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  • 1. Abbasalizadeh, A.
    et al.
    Sridar, S.
    Chen, Z.
    Sluiter, M.
    Yang, Y.
    Sietsma, J.
    Seetharaman, Seshadri
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Hari Kumar, K. C.
    Experimental investigation and thermodynamic modelling of LiF-NdF3-DyF3 system2018Ingår i: Journal of Alloys and Compounds, ISSN 0925-8388, E-ISSN 1873-4669, Vol. 753, s. 388-394Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Electrolysis of molten fluorides is one of the promising methods for the recovery and recycling of rare earth metals from used magnets. Due to the dearth of phase equilibria data for molten fluoride systems, thermodynamic modelling of LiF-DyF3-NdF3 system using the CALPHAD approach was carried out. Gibbs energy modelling for LiF-NdF3 and LiF-DyF3 systems was performed using the constitutional data from literature. Ab initio calculations were used to obtain enthalpy of reaction of LiDyF4, an intermediate phase that is found to exist in the LiF-DyF3 system. Differential thermal analysis was carried out for selected compositions in the NdF3-DyF3 system, in order to determine liquidus and solidus temperatures. The Gibbs energy parameters for the limiting binaries determined in this work is used for modelling the Gibbs energy functions of equilibrium phases in the ternary system. Selected compositions of LiF-NdF3-DyF3 were subjected to DTA in order to validate the calculated phase temperatures involving melt.

  • 2.
    Abbasi, Saeed
    KTH, Skolan för industriell teknik och management (ITM), Maskinkonstruktion (Inst.), Maskinelement. KTH, Skolan för teknikvetenskap (SCI), Centra, Järnvägsgruppen, JVG.
    Characterisation of airborne particles from rail traffic2011Licentiatavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    Since the investigation of wear particles in rail transport started in late-1910s, the high mass concentration of these particles has raised worries among researchers concerned with air quality. However, effective action has yet to be taken because of lack of relevant knowledge. This thesis provides applicable information for the airborne wear particles in rail transport. Some aspects of their characteristics such as diameter size, mass concentration, number concentration, and morphology of particles were investigated in field tests and laboratory tests.The effects on particle characterisations from different operational conditions in the field tests, and applying different braking materials, conducting tests in different applied loads or sliding velocities in the laboratory tests were studied. The main advantage of conducting laboratory tests was to focus on studying particles from one source. The possibility of repetition, using high sensitive instruments and conducting tests at low costs are the other advantages of laboratory studies. Paper A describes how a pin-on-disc machine was used to reproduce similar real operational conditions during mechanical braking in a train. The results were validated by comparing the field tests results with the laboratory studies. The particles morphology and size distribution were also studied.Paper B presents a summary of field tests results. The effects of curve negotiating and applying braking in different real conditions were investigated with an on-board measurement.The element composition of the particles and their potential sources were also investigated outside of the particles morphologies.Paper C presents comprehensive results from laboratory studies on airborne particles from different braking materials. The differences in the particle characteristics in similar test conditions were attributable to different material compositions and dominant wear mechanisms. A new index was introduced in this paper and is suggested to be used as a qualitative factor with regard to the airborne wear particle emission rate.Paper D is a review of the recent studies of exhaust emission and non-exhaust emission from rail vehicles. A summary of results, measurements, adverse health effects, and proposed or applied solutions are reviewed in this paper.

  • 3.
    Adolfi, Sofia
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Slag inclusion formation during solidification of steel alloys and in cast iron2007Licentiatavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    This thesis explores the formation of segregation and inclusions during solidification of steel and cast iron. A better understanding of the formation mechanism should result in decreasing fraction of defects during solidification of ingot and strand material.

    Density driven macrosegregation was studied both experimentally and theoretically to see the effect of channel segregation on the total segregation. Formation of these pencil-like segregations is due to natural convection in the solidifying metal caused by liquid enrichment of elements with lower density compared to the bulk. It is suggested to change the composition to compensate for this density difference.

    Inclusion precipitation can be finite by limitations in segregation. Saturated liquid is found in the last solidified areas, often between dendrites. Here the enrichment of the liquid is possible due to microsegregation. Meanwhile crystals form and solidify the elements with low solubility in the solid is pushed out in the remaining liquid. Soon the liquid is saturated to the level where spontaneous formation of inclusions occurs. Microstructure studies by aid of SEM and micro-probe measurements are analysed to find at what point during solidification process the inclusions start to form. In steel making this formation has a detrimental effect on the mechanical properties in contrary to the production of nodular cast iron where the inclusions have a beneficial effect on the graphite formation.

    Inoculation of cast iron aims at reaching higher number density of graphite nodules, nodule morphology modification and control of nodule distribution during solidification. Late precipitation of nucleation sites has shown to have a positive impact on preventing chill. To find the most potent inoculation agent different additives were tested. Special effort has been made to analyse the effect of oxides and sulphides as nucleation sites.

  • 4.
    Agde Tjernlund, Jessica
    KTH, Skolan för teknikvetenskap (SCI), Hållfasthetslära (Inst.), Hållfasthetslära (Avd.).
    Length-scale effects in yielding and damage development in polymer materials2005Licentiatavhandling, sammanläggning (Övrigt vetenskapligt)
  • 5.
    Agde Tjernlund, Jessica
    et al.
    KTH, Skolan för teknikvetenskap (SCI), Hållfasthetslära (Inst.).
    Gamstedt, Kristofer
    KTH, Skolan för teknikvetenskap (SCI), Hållfasthetslära (Inst.).
    Gudmundson, Peter
    KTH, Skolan för teknikvetenskap (SCI), Hållfasthetslära (Inst.).
    Length-scale effects on damage development in tensile loading of glass-sphere filled epoxy2006Ingår i: International Journal of Solids and Structures, ISSN 0020-7683, E-ISSN 1879-2146, Vol. 43, nr 24, s. 7337-7357Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Particle-reinforced polymers are widely used in load-carrying applications. The effect of particle size on damage development in the polymer is still relatively unexplored. In this study, the effect of glass-sphere size on the damage development in tensile loaded epoxy has been investigated. The diameter of the glass spheres ranged from approximately 0.5-50 mu m. The first type of damage observed was debonding at the sphere poles, which subsequently grew along the interface between the glass spheres and epoxy matrix. These cracks were observed to kink out into the matrix in the radial direction perpendicular to the applied load. The debonding stresses increased with decreasing sphere diameter, whereas the length to diameter ratio of the resulting matrix cracks increased with increasing sphere diameter. These effects could not be explained by elastic stress analysis and linear-elastic fracture mechanics. Possible explanations are that a thin interphase shell may form in the epoxy close to the glass spheres, and that there is a length-scale effect in the yield process which depends on the strain gradients. Cohesive fracture processes can contribute to the influence of sphere size on matrix-crack length. Better knowledge on these underlying size-dependent mechanisms that control damage development in polymers and polymer composites is useful in development of stronger materials. From a methodology point of view, the glass-sphere composite test can be used as an alternative technique (although still in a qualitative way) to hardness vs. indentation depth to quantify length-scale effects in inelastic deformation of polymers.

  • 6.
    Agde Tjernlund, Jessica
    et al.
    KTH, Tidigare Institutioner, Hållfasthetslära.
    Gamstedt, Kristofer
    KTH, Tidigare Institutioner, Hållfasthetslära.
    Xu, Zhi-Hui
    KTH, Tidigare Institutioner, Materialvetenskap.
    Influence of molecular weight on strain-gradient yielding in polystyrene2004Ingår i: Polymer Engineering and Science, ISSN 0032-3888, E-ISSN 1548-2634, Vol. 44, nr 10, s. 1987-1997Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Experimental observations have indicated that the presence of strain gradients has an influence on the inelastic behavior of polymers as well as in other materials such as ceramics and metals. The present study has experimentally quantified length-scale effects in inelastic deformations of the polymer material polystyrene (PS) with respect to the molecular length. The experimental technique that has been used is nano-indentation to various depths with a Berkovich indenter. The hardness has been calculated with the method by Oliver and Pharr, and also by direct measurements of the area from atomic force microscopy. The experiments showed that the length-scale effects in inelastic deformations exist in polystyrene at ambient conditions. The direct method gave a smaller hardness than the Oliver-Pharr method. It was also shown that the length-scale parameter according to Nix and Gao increases with increasing molecular weight. For high molecular weights above a critical value of entanglement, there was no pertinent increase in the length-scale parameter. The length-scale parameter for strain-gradient plasticity has a size of around 0.1 μm for polystyrene.

  • 7.
    Akbarnejad, Shahin
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Investigation on static strength of welded joints2012Självständigt arbete på avancerad nivå (masterexamen), 20 poäng / 30 hpStudentuppsats (Examensarbete)
    Abstract [en]

    Although high strength steels represent yield strength up to 1300 MPa, welded structures reveal lowerstrength values. The strongest commercially available electrode provides the yield strength of about900 MPa. Therefore, in welded steels with strength above this type of filler metal, achieving anacceptable global strength is a crucial issue.

    In this master thesis, affects of different welding procedures on static strength of welded jointsof Weldox 960 and Weldox 1100 steels, were studied. These steels are produced by SSAB inOxelösund. Meanwhile, finite element method analyses were applied in order to investigatethe static strength behavior of such weldments under uniaxial tension.

    The welding parameters which were selected as variables are:

    •  Heat input
    • Weld joint geometry
    • Filler metal

    When weld metal is undermatching in strength levels than the base material, by applyingtension the soft weld metal begins to deform before parent metal. At that point thedeformation of resulted soft zone, including the weld metal and the heat affected zone, ishindered by high strength parent metal. Thus, uniaxial stress caused by uniaxial load isconverted to multiaxial stress. This conversion in tension results in increase in the staticstrength of weldment. The increase in strength is emphasized by increase in the width of thewelded joint while the thickness of the plate is kept as constant.

    After experiments and performing FEM studies, it was revealed that the static strength ofWeldox 960 welded joints approaches towards the tensile strength of parent metal by increasein the width of the weldment. In Weldox 1100 joints; a slight increase in tensile properties ofthe weldments, when the width of the sample increases, was observed.

  • 8.
    Akhtar, Suleman
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Material Factors Influencing Crack Initiation and Propagation During Seamless Tube Rolling of Low Carbon Steel Grades2015Självständigt arbete på avancerad nivå (masterexamen), 20 poäng / 30 hpStudentuppsats (Examensarbete)
    Abstract [en]

    Lower hot ductility can lead to cracks in steels. Hot ductility is affected by grain boundary sliding at temperatures higher than A3 and by the presence of thin films of ferrite at grain boundaries at temperatures lower than A3. Grain boundary sliding might occur because of the segregation of harmful elements like sulphur, etc. While thin films of ferrite at grain boundaries lead to easy interlinking of MnS precipitates at grain boundaries and ultimately may cause cracks in the material. Also, stress concentration is higher at thin ferrite films at grain boundaries which for being softer as compared to austenite matrix lead to cracks in the material. Elongated  (Fe, Mn)S sulphides are more detrimental for the hot ductility as compared to round ones. Higher aspect ratio of the precipitates is also dependent on sulphur content. The higher the sulphur content, the higher would be the hot ductility. Silicon, being a ferrite stabilizer, causes the volume fraction of ferrite to increase which improves the hot ductility of the steels. Hot ductility can be improved by adding Boron that segregates to grain boundaries instead of sulphur improving the strength of grain boundaries. Increasing silicon content can lead to higher volume fraction of ferrite thus improving ductility because stress would uniformly be distributed across the grain and not merely on the grain boundaries. Apart from that, decreasing the solution treatment temperature and increasing holding time on solution treatment temperature can lead to lower dissolved content of sulphur and coarser MnS precipitates hence improving hot ductility. 

  • 9. Alemani, Mattia
    et al.
    Gialanella, S.
    Straffelini, G.
    Ciudin, R.
    Olofsson, Ulf
    KTH, Skolan för industriell teknik och management (ITM), Maskinkonstruktion (Inst.).
    Perricone, G.
    Metinoz, I.
    Dry sliding of a low steel friction material against cast iron at different loads: Characterization of the friction layer and wear debris2017Ingår i: Wear, ISSN 0043-1648, E-ISSN 1873-2577, Vol. 376-377, s. 1450-1459Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Pin-on-disc testing was used to investigate the sliding behavior and the wear products of a low-steel friction material against a cast iron disc at different applied loads, to investigate the effect of the temperature rise induced by frictional heating. The testing rig was operated in a clean chamber with a purified incoming air flux. The outgoing flux carries the wear particles to an impactor that counted and sorted them by average diameter and weight. At increasing applied loads, corresponding to a proportional increase of the pin-disc contact temperature, the coverage of both the pin and disc surface by a friction layer was found to increase too. The relevant X-Ray diffraction patterns revealed the presence of a large amount of graphite and different compounds originating from the friction material and from the counterface disc, mainly iron oxides, as concerns this latter. After the test at the lowest investigated load, i.e., 1 kg, the disc worn surface exhibited abrasive grooves and a discontinuous friction layer mainly made of compacted iron oxide particles. After the test at higher loads, i.e., 5 and 7 kg, the disc surface was covered by a compact friction layer. As concerns the friction layer on the pins, most of the ingredients from the friction material were detected, in association with the iron oxides from the disc. These results can be interpreted in terms of the temperature stability range of the phenolic resin used as a binder of the friction material. The characterization of the collected airborne wear debris showed that the particles produced by the low temperature (i.e., low load) test were mostly equiaxed; whereas those produced by the high temperature (i.e., high loads) tests, predominantly displayed a plate-like morphology. The mechanisms of their formation in relation to the characteristics of the friction layers are illustrated and discussed.

  • 10.
    Ali, Rashid
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Tillämpad termodynamik och kylteknik.
    Palm, Björn E.
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Tillämpad termodynamik och kylteknik.
    Maqbool, Mohammad H.
    KTH, Skolan för industriell teknik och management (ITM), Energiteknik, Tillämpad termodynamik och kylteknik.
    A Visualization Study During Flow Boiling of R134a In A Horizontal Microchannel2010Ingår i: ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels Collocated with 3rd Joint US-European Fluids Engineering Summer Meeting, ICNMM2010, 2010, s. 85-94Konferensbidrag (Refereegranskat)
    Abstract [en]

    In this paper, the experimental flow boiling visualization results of a microchannel are presented and discussed. A series of visualization experiments have been conducted in a horizontal, circular, uniformly heated microchannel, to record the two-phase flow patterns evolved during the boiling process and to study the ebullition process. A high speed camera (REDLAKE HG50LE) with a maximum of 100000 fps together with tungsten lights was used to capture the images along the test section. Microchannel was made of circular fused silica tube having an internal diameter of 0.781 mm and a uniformly heated length of 191 mm. Outside of the test tube was coated with a thin, electrically conductive layer of Indium Tin Oxide (ITO) for direct heating of the test section. Refrigerant R134a was used as working fluid and experiments were performed at two different system pressures corresponding to saturation temperatures of 25 degrees C and 30 degrees C. Mass flux was varied from 100 kg/m(2)s to 400 kg/m(2)s and heat flux ranged from 5 kW/m(2) to 45 kW/m(2). Visualization results show that the bubble growth is restricted by the tube diameter which results in very short existence of isolated bubbly flow regime except essentially restricted to a very short length of test tube. Flow patterns observed along the length were: Isolated bubble, elongated bubble, slug flow, semi annular and annular flow. Rigorous boiling and increased coalescence rates were observed with increase in heat flux. Bubble frequency was observed to increase with both heat and mass flux. A comparison with our previous flow boiling visualization studies, carried out for a test tube of 1.33 mm internal diameter, shows that the number of active nucleation sites is less while the bubble frequency is higher for the current study. Mean bubble length and bubble velocity during elongated bubble flow pattern have also been calculated from the images obtained during the tests.

  • 11.
    Andrén, Peter
    KTH, Skolan för arkitektur och samhällsbyggnad (ABE), Byggvetenskap.
    Development and results of the Swedish road deflection tester2006Licentiatavhandling, monografi (Övrigt vetenskapligt)
    Abstract [en]

    A project to construct a high-speed road deflection tester was initiated in the 1991. A mid-sized truck was used as a carrier for the first prototype. The results were promising and it was decided to build a full-size truck system. The new vehicle, based on a Scania R143 ML, was completed in 1997.

    The Road Deflection Tester (RDT) is equipped with two arrays of twenty noncontact laser sensors that collects transversal surface profiles at normal traffic speeds. One profile, placed between the wheel axles, constitutes an unloaded case. The other profile, just behind the rear axle of the vehicle, constitutes the loaded case. By subtracting the front cross profile from the corresponding rear one, the "deflection profile" is assessed. The deflection is assumed to vary with the stiffness of the road.

    In order to produce a large load on the rear wheels the engine was mounted in the back of the vehicle, slightly behind the rear axle. In testing mode the rear axle force is approximately 112 kN, and the front axle force is about 30 kN. An incremental wheel pulse transducer, two force transducers and two accelerometers, an optical speedometer and a gyroscope are also mounted on the RDT.

    The first test programme was carried out in 1998. Due to the careful choice of test sections, data from these sections still produce the best results. A smaller test programme was carried out in 2001, and a larger one in 2002 when the RDT was taken to England and France for demonstration. Promising results, both on an aggregated scale and for individual test sections, have been obtained. The RDT compares favourably with the Falling Weight Deflectometer.

    Short histories of road construction and road research give some historical and cultural background to the more recent developments. A more comprehensive history of rolling deflectographs presents all devices found in the literature from the start in the mid-fifties when the California Traveling Deflectograph and Lacroix Deflectograph were constructed, to the latest laser based High-Speed Deflectograph. Many references are given for further reading.

    The data acquisition hardware on the RDT system consist of sensors, signal converters, signal processing cards, an industrial computer for data communication, and an ordinary PC for operating the equipment and data storage. The software used to evaluate the data is written entirely in Matlab. Many levels of pre-processing make evaluation relatively fast, and the modularised design makes it easy to implement new evaluation algorithms in a clean and efficient way.

    A literature survey on the deformations of solids under static and moving load is presented in Appendix A. The static case started with Boussinesq in 1885, was much developed in the sixties, but since the eighties only a very limited amount of new results have been published. The moving load case, on the other hand, is still an field of active research and development.

  • 12.
    Anghel, Clara
    KTH, Tidigare Institutioner, Materialvetenskap.
    Studies of transport in oxides on Zr-based materials2004Licentiatavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    Zr-based materials have found their main application in the nuclear field having high corrosion resistance and low neutron absorption cross-section. The oxide layer that is formed on the surface of these alloys is meant to be the barrier between the metal and the corrosive environment. The deterioration of this protective layer limits the lifetime of these alloys. A better understanding of the transport phenomena, which take place in the oxide layer during oxidation, could be beneficial for the development of more resistant alloys.

    In the present study, oxygen and hydrogen transport through the zirconia layer during oxidation of Zr-based materials at temperatures around 400C have been investigated using the isotope-monitoring techniques Gas Phase Analysis and Secondary Ion Mass Spectrometry. The processes, which take place at oxide/gas and oxide/metal interface, in the bulk oxide and metal, have to be considered in the investigation of the mechanism of hydration and oxidation. Inward transport of oxygen and hydrogen species can be influenced by modification of the surface properties. We found that CO molecules adsorbed on Zr surface can block the surface reaction centers for H2 dissociation, and as a result, hydrogen uptake in Zr is reduced. On the other hand, coating the Zr surface with Pt, resulted in increased oxygen dissociation rate at the oxide/gas interface. This generated enhanced oxygen transport towards the oxide/metal interface and formation of thicker oxides. Our results show that at temperatures relevant for the nuclear industry, oxygen dissociation efficiency decreases in the order: Pt > Zr2Fe > Zr2Ni > ZrCr2 ≥ Zircaloy-2.

    Porosity development in the oxide scales generates easy diffusion pathways for molecules across the oxide layer during oxidation. A novel method for evaluation of the gas diffusion, gas concentration and effective pore size of oxide scales is presented in this study. Effective pore sizes in the nanometer range were found for pretransition oxides on Zircaloy-2.

    A mechanism for densification of oxide scales by obtaining a better balance between inward oxygen and outward metal transport is suggested. Outward Zr transport can be influenced by the presence of hydrogen in the oxide/metal substrate. Inward oxygen transport can be promoted by oxygen dissociating elements such as Fe-containing second phase particles. The results suggest furthermore that a proper choice of the second-phase particle composition and size distribution can lead to the formation of dense oxides, which are characterized by low oxygen and hydrogen uptake rates during oxidation.

  • 13.
    Arif, Muhammad Jalil
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    High Temperature Air/Steam Gasification (HTAG) Of Biomass – Influence of Air/Steam flow rate in a Continuous Updraft Gasifier2013Självständigt arbete på avancerad nivå (masterexamen), 20 poäng / 30 hpStudentuppsats (Examensarbete)
    Abstract [en]

    Biomass is an important source of energy and the most important fuel worldwide after coal, oil and natural gas. Biomass does not add carbon dioxide to the atmosphere as it absorbs the same amount of carbon in growing as it releases when consumed as a fuel. Its advantage is that it can be used to generate electricity with the same equipment or power plants that are now burning fossil fuels. However, the low energy density of the biomass requires developments and advances in conversion technologies in order to increase process efficiency and reduce pollution. One of the most promising converting methods for treatment of biomass and waste feedstock is gasification. In this study a highly preheated air/steam of temperatures >800oC is introduced to the gasifier which is fed with wood pellets’ feeding rate 40-50 kg/h.

    The system is redesigned to work as a continuous type updraft HTAG. The aim of the studies was to test the performance of an Updraft configuration in various operating conditions using Biomass (wood pellets) as the feedstock, and facing primarily technological difficulties and process limitations. Determining the Temperature distribution along the reactor and synthesis gas composition of the process are reported for various operating parameters.

    During the experiment it is observed that the introduction of more steam flow rate increases the LHV (lower heating value) of the synthesis gases. Three case studies (Case1, Case2, and Case3) are conducted, each case having different biomass feeding rate, steam flow rate and process air flow rate. The result show that the amount of LHV of gas varied from 3 to 4.2 MJ/Nm3, the H2: CO ratio is between 0.5-0.9 and the CO/CO2 ratio has range 1.0-1.7.  Case 3, in which 40 kg/h biomass feeding rate and 80 kg/h Steam flow rate is maintained gives High LHV, high H2/CO ratio and more CO/CO2 ratio among the rest case studies.

    Further improvement can be done within the reactor, increase in retention time and variation of more parameters can examine, in order to get the optimum result in future.

  • 14.
    Asplund, Maria
    KTH, Skolan för teknik och hälsa (STH), Neuronik.
    Conjugated Polymers for Neural Interfaces: Prospects, possibilities and future challenges2009Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    Within the field of neuroprosthetics the possibility to use implanted electrodes for communication with the nervous system is explored. Much effort is put into the material aspects of the electrode implant to increase charge injection capacity, suppress foreign body response and build micro sized electrode arrays allowing close contact with neurons. Conducting polymers, in particular poly(3,4-ethylene dioxythiophene) (PEDOT), have been suggested as materials highly interesting for such neural communication electrodes. The possibility to tailor the material both mechanically and biochemically to suit specific applications, is a substantial benefit with polymers when compared to metals. PEDOT also have hybrid charge transfer properties, including both electronic and ionic conduction, which allow for highly efficient charge injection.

     

    Part of this thesis describes a method of tailoring PEDOT through exchanging the counter ion used in electropolymerisation process. Commonly used surfactants can thereby be excluded and instead, different biomolecules can be incorporated into the polymer. The electrochemical characteristics of the polymer film depend on the ion. PEDOT electropolymerised with heparin was here determined to have the most advantageous properties. In vitro methods were applied to confirm non-cytotoxicity of the formed PEDOT:biomolecular composites. In addition, biocompatibility was affirmed for PEDOT:heparin by evaluation of inflammatory response and neuron density when implanted in rodent cortex.

     

    One advantage with PEDOT often stated, is its high stability compared to other conducting polymers. A battery of tests simulating the biological environment was therefore applied to investigate this stability, and especially the influence of the incorporated heparin. These tests showed that there was a decline in the electroactivity of PEDOT over time. This also applied in phosphate buffered saline at body temperature and in the absence of other stressors. The time course of degradation also differed depending on whether the counter ion was the surfactant polystyrene sulphonate or heparin, with a slightly better stability for the former.

     

    One possibility with PEDOT, often overlooked for biological applications, is the use of its semi conducting properties in order to include logic functions in the implant. This thesis presents the concept of using PEDOT electrochemical transistors to construct textile electrode arrays with in-built multiplexing. Using the electrolyte mediated interaction between adjacent PEDOT coated fibres to switch the polymer coat between conducting and non conducting states, then transistor function can be included in the conducting textile. Analogue circuit simulations based on experimentally found transistor characteristics proved the feasibility of these textile arrays. Developments of better polymer coatings, electrolytes and encapsulation techniques for this technology, were also identified to be essential steps in order to make these devices truly useful.

     

    In summary, this work shows the potential of PEDOT to improve neural interfaces in several ways. Some weaknesses of the polymer and the polymer electronics are presented and this, together with the epidemiological data, should point in the direction for future studies within this field.

  • 15.
    Asplund, Maria
    et al.
    KTH, Skolan för teknik och hälsa (STH), Neuronik.
    von Holst, Hans
    KTH, Skolan för teknik och hälsa (STH), Neuronik.
    Inganäs, Olle
    Composite biomolecule/PEDOT materials for neural electrodes2008Ingår i: Biointerphases, ISSN 1559-4106, Vol. 3, nr 3, s. 83-93Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Electrodes intended for neural communication must be designed to meet boththe electrochemical and biological requirements essential for long term functionality. Metallic electrode materials have been found inadequate to meet theserequirements and therefore conducting polymers for neural electrodes have emergedas a field of interest. One clear advantage with polymerelectrodes is the possibility to tailor the material to haveoptimal biomechanical and chemical properties for certain applications. To identifyand evaluate new materials for neural communication electrodes, three chargedbiomolecules, fibrinogen, hyaluronic acid (HA), and heparin are used ascounterions in the electrochemical polymerization of poly(3,4-ethylenedioxythiophene) (PEDOT). The resultingmaterial is evaluated electrochemically and the amount of exposed biomoleculeon the surface is quantified. PEDOT:biomolecule surfaces are also studiedwith static contact angle measurements as well as scanning electronmicroscopy and compared to surfaces of PEDOT electrochemically deposited withsurfactant counterion polystyrene sulphonate (PSS). Electrochemical measurements show that PEDOT:heparinand PEDOT:HA, both have the electrochemical properties required for neuralelectrodes, and PEDOT:heparin also compares well to PEDOT:PSS. PEDOT:fibrinogen isfound less suitable as neural electrode material.

  • 16.
    Assuncao, Milton
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Mathematical modelling of vanadium redox batteriesSjälvständigt arbete på avancerad nivå (masterexamen), 20 poäng / 30 hpStudentuppsats (Examensarbete)
    Abstract [en]

    Mathematical modelling using differential equations is an important tool to predict the behaviorof vanadium redox batteries, since it may contribute to improve the device performance and leadto a better understanding of the principles of its operation. Modelling can be complementedby asymptotic analysis as a mean to promote reductions or simplifications that make modelsless complex. Such simplifications are useful in this context, whereas these models usuallyaddresses one cell only – the smallest operating unit – while real applications demand tensor hundreds cells implying on larger computational requirements. In this research, severaloptions for asymptotic reductions were investigated and, applied to different models, were ableto speed up the processing time in 2.46× or reduce the memory requirements up to 11.39%. Thecomputational simulations were executed by COMSOL Multiphysics v.4.4, also by in-housecode developed in MATLAB. The validation of results was done by comparing it to experimentalresults available in literature. Additionally, correlating the results provided by COMSOL withthe ones arising from the implemented sub-routines allowed to validate the developed algorithm.Key-words:

  • 17. Ayedh, H. M.
    et al.
    Iwamoto, N.
    Nipoti, R.
    Hallén, Anders
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Elektronik, Integrerade komponenter och kretsar.
    Svensson, B. G.
    Formation of D-Center in p-type 4H-SiC epi-layers during high temperature treatments2017Ingår i: 11th European Conference on Silicon Carbide and Related Materials, ECSCRM 2016, Trans Tech Publications Inc., 2017, Vol. 897, s. 262-265Konferensbidrag (Refereegranskat)
    Abstract [en]

    The current work is devoted to studying the evolution of deep level defects in the lower half of the 4H-SiC bandgap after high temperature processing and ion implantation. Two as-grown and pre-oxidized 4H-SiC sets of samples have been thermally treated at temperatures up to 1950 °C for 10 min duration using RF inductive heating. Another set of as grown samples was implanted by 4.2 MeV Si ions at room temperature (RT) with different doses (1- 4×108 cm-2). The so-called “D-center” at EV+0.6 eV dominates and forms after the elevated heat treatments, while it shows no change after the ion implantations (EV denotes the valence band edge). In contrast, the concentration of the so-called HK4 level at EV+1.44 eV increases with the implantation dose, whereas it anneals out after heat treatment at ≥ 1700 °C.

  • 18. Baev, A.
    et al.
    Welinde, P.
    Erlandsson, R.
    Henriksson, J.
    Norman, P.
    Ågren, Hans
    KTH, Skolan för bioteknologi (BIO), Teoretisk kemi (stängd 20110512).
    Light-matter interaction of strong laser pulses in the micro-, nano-, and picosecond regimes2007Ingår i: Hybrid functional materials for optical applications, Materials Research Society, 2007, s. 12-29Konferensbidrag (Refereegranskat)
    Abstract [en]

    Light propagation in a medium is sensitively dependent on the shape and intensity of the optical pulse as well as on the electronic and vibrational structure of the basic molecular units. We review in this paper results of systematic studies of this problem for isotropic media. Our theoretical approach-the quantum mechanical-electrodynamical (QMED) approach-is based on a quantum mechanical account of the many-level electron-nuclear medium coupled to a numerical solution of the density matrix and Maxwell s equations. This allows to accommodate a variety of nonlinear effects which accomplish the propagation of strong light pulses. Particular attention is paid to the understanding of the role of coherent and sequential excitations of electron-nuclear degrees of freedom. The QMED combination of quantum chemistry with classical pulse propagation allows to estimate the optical transmission from cross sections of multi-photon absorption processes and from considerations of propagation effects, saturation and pulse effects. Results of the theory suggest that in the nonlinear regime it is often necessary to account simultaneously for coherent one-step and incoherent step-wise multi-photon absorption, as well as for off-resonant excitations even when resonance conditions prevail. The dynamic theory of nonlinear propagation of a few interacting intense light pulses is here highlighted in a study of the optical power limiting with platinum-organic molecular compounds.

  • 19.
    Bagampadde, Umaru
    et al.
    Makerere University, Kampala.
    Karlsson, R.
    KTH.
    Laboratory studies on stripping at bitumen/substrate interfaces using FTIR-ATR2007Ingår i: Journal of Materials Science, ISSN 0022-2461, E-ISSN 1573-4803, Vol. 42, nr 9, s. 3197-3206Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    A technique based on Fourier Transform Infrared Spectroscopy-Attenuated Total Reflectance (FTIR-ATR) was developed and used to study movement of water into bitumen/substrate interfaces, as well as to characterize stripping. Bitumens from different sources were used and applied on various substrates (silicon, germanium and zinc selenide) as thin films. The influence of bitumen type, substrate type, temperature, film thickness and modification with amines, on water damage was studied. The technique gave information on water flow into interfaces and how stripping possibly occurs. It distinguished between stripping and non-stripping bitumens. At least one of three processes occurred, namely water diffusion, film fracture, and bitumen displacement by water, respectively. The diffusion of water did not obey Fick's law. Stripping was influenced by bitumen source when silicon and germanium substrates were used. Notching the films made the process of water entry almost occur immediately. Additives significantly reduced stripping in the moisture-sensitive bitumen on silicon and germanium substrates, even after film notching. Although, good agreement was observed between tests for the bitumens that did not strip, the tests on stripping bitumens showed poor agreement.

  • 20.
    Baghsheikhi, Saeed
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Metallografi.
    Spinodal Decomposition in the Binary Fe-Cr System2009Självständigt arbete på avancerad nivå (masterexamen), 30 poäng / 45 hpStudentuppsats (Examensarbete)
    Abstract [en]

    Spinodal decomposition is a phase separation mechanism within the miscibility gap. Its importance in case of Fe-Cr system, the basis of the whole stainless steel family, stems from a phenomenon known as the “475oC embrittlement” which results in a ruin of mechanical properties of ferritic, martensitic and duplex stainless steels. This work is aimed at a better understanding of the phase separation process in   the Fe-Cr system.

    Alloys of 10 to 55 wt.% Cr , each five percent, were homogenized to achieve fully ferritic microstructure and then isothermally aged at 400, 500 and 600oC for different periods of time ranging from 30min to 1500 hours. Hardness of both homogenized and aged samples were measured by the Vickers micro-hardness method and then selected samples were studied by means of Transmission Electron Microscopy (TEM).

     It was observed that hardness of homogenized samples increased monotonically with increasing Cr content up to 55 wt.% which can be attributed to solution hardening as well as higher hardness of pure chromium compared to pure iron.  At 400oC no significant change in hardness was detected for aging up to 1500h, therefore we believe that phase separation effects at 400oC are very small up to this time. Sluggish kinetics is imputed to lower diffusion rate at lower temperatures. At 500oC even after 10h a noticeable change in hardness, for alloys containing 25 wt.% Cr and higher, was observed which indicates occurrence of phase separation. The alloy with 10 wt.% Cr did not show change in hardness up to 200h which suggests that this composition falls outside the miscibility gap at 500oC. For compositions of 15 and 20 wt.% Cr only a small increase in hardness was detected even after 200h of aging at 500oC, which could be due to the small amounts of α´ formed. However, it means that alloys of 15 wt.% Cr and higher are suffering phase separation. For compositions inside the miscibility gap, hardening effect is a result of phase separation either by nucleation and growth or spinodal decomposition. To distinguish between these two mechanisms, TEM studies were performed and we found evidence that at 500oC the Fe-25 wt.% Cr sample decomposes by nucleation  and growth  while that of 35 wt.% Cr  shows characteristics of the spinodal mechanism. For compositions inside the miscibility gap, with increasing Cr content up to 40% the change in hardness generally increased and for 45% and higher it always decreased. This suggests that the composition range corresponding to the spinodal region at 500oC is biased towards the Fe-rich side of the phase diagram. At 600oC only samples of 25, 30 and 35 wt.% Cr were studied because according to the previous studies, the spinodal boundary is most probably located in this composition range. However, no change in hardness was observed even up to 24h. We believe that this means the miscibility line lies below 600oC for alloys containing 35 wt.% Cr and lower. Further investigations are needed to confirm and explain this result. 

  • 21. Baron-Wiechec, A.
    et al.
    Widdowson, A.
    Alves, E.
    Ayres, C. F.
    Barradas, N. P.
    Brezinsek, S.
    Coad, J. P.
    Catarino, N.
    Heinola, K.
    Likonen, J.
    Matthews, G. F.
    Mayer, M.
    Petersson, Per
    KTH, Skolan för elektro- och systemteknik (EES), Fusionsplasmafysik.
    Rubel, Marek
    KTH, Skolan för elektro- och systemteknik (EES), Fusionsplasmafysik.
    van Renterghem, W.
    Uytdenhouwen, I.
    Global erosion and deposition patterns in JET with the ITER-like wall2015Ingår i: Journal of Nuclear Materials, ISSN 0022-3115, E-ISSN 1873-4820, Vol. 463, s. 157-161Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    A set of Be and W tiles removed after the first ITER-like wall campaigns (JET-ILW) from 2011 to 2012 has been analysed. The results indicate that the primary erosion site is in the main chamber (Be) as in previous carbon campaigns (JET-C). In particular the limiters tiles near the mid-plane are eroded probably during the limiter phases of discharges. W is found at low concentrations on all plasma-facing surfaces of the vessel indicating deposition via plasma transport initially from the W divertor and from main chamber W-coated tiles; there are also traces of Mo (used as an interlayer for these coatings). Deposited films in the inner divertor have a layered structure, and every layer is dominated by Be with some W and O content.

  • 22.
    Barsoum, Imad
    KTH, Skolan för teknikvetenskap (SCI), Hållfasthetslära (Inst.), Hållfasthetslära (Avd.).
    Ductile failure and rupture mechanisms in combined tension and shear2006Licentiatavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    This licentiate thesis is generally concerned with the ductile failure and rupture mechanisms encountered under combined tension and torsion loading. In the first part entitled Paper A, an experimental investigation of the rupture mechanisms in a mid-strength and a high strength steel was conducted employing a novel test configuration. The specimen used was a double notched tube specimen loaded in combined tension and torsion at a fixed ratio. The effective plastic strain, the stress triaxiality and the Lode parameter was determined in the centre of the notch at failure. Scanning electron microscopy of the fractured surfaces revealed two distinctively different ductile rupture mechanisms depending on the stress state. At high stress triaxiality the fractured surfaces were covered with large and deep dimples, suggesting that growth and internal necking of voids being the governing rupture mechanism. At low triaxiality it was found that the fractured surfaces were covered with elongated small shear dimples, suggesting internal void shearing being the governing rupture mechanism. In the fractured surfaces of the high-strength steel, regions with quasi-cleavage were also observed. The transition from the internal necking mechanism to the internal shearing mechanism was accompanied by a significant drop in ductility.

    In the second part entitled Paper B, a micromechanics model based on the theoretical framework of plastic localization into a band introduced by Rice is developed. The model employed consists of a planar band with a square array of equally sized cells, with a spherical void located in the centre of each cell. The periodic arrangement of the cells allows the study of a single unit cell for which fully periodic boundary conditions are applied. The micromechanics model is applied to analyze failure by ductile rupture in experiments on double notched tube specimens subjected to combined tension and torsion carried out by the present authors. The stress state is characterized in terms of the stress triaxiality and the Lode parameter. Two rupture mechanisms can be identified, void coalescence by internal necking at high triaxiality and void coalescence by internal shearing at low triaxiality. For the internal necking mechanism, failure is assumed to occur when the deformation localizes into a planar band and is closely associated with extensive void growth. For the internal shearing mechanism, a simple criterion based on the attainment of a critical value of shear deformation is utilized. The two failure criteria capture the transition between the two rupture mechanisms successfully and are in good agreement with the experimental result.

  • 23.
    Baykov, Vitaly
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Point defect interactions and structural stability of compounds2007Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    Theoretical studies of point defect interactions and structural stability of compounds have been performed using density functional theory. The defect-related properties, such as activation energy of diffusion, electronic and magnetic structure of selected materials have been studied.

    The major part of the present work is devoted to a very important material for semiconductor industry, GaAs. The formation energies of intrinsic point defects and the solution energies of 3d transitions in GaAs have been calculated from first principles. Based on the calculated energies, we analysed the site preference of defects in the crystal. The tendency of defects to form clusters has been investigated for the intrinsic defects as well as for impurities in GaAs. The magnetic moment of 3d impurities has been calculated as a function of the chemical environment. The possibility of increasing the Curie temperature in (Ga,Mn)As by co-doping it with Cr impurities has been examined on the basis of calculated total energy difference between the disordered local moment and the ferromagnetically ordered spin configurations. We found that, in order to reach the highest critical temperature, GaAs should be separately doped with either Cr or Mn impurities. Also, we have shown that diffusion barrier of interstitial Mn depends on the charge state of this impurity in (Ga, Mn)As. The formation of defect complexes between interstitial and substitutional Mn atoms, and their influence on the value of diffusion barrier for interstitial Mn, has been studied.

    The pair interactions energies between interstitial oxygen atoms in hcp Zr, Hf and Ti have been calculated using first principles. Based on the calculated energies, the oxygen ordering structures in IVB transition metal solid solutions have been explained. A prediction of nitrogen ordering in Hf-N solid solution has been made.

    The thermodynamic description of intermetallic compounds in the Zr-Sn binary system has been obtained. The conclusion has been made that Zr substitution on the Sn sites takes place in the Zr4Sn phase, which accounts for the unusual stoichiometry of this Cr3Si structure type compound.

    The influence of pressure on the phase stability in the Fe-Si system has been investigated. We have found instability of the hcp Fe0.9Si0.1 random alloy with respect to the decomposition onto the Si-poor hcp Fe alloy and the B2 FeSi under high pressure. The tendency of this decomposition becomes stronger with increasing the applied pressure.

  • 24.
    Baykov, Vitaly
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Isaev, P. A.
    Moscow State Institute of Steel and Alloys.
    Korzhavyi, Pavel A.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Vekilov, Y. K.
    Moscow State Institute of Steel and Alloys.
    Abrikosov, I. A.
    Linköping University.
    Ab Initio Studies of the Energy Characteristics and Magnetic Properties of Point Defects in GaAs2005Ingår i: Physics of the solid state, ISSN 1063-7834, E-ISSN 1090-6460, Vol. 47, nr 10, s. 1831-1836Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The formation energies of intrinsic point defects and solution energies of transition metal impurities in gallium arsenide are determined on the basis of ab initio calculations using the method of a locally self-consistent Green's function, which is a generalization of the coherent potential approximation. Based on the calculated energies, the conclusion is made that the As-Ga antisite defect is the most common intrinsic defect in GaAs. Calculations showed that transition metal impurities, except for Ni, preferentially occupy gallium sites substitutionally. The magnetic moments of impurity atoms are calculated as a function of the chemical environment. It is shown that, in compensated GaAs, Mn atoms tend to form clusters.

  • 25.
    Baykov, Vitaly
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Korzhavyi, Pavel A.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Smirnova, E. A.
    Department of Theoretical Physics of Steel and Alloys, Moscow.
    Abrikosov, I. A.
    Department of Physics and Measurement Technology, Linköping University.
    Johansson, Börje
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
    Magnetic properties of 3d impurities in GaAs2007Ingår i: Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, E-ISSN 1873-4766, Vol. 310, nr 2, s. 2120-2122Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Electronic structure, thermodynamic, and magnetic properties of 3d-transition metal (TM) impurities in GaAs have been studied from first principles using Green's function approach. The studied TM impurities (V, Cr, Mn, and Fe) are found to form substitutional alloys on the Ga sublattice. The possibility of raising the Curie temperature TC in (GaMn) As by co-doping it with Cr impurities was examined on the basis of total energy difference between the disordered local moment (DLM) and the ferromagnetically ordered (FM) spin configurations. The calculated Curie temperature and magnetic moment have maxima for GaAs doped with Cr and Mn. The magnetic properties of Mn-doped GaAs are shown to be more sensitive to antisite As defects than those of Cr-doped GaAs. However, the Cr impurities are sensitive to the presence of acceptor defects, such as vacancies on the Ga sublattice. The investigation of the electronic structure of pseudo-ternary alloys (Ga(1-x-y)MnxCry) As has shown a mutual compensation of Mn and Cr impurities. Therefore, in order to reach the highest critical temperature, GaAs has to be separately doped with Cr or Mn impurities. The GaAs doped with Fe is found to be non-ferromagnetic.

  • 26.
    Bergqvist, Lars
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
    Korzhavyi, Pavel A.
    KTH, Tidigare Institutioner, Materialvetenskap.
    Sanyal, B.
    Mirbt, S.
    Abrikosov, I. A.
    Nordstrom, L.
    Smirnova, E. A.
    Mohn, P.
    Svedlindh, P.
    Eriksson, O.
    Magnetic and electronic structure of (Ga1-xMnx)As2003Ingår i: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 67, nr 20, s. 205201-Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    We present theoretical calculations of the magnetic and electronic structure of Mn-doped GaAs (in the zinc-blende structure). The magnetic properties are shown to be very sensitive to structural defects, in particular, As antisite defects and Mn at interstitial positions. Only when considering such defects can the experimental magnetic moments be reproduced by first-principles theory. We present a simple model for understanding the connection between the magnetic ordering and the As antisites, and the way in which the defects help to stabilize a partial disordered local-moment state. The connection between the energetics of the Mn substitution and the As antisite concentration is also analyzed. In addition, we compare the calculated magnetic properties and electronic structures of Mn situated on substitutional sites (Mn replacing a Ga atom) and on interstitial sites, where in agreement with observations the interstitial site is found to be less favorable. Finally, combining our first-principles calculations of the spin-wave excitation energies with a classical Heisenberg Hamiltonian we have calculated interatomic exchange interactions, and using Monte Carlo simulations we present theoretical values of the critical temperature as a function of Mn concentration.

  • 27.
    Bergstedt, Edwin
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Földhazy, Johan
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Lundstjälk, Alexander
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Vibration Analysis on AC Electric Arc Furnace2015Självständigt arbete på grundnivå (kandidatexamen), 10 poäng / 15 hpStudentuppsats (Examensarbete)
    Abstract [en]

    A computerized Fast Fourier Transform system has been used to analyse vibration measurements sampled from a 100-ton electric arc furnace. It has been the hypothesis that patterns in the vibration data would correlate to specific events in the electric arc furnace during the melting process. The theory was that the vibration patterns would be most powerful in multiples of 50 Hz, as the electric arcs operate with a frequency of 50 Hz. It was concluded that the multiples of 50 Hz were dominant. Investigation was made regarding how the amount of scrap affects the amplitude in the vibrations after a defined amount of energy input. It was confirmed that the intensity of the vibrations decreased with increasing mass and basket volume. Another discovery was the M-shaped pattern at the beginning of the melting process. This pattern was statistically analysed. It was found that 71 % of the 41 charges showed an M-shaped correlation. The appearance of this M-shape was analysed regarding power usage, and steel-type. It was concluded that the steel type affected the appearance of the M-shape. The occurrence of flat-bath was also investigated. The theory was that the vibration data would be fairly constant with the occurrence of flat-bath. It was discovered that the vibration data experienced a somewhat constant behaviour towards the end of the melting process in approximately 57 % of the 41 charges. Difficulties were encountered regarding detection of patterns, and correlating them to specific conditions, due to the many parameters that affect the vibration measurements from charge to charge. It was concluded that vibration analysis are unlikely to be used as an absolute way to foresee every event in the electric arc furnace during each charge. But can rather serve as a statistical tool, upon which decisions of how the melting process should be conducted could be based on.

  • 28. Bergström, Lennart
    et al.
    Allibert, Colette
    Ågren, John
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Metallografi.
    Kostorz, Gernot
    International Symposium on Inorganic Interfacial Engineering 2006, Stockholm, Sweden, June 20–21, 20062008Ingår i: Materials Science & Engineering: A, ISSN 0921-5093, E-ISSN 1873-4936, Vol. 475, nr 1-2, s. 1-Artikel i tidskrift (Övrigt vetenskapligt)
  • 29.
    Besharat, Zahra
    et al.
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Material- och nanofysik, Materialfysik, MF.
    Göthelid, Mats
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Material- och nanofysik, Materialfysik, MF.
    Wakeham, Deborah
    KTH, Skolan för kemivetenskap (CHE), Kemi.
    Johnson, C. Magnus
    KTH, Skolan för kemivetenskap (CHE), Kemi, Yt- och korrosionsvetenskap.
    Rutland, Mark W.
    KTH, Skolan för kemivetenskap (CHE), Kemi, Yt- och korrosionsvetenskap.
    Ghadami Yazdi, Milad
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Material- och nanofysik, Materialfysik, MF.
    Se-C cleavage of hexane selenol at steps on Au(111)Manuskript (preprint) (Övrigt vetenskapligt)
  • 30.
    Bhatti, Ayjwat A.
    et al.
    KTH, Skolan för teknikvetenskap (SCI), Farkost och flyg. Osaka University, Japan.
    Barsoum, Zuheir
    KTH, Skolan för teknikvetenskap (SCI), Farkost och flyg. Khalifa University of Science, United Arab Emirates.
    Murakawa, Hidekazu
    Barsoum, Imad
    KTH, Skolan för teknikvetenskap (SCI), Farkost och flyg. The Petroleum Institute, United Arab Emirates.
    Influence of thermo-mechanical material properties of different steel grades on welding residual stresses and angular distortion2015Ingår i: Materials & Design, ISSN 0261-3069, Vol. 65, s. 878-889Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The present study investigates the influence of thermo-mechanical material properties of different steel grades (S355-S960) on welding residual stresses and angular distortion in T-fillet joints. Different cases in which temperature dependent thermo-mechanical material properties are considered as constant, linear, and as a function of temperature are simulated by using finite element (FE) method. Experiments are carried out to evaluate temperature dependent yield stress and Young's modulus for S700 and S960 steel grades. Furthermore, JMat Pro software is used to obtain the remaining thermo-mechanical material properties. The numerical predictions of angular distortion and transverse residual stresses are validated with experimental measurements. It is observed that for assessment of residual stresses, except yield stress, all of the thermo-mechanical properties can be considered as constant. For the prediction of angular distortions with acceptable accuracy, heat capacity, yield stress and thermal expansion should be employed as temperature dependent in the welding simulations.

  • 31.
    Bhogireddy, Venkata Sai Pavan Kumar
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Phase Field modeling of sigma phase transformation in duplex stainless steels: Using FiPy-Finite Volume PDE solver2013Självständigt arbete på avancerad nivå (masterexamen), 20 poäng / 30 hpStudentuppsats (Examensarbete)
    Abstract [en]

    Duplex Stainless Steels (DSS) are used extensively in various industrial applications where the properties of both austenite and ferrite steels are required. Higher mechanical strength and superior corrosion resistance are the advantages of DSS. One of the main drawbacks for Duplex steels is precipitation of sigma phase and other intermetallic phases adversely affecting the mechanical strength and the corrosion behavior of the steels. The precipitation of these secondary phases and the associated brittleness can be due to improper heat treatment. The instability in the microstructure of Duplex stainless steels can be studied by understanding the phase transformations especially the ones involving sigma phase. To reduce the time and effort to be put in for experimental work, computational simulations are used to get an initial understanding on the phase transformations.

    The present thesis work is on the phase transformations involving sigma phase for Fe-Cr system and Fe-Cr-Ni system using theoretical approach in 1D and 2D geometries. A phase field model is implemented for the microstructural evolution in DSS in combination with thermodynamic data collected from the Thermo-Calc software. The Wheeler Boettinger McFadden (WBM) model is used for Gibbs energy interpolation of the system.

    FiPy- Finite volume PDE solver written in python is used to simulate the phase transformation conditions first in Fe-Cr system for ferrite-austenite and ferrite-sigma phase transformations. It is then repeated for Fe-Cr-Ni ternary system. In the present study a model was developed for deriving Gibbs energy expression for sigma phase based on the common tangent condition. This model can be used to describe composition constrained phases and stoichiometric phases using the WBM model in phase field modeling. Cogswell’s theory of using phase order variable instead of an interpolating polynomial in the expression for Gibbs energy of whole system is also tried.

  • 32.
    Björk, Lars
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Construction of cooling rig and investigation of cooling sensitivity for aluminum crash alloy2015Självständigt arbete på avancerad nivå (masterexamen), 20 poäng / 30 hpStudentuppsats (Examensarbete)
    Abstract [en]

    The work presented in this master thesis deal with the issue of quenching, investigation regarding different cooling rates and its effect on the material properties of aluminum alloy in the 6xxx series used for crash purposes in cars, such as crash boxes, beams and other crash relevant parts.

    Precipitation of Mg2Si due to different cooling rates affects the material properties such as crash performance, thus the aluminum alloy used is sensitive to different cooling rates. In order to perform tests with different cooling rates a cooling rig was constructed.

    In order to evaluate the different cooling rates both mechanical testing such as tensile test and 3-point bending test and compression test were performed. Also analyses with scanning electron microscope/energy-dispersive x-ray spectroscopy were performed to estimate grain boundary decoration of Mg2Si due to the different cooling rates. Furthermore LOM analyses were performed to evaluate if the experimental setup had any effect on material properties such as grain size.

    The constructed cooling rig produced different cooling rates with reliable repeatability as intended. Cooling rates between 130 ̊C/s and 20 ̊C/s were accomplished.

    Mg2Si occurred in all investigated test samples with various amounts. Higher cooling rates decreases the precipitation of Mg2Si to the grain boundaries, higher cooling rates also increased the bending angle achieved from the 3-point bending test.

    Furthermore, extensive solution heat treatment at elevated temperatures leads to grain growth.  

  • 33.
    Björn, Linnéa
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Investigation of Hot Ductility Gradients in Duplex Stainless Steel in the Beginning of the Continuous Casting Proces2014Självständigt arbete på avancerad nivå (masterexamen), 40 poäng / 60 hpStudentuppsats (Examensarbete)
    Abstract [sv]

    Vid en stränggjutstart är kvalitén på första slaben sämre. På grund av detta så skärs en bit, av det först gjutna slabet av och smälts om i stålverket. Om för lite material kapas av kan det leda till defekter, såsom kantbrakor, under den efterföljande varmvalsningen. Detta innebär att resurser används i onödan för att tillverka material av otillräcklig kvalitet som sedan ändå måste smältas om i ett senare steg. Skärs istället för mycket material bort så smälts prima material om i onödan. Att optimera startskrotlängden är följaktligen positivt både för miljön och rent ekonomiskt. Under varmvalsningen kan defekten kantbrakor, det vill säga sprickor vid kanterna, uppstå. Trots att en bit av det första gjutna slabet skärs av, så är det första slabet fortfarande mest utsatt för kantbrakor. Detta tros bero på nedsatt varmduktilitet i det första gjutna materialet. Syftet med detta projekt är att optimera längden på startskrotet för att spara så mycket användbart material som möjligt. Varmduktiliteten undersöktes genom drag- och bockprovning.

    Dragproven indikerar hög varmduktilitet för de undersökta proven. Areakontraktionen, som är ett mått på varmduktiliteten, är över 70 % för alla undersökta prov. Medelareakontraktionen, när man bortser från eventuella skillnader mellan chargerna, visar att prov från en meter generellt har något lägre varmduktilitet än de övriga proven. Det är endast små skillnader som uppfattas. Ingen skillnad kan ses mellan kant- och mittenprov när man enbart tittar på dragprovsresultaten. Bockproven sprack inte trots att maximal last användes och att testtemperaturen var 750 °C. Detta tyder också på hög varmduktilitet. Genom att skapa anvisningar kunde man få bockproven att spricka och det visade sig att kantprov och prov från en meter sprack mest. Inga kantbrakor hade uppstått på de första gjutna slabsen under varmvalsningen av försökschargerna.

  • 34.
    Blomqvist, Mats
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Mikroelektronik och Informationsteknik, IMIT.
    Electro-Optical Na0.5K0.5NbO3 Films2005Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    Ferroelectric oxides are a group of advanced electronic materials with a wide variety of properties useful in applications such as memory devices, resonators and filters, infrared sensors, microelectromechanical systems, and optical waveguides and modulators.

    Among the oxide perovskite-structured ferroelectric thin film materials, sodium potassium niobate or Na0.5K0.5NbO3 (NKN) has recently emerged as one of the most promising materials in radio frequency (rf) and microwave applications due to high dielectric tenability and low dielectric loss.

    This thesis presents results on growth and structural, optical, and electrical characterization of NKN thin films. The films were deposited by rf-magnetron sputtering of a stoichiometric, high density, ceramic Na0.5K0.5NbO3 target onto single crystal LaAlO3 (LAO), Al2O3 (sapphire), SrTiO3, and Nd:YAlO3, and polycrystalline Pt80Ir20 substrates. By x-ray diffractometry, NKN films on c-axis oriented LaAlO3, SrTiO3 and Nd:YAlO3 substrates were found to grow epitaxially, whereas films on r-cut sapphire and polycrystalline Pt80Ir20 substrates were found to be preferentially (00l) oriented. The surface morphology was explored using atomic force microscopy.

    Optical and waveguiding properties of the Na0.5K0.5NbO3/substrate heterostructures were characterized using prism-coupling technique. Sharp and distinguishable transverse magnetic and electric propagation modes were observed for NKN thicknesses up to 2.0 μm. The extraordinary and ordinary refractive indices were calculated together with the birefringence of the NKN material. The electro-optic effect in transverse geometry was measured in transmission, where the effective linear electro-optic response was determined to reff = 28 pm/V for NKN/Al2O3 with an applied dc field up to 18 kV/cm.

    The ferroelectric state in NKN films on Pt80Ir20 at room temperature was indicated by a polarization loop with saturated polarization as high as 33.4 μC/cm2 at 700 kV/cm, remnant polarization of 10 μC/cm2, and coercive field of 90 kV/cm. Current-voltage characteristics of vertical Au/NKN/PtIr capacitive cells and planar Au/NKN/LAO interdigital capacitors (IDCs) showed very good insulating properties, with the leakage current density for an NKN IDC on the order of 30 nA/cm2 at 400 kV/cm. Rf dielectric spectroscopy demonstrated low loss, low frequency dispersion, and high voltage tunability. At 1 MHz, NKN/LAO showed a dissipation factor tan δ = 0.010 and a tunability of 16.5 % at 200 kV/cm. For the same structure the frequency dispersion was Δεr = 8.5 % between 1 kHz and 1 MHz.

  • 35.
    Blomqvist, Mats
    et al.
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Mikroelektronik och Informationsteknik, IMIT.
    Khartsev, Sergiy
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Materialfysik, Materialfysik, MF.
    Grishin, Alexander M.
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Mikroelektronik och Informationsteknik, IMIT.
    Electro-optic effect in ferroelectric Na0.5K0.5NbO3 thin films on oxide substrates2006Ingår i: Integrated Ferroelectrics, ISSN 1058-4587, E-ISSN 1607-8489, Vol. 80, nr 1, s. 97-106Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    We have deposited Na0.5NbO3 (NKN) films oil single crystal Al2O3(1 (1) under bar 02) and SrTiO3(001) substrates using rf-magnetron sputtering of a stoichiometric, high-density ceramic target. Using x-ray diffraction it was confirmed that NKN grows preferentially c-axis oriented on sapphire substrate and epitaxially oil the perovskite SrTiO3(001) substrate. Electro-optical (EO) properties were measured in visible light through a transverse method. With an applied dc field up to 20 kV/cm, the effective linear EO response was determined to r(eff) = 28 pm/V for NKN/Al2O3 and r(eff) = I I pm/V for NKN/SrTiO3, where a superlinear dependence was observed.

  • 36.
    Blomqvist, Mats
    et al.
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Mikroelektronik och Informationsteknik, IMIT.
    Khartsev, Sergiy
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Materialfysik, Materialfysik, MF.
    Grishin, Alexander M.
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Mikroelektronik och Informationsteknik, IMIT.
    Electrooptic ferroelectric Na0.5K0.5NbO3 films2005Ingår i: IEEE Photonics Technology Letters, ISSN 1041-1135, E-ISSN 1941-0174, Vol. 17, nr 8, s. 1638-1640Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    We report on waveguiding and electrooptic properties of epitaxial Na0.5K0.5NbO3 films grown by radio-frequency magnetron sputtering on Al2O3 (1102) single crystal substrates. High optical waveguiding performance has been demonstrated in infrared and visible light. The in-plane electrooptic effect has been recorded in transmission using a transverse geometry. At dc fields, the effective linear electrooptic coefficient was determined to 28 pm/V, which is promising for modulator applications.

  • 37.
    Blomqvist, Mats
    et al.
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Mikroelektronik och Informationsteknik, IMIT.
    Khartsev, Sergiy
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Materialfysik, Materialfysik, MF.
    Grishin, Alexander M.
    KTH, Skolan för informations- och kommunikationsteknik (ICT), Mikroelektronik och Informationsteknik, IMIT.
    Visible and IR light waveguiding in ferroelectric Na0.5K0.5NbO3 thin films2005Ingår i: Integrated Ferroelectrics, ISSN 1058-4587, E-ISSN 1607-8489, Vol. 69, s. 277-286Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    High-quality ferroelectric thin films are attractive materials for integrated optics applications including electro-optic waveguide modulators and frequency doubling secondharmonic generators. Several fefroelectric thin film materials, such as BaTiO3, KNbO3, LiNbO3, and (Pb,La)(ZrTi)O-3, have been investigated regarding their optical and waveguiding properties. Recently the first results on waveguiding in ferroelectric Na0.5K0.5NbO3 (NKN) thin films were presented. Perovskite NKN films have previously been investigated as electrically tunable material for low loss rf and microwave applications. Na0.5K0.5NbO3 thin films of thickness 0.5-1.0 mum have been deposited on Nd:YAlO3(001) and Al2O3(0112) substrates using rf-magnetron sputtering of a stoichiometric, high-density ceramic target. X-ray diffraction measurements confirmed films grown highly (00l) oriented on the perovskite Nd:YAlO3 substrate and preferentially c-axis oriented on the single crystal r-cut sapphire substrate. Optical and waveguiding properties were characterized using a Metricon 2010 prism-coupling apparatus with a rutile prism. Dark-line spectra were obtained at visible light (lambda = 632.8 nm) as well as at infrared optical communication wavelengths, lambda = 1319 nm and lambda = 1549 nm, in both transverse electric (TE) and transverse magnetic (TM) polarizations. Sharp dips corresponding to waveguide propagation modes in the thin film layers where observed for both substrates. The calculated refractive index values and corresponding birefringence (Deltan = n(TM) - n(TE) = n(e) - n(o)) as a function of wavelength has been compared. Generally a larger birefringence is observed for the NKN film on Nd:YAlO3, which is in agreement with the larger degree of preferential c-axis orientation measured by XRD.

  • 38.
    Blomqvist, Mats
    et al.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Khartsev, Sergiy
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Grishin, Alexander M.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Petraru, Adrian
    Institute of Thin Films and Interfaces, Section: Ion Technology, Forschungzentrum Jülich.
    Rf sputtered Na0.5K0.5NbO3 films on oxide substrates as optical waveguiding material2003Ingår i: Integrated Ferroelectrics, ISSN 1058-4587, E-ISSN 1607-8489, Vol. 54, s. 631-640Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Highly crystalline Na0.5K0.5NbO3 (NKN) thin films of 1-2 mum thickness were deposited by rf-magnetron sputtering of a stoichiometric, ceramic target on single crystal LaAlO3 (001) and Al2O3 (01 (1) under bar2) substrates. X-ray diffraction measurements revealed epitaxial quality of NKN/LaAlO3 film structures, whereas NKN films on sapphire substrates were found to be preferentially c -axis oriented. A prism-coupling technique was used to characterize optical and waveguiding properties. A bright-line spectrum at lambda = 632.8 nm, revealed sharp peaks, corresponding to transverse magnetic (TM) and electric (TE) waveguide propagation modes in NKN/LaAlO3 and NKN/Al2O3 thin films. Using a least mean square fit the refractive index for the films and film thickness were calculated. The extraordinary and ordinary refractive indices were determined to n(e) = 2.207 +/- 0.002 and n(o) = 2.261 +/- 0.002, and n(e) = 2.216 +/- 0.002 and n(o) = 2.247 +/- 0.002 at lambda = 632.8 nm for 2.0 mum thick NKN films on LaAlO3 and Al2O3 , respectively. This corresponds to a birefringence Deltan = n(e) - n(o) = -0.054 +/- 0.003 and Deltan = -0.031 +/- 0.003 in the films, where the larger Deltan for the NKN/LaAlO3 structure can be explained by the superior crystalline quality compared to NKN/Al2O3 . Atomic force microscopy images of the film surfaces revealed rms roughnesses of 2.5 nm and 8.0 nm for 1.0-mum thick NKN/LaAlO3 and NKN/Al2O3 films, respectively. We believe surface scattering is one of the main sources of waveguide losses in the thin films.

  • 39.
    Blomqvist, Mats
    et al.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Khartsev, Sergiy
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Grishin, Alexander M.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Petraru, Adrian
    Inst. of Thin Films and Interfaces, Section: Ion Technology, Forschungszentrum Jülich.
    Buchal, Christoph
    Inst. of Thin Films and Interfaces, Section: Ion Technology, Forschungszentrum Jülich.
    Optical waveguiding in magnetron-sputtered Na0.5K0.5NbO3 thin films on sapphire substrates2003Ingår i: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 82, nr 3, s. 439-441Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Preferentially oriented perovskite-structured Na0.5K0.5NbO3 (NKN) thin films have been deposited on hexagonal Al2O3(01 (1) under bar2) substrates using rf magnetron sputtering of a stoichiometric, high-density, ceramic target. Structural and film surface properties were measured using x-ray diffraction and atomic force microscopy, respectively. Optical and waveguiding properties were characterized using a prism-coupling technique. We observed sharp and distinguishable TM and TE propagation modes and measured the refractive index of NKN thin films of different thicknesses. The ordinary and extraordinary refractive indices were calculated to be n(o)=2.247+/-0.002 and n(e)=2.216+/-0.002 for a 2.0-mum-thick film at 632.8 nm. This implies a birefringence Deltan=n(e)-n(o)=-0.031+/-0.002 in the film. These first results show the potential use of rf-sputtered NKN films as an electro-optical active material.

  • 40.
    Blomqvist, Mats
    et al.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Koh, Jung-Hyuk
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Khartsev, Sergiy
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Grishin, Alexander M.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Rf-magnetron sputtered ferroelectric (Na,K)NbO3 films2002Ingår i: Proceedings of the 13th IEEE International Symposium on Applications of Ferroelectronics / [ed] White, G.; Tsurumi, T., 2002, s. 195-198Konferensbidrag (Refereegranskat)
    Abstract [en]

    Sodium potassium niobate (Na,K)NbO3 (NKN) thin films were grown by rf-magnetron sputtering from stoichiometric Na0.5K0.5NbO3 target on LaAlO3 (LAO) single crystals and polycrystalline Pt80Ir20 (PtIr) substrates. NKN films on polycrystalline PtIr substrates were found to be preferentially (004 oriented while XRD measurements reveal epitaxial quality of NKN/LaAlO3 film structures. The ferroelectric state in NKN/PtIr films at room temperature is indicated by polarization loops with polarization as high as 33.4 muC/cm(2) at 700 kV/crn, remnant polarization of 9.9 muC/cm(2), and coercive field of 91 kV/cm. I-V characteristics of vertical Au/NKN/PtIr capacitive cells and planar Au/NKN/LAO interdigital capacitors (IDCs) showed very good insulating properties. For NKN IDC the leakage current density was in the order of 30 nA/cm(2) at 400 kV/cm. Rf dielectric spectroscopy demonstrates low loss, low frequency dispersion, and high voltage tunability both for vertical Au/NKN/PtIr and planar interdigital Au/NKN/LAO capacitors.

  • 41.
    Blomqvist, Mats
    et al.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Koh, Jung-Hyuk
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Khartsev, Sergiy
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Grishin, Alexander M.
    KTH, Tidigare Institutioner                               , Mikroelektronik och informationsteknik, IMIT.
    Andréasson, Johanna
    Department of Materials and Manufacturing Engineering, Luleå University of Technology.
    High-performance epitaxial Na0.5K0.5NbO3 thin films by magnetron sputtering2002Ingår i: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 81, nr 2, s. 337-339Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Epitaxial Na0.5K0.5NbO3 (NKN) thin films have been grown on LaAlO3 substrates by rf magnetron sputtering of a stoichiometric, high-density, ceramic target. X-ray diffraction analysis showed c-axis oriented cube-on-cube growth. Micrometer size interdigital capacitor (IDC) structures were defined on the surface of the NKN film using photolithography. The electrical characterization at 1 MHz showed dissipation factor tan delta of 0.010, tunability 16.5% at 200 kV/cm and dielectric permittivity epsilon(r)=470. The frequency dispersion of epsilon(r) between 1 kHz and 1 MHz was 8.5% and the IDCs showed very good insulating properties with leakage current density on the order of 30 nA/cm(2) at 400 kV/cm. The polarization loop exhibits weak ferroelectric hysteresis with maximum polarization 23.5 muC/cm(2) at 600 kV/cm. These results are promising for tunable microwave devices based on rf sputtered NKN thin films.

  • 42.
    Borukhovich, Efim
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap. Ruhr Univ Bochum.
    Du, Guanxing
    Stratmann, Matthias
    Boeff, Martin
    Shchyglo, Oleg
    Hartmaier, Alexander
    Steinbach, Ingo
    Microstructure Design of Tempered Martensite by Atomistically Informed Full-Field Simulation: From Quenching to Fracture2016Ingår i: Materials, ISSN 1996-1944, E-ISSN 1996-1944, Vol. 9, nr 8, artikel-id 673Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Martensitic steels form a material class with a versatile range of properties that can be selected by varying the processing chain. In order to study and design the desired processing with the minimal experimental effort, modeling tools are required. In this work, a full processing cycle from quenching over tempering to mechanical testing is simulated with a single modeling framework that combines the features of the phase-field method and a coupled chemo-mechanical approach. In order to perform the mechanical testing, the mechanical part is extended to the large deformations case and coupled to crystal plasticity and a linear damage model. The quenching process is governed by the austenite-martensite transformation. In the tempering step, carbon segregation to the grain boundaries and the resulting cementite formation occur. During mechanical testing, the obtained material sample undergoes a large deformation that leads to local failure. The initial formation of the damage zones is observed to happen next to the carbides, while the final damage morphology follows the martensite microstructure. This multi-scale approach can be applied to design optimal microstructures dependent on processing and materials composition.

  • 43. Bououdina, M.
    et al.
    Oumellal, Y.
    Dupont, L.
    Aymard, L.
    Al-Gharni, H.
    Al-Hajry, A.
    Maark, T. A.
    De Sarkar, Abid
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
    Ahuja, Rajeev
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
    Deshpande, M. D.
    Qian, Zhao
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Tillämpad materialfysik.
    Rahane, A. B.
    Lithium storage in amorphous TiNi hydride: Electrode for rechargeable lithium-ion batteries2013Ingår i: Materials Chemistry and Physics, ISSN 0254-0584, E-ISSN 1879-3312, Vol. 141, nr 1, s. 348-354Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    In this study, amorphous TiNi phase was successfully prepared using mechanically milling for a very short time of 8 h. HRTEM confirms the formation of amorphous phase with the presence of nanocrystalline Fe particles. After hydrogenation (30 bars of H-2 for a duration of 2 h), the electrochemical reaction shows that TiNi hydride/Li cell discharges at a current of one Li for 10 h between 3 V and 0.005 V. The discharge of TiNiH electrode around x = 1 Li corresponds to a capacity of 251 mAh g(-1) and a hydride composition of TiNiH1.0 at an average voltage of 0.4 V. Ex-situ X-ray diffraction pattern collected at the end of the discharge shows a mixture of amorphous TiNi compound and LiH. A general mechanism for the electrochemical reaction is then proposed: alpha-TiNiH + Li+ + e(-) -> alpha-TiNi + LiH. The results from DFT calculations yield an average cell voltage of 0.396 V, which is in good agreement with the experimental pseudo-plateau occurring at 0.4 V.

  • 44.
    Brandberg, Jenny
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Process Model for Dehydrogenation during Vacuum DegassingManuskript (Övrigt vetenskapligt)
  • 45.
    Brandberg, Jenny
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Mikro-modellering.
    Solubility of hydrogen in slags and its impact on ladle refining2006Licentiatavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    The aim of the present work was to clarify the mechanisms of hydrogen removal during vacuum degassing. The main reason for this was because the primary source of hydrogen pick-up in steel-making is the moisture in the furnace atmosphere and the raw material charged into the ladle furnace. Previous studies showed that the presence of hydroxyl ions in the ladle slag results in hydrogen transfer from the slag back into the steel bath. The main focus of this thesis was therefore to gain deeper knowledge of the ladle slag and its properties. For this purpose a number of slag compositions were examined in order to clarify whether these slags were single liquids at 1858 K. 14 out of 27 compositions in the Al2O3 CaO MgO SiO2 system was completely melted. These results were in disagreement with the existing phase diagrams.

    Water solubility measurements were carried out by employing a thermo gravimetric technique. The temperature was found to have negligible effect on the water solubilities. The experimental results showed that the water capacity values varied between 1x103 and 2x103 in the majority of the composition range. However, for compositions close to CaO saturation the water capacity value could reach higher than 3x103. The experimental determined water capacity was further used to develop a water capacity model for the quaternary slag system Al2O3 CaO MgO SiO2. The model was constructed by considering the affects of the binary interactions between the cations in the slag on the capacity of capturing hydroxyl ions. The model calculations agreed well with the experimental results as well as with the literature data.

    An attempt was made to develop a preliminary process model for dehydrogenation by using the results from CFD calculation. For this purpose industrial sampling was made during vacuum treatment. The hydrogen concentrations decreases fast in the initial stages of the degassing, but is slowed down in the final stage. The model calculations fit the initial stage of the dehydrogenation process well. In the final stage of the process the predicted values are somewhat lower than the plant data. The results from the model prediction showed that a dynamic process model could be satisfactorily constructed using the results from CFD calculation.

    The present work aimed at determining how big impact hydroxyl ions in the slag have on the final hydrogen concentration in the liquid steel. It was found that the effect is of less importance regarding the final concentration of the metal after the degassing treatment.

  • 46.
    Brandberg, Jenny
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Mikro-modellering.
    Sichen, Du
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Mikro-modellering.
    Water vapor solubility in ladle-refining slags2006Ingår i: Metallurgical and materials transactions. B, process metallurgy and materials processing science, ISSN 1073-5615, E-ISSN 1543-1916, Vol. 37, nr 3, s. 389-393Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    A thermo-gravimetric technique was used to determine the hydrogen solubilities of some Al2O3-CaO-MgO-SiO2 quaternary slags. The focus of the work was to determine the water capacities in slags having lower SiO2 concentrations, which were relevant to industrial practices. The majority of the experiments were carried out in the temperature interval 1747 to 1827 K with water pressure of 157 mbar. The reliability of the experiments was confirmed using a quenching technique. The temperature was found to have a negligible effect on the water solubilities. The composition of the slag did not seem to significantly affect the water capacity. However, as the slag composition approached CaO saturation, a considerable increase of the solubility was noticed.

  • 47.
    Brandberg, Jenny
    et al.
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Mikro-modellering.
    Yu, Liang
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Mikro-modellering.
    Sichen, Du
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Mikro-modellering.
    Water capacity model of Al2O3-CaO-MgO-SiO2 quaternary slag system2007Ingår i: Steel research, ISSN 0177-4832, Vol. 78, nr 6, s. 460-464Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The focus of the present work was to develop a water capacity model for the quaternary slag system Al2O3-CaO-MgO-SiO2. In the model, a silicate melt was considered to consist of two ion groupings, viz. cation grouping and oxygen ion. The water capacity of a melt is supposed to depend on the interactions between the cations in the presence of oxygen ions. These interactions were determined on the basis of the experimentally measured water solubility data. Only binary interactions were employed in the model. For the system CaO-SiO2, disagreement in the literature data was found. Since the interaction between Ca2+ and Si4+ would play an important role, experiments were carried out to determine the water capacities of some CaO-SiO2 slags. For this purpose a thermogravimetric method was employed. Iso-lines of water capacities at constant MgO contents were predicted by the model and compared with the experimental data from literature. The model calculations agreed well with the experimental results.

  • 48.
    Brash, Benjamin
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap.
    Distortions of Press Quenched Crown Wheels2015Självständigt arbete på avancerad nivå (masterexamen), 20 poäng / 30 hpStudentuppsats (Examensarbete)
    Abstract [en]

    Scania has experienced difficulties with large variations of the slope of the back plane after press quenching of case hardened crown wheels of especially type R780 Steg supplied from ingot cast material. This leads to that a large number of crown wheels has to be remeasured and sorted according to back slope which is time consuming for operators. Also, after sorting of the crown wheels, hard machining has to be adjusted according to the different slopes of the back plane of the crown wheels. In some cases, it also leads to scrapping of the crown wheels.This master’s thesis was divided in two parts. The aim of the first part was to confirm that the crown wheel type and casting technique that exhibits the largest variations in slope of the back plane is the R780 Steg originating from ingot cast material. The crown wheel types that were compared were the R780 Steg, R780 Slät and R885 Slät. Crown wheels manufactured from ingot cast material and from continuous cast material were compared. Hence, 6 combinations were examined. The slope of the back plane was measured with the measuring probe FARO after press quenching. The slope of the crown wheels was found to depend on both casting technique and the geometry of the crown wheel. The results confirmed that the crown wheel type and supplier combination that by far yields the largest variations in slope of the back plane is the R780 Steg supplied by Steel Plant A who uses the ingot casting technique. For this combination the variation exceeds 0,1 mm. All other combinations of crown wheels and suppliers yield acceptable variations.The second part of this master’s thesis was composed of determining if segregations in the cast ingot are the cause of the variations in slope of the back plane of the crown wheel type R780 Steg. This was done by measuring if there is a correlation between the slope of the back plane of the crown wheel after press quenching, the chemical composition and the original position of the crown wheel in the ingot. As in the first part of the study, the distortion was measured by the measuring probe FARO. The samples were sent to Degerfors Laboratorium for chemical analysis. Analyses of C, S and N were made by using combustion analyses. For As, P, B and Al optic spectrometry (spark) was used. All other elements were analysed by x-ray fluorescence. Segregations were found to be present and in combination with the geometry of R780 Steg to be the cause of the large variations in slope of the crown wheels.The results of this thesis show that, for the crown wheel type R780 Steg, Scania should not use suppliers that employ the ingot casting technique. Instead, only suppliers using the continuous casting technique should be used. However, for the other crown wheel types ingot or continuously cast material can be used.

  • 49.
    Bratberg, Johan
    KTH, Skolan för industriell teknik och management (ITM), Materialvetenskap, Metallografi.
    Phase equilibria and thermodynamic properties of high-alloy tool steels: theoretical and experimental approach2005Doktorsavhandling, sammanläggning (Övrigt vetenskapligt)
    Abstract [en]

    The recent development of tool steels and high-speed steels has led to a significant increase in alloy additions, such as Co, Cr, Mo, N, V, and W. Knowledge about the phase relations in these multicomponent alloys, that is, the relative stability between different carbides or the solubility of different elements in the carbides and in the matrix phase, is essential for understanding the behaviour of these alloys in heat treatments. This information is also the basis for improving the properties or designing new alloys by controlling the amount of alloying elements. Thermodynamic calculations together with a thermodynamic database is a very powerful and important tool for alloy development of new tool steels and high-speed steels. By thermodynamic calculations one can easily predict how different amounts of alloying elements influence on the stability of different phases. Phase fractions of the individual phases and the solubility of different elements in the phases can be predicted quickly. Thermodynamic calculations can also be used to find optimised processing temperatures, e.g. for different heat treatments. Combining thermodynamic calculations with kinetic modelling one can also predict the microstructure evolution in different processes such as solidification, dissolution heat treatments, carbide coarsening, and the important tempering step producing secondary carbides.

    The quality of predictions based on thermodynamic calculations directly depends on the accuracy of the thermodynamic database used. In the present work new experimental phase equilibria information, both in model alloys containing few elements and in commercial alloys, has been determined and was used to evaluate and improve the thermodynamic description. This new experimental investigation was necessary because important information concerning the different carbide systems in tool steels and high-speed steels were lacking.

    A new thermodynamic database for tool steels and high-speed steels, TOOL05, has been developed within this thesis. With the new database it is possible to calculate thermodynamic properties and phase equilibria with high accuracy and good reliability. Compared with the previous thermodynamic description the improvements are significant. In addition the composition range of different alloying elements, where reliable results are obtained with the new thermodynamic database, have been widened significantly.

    As the available kinetic data did not always predict results in agreement with new experiments the database was modified in the present work. By coupling the new thermodynamic description with the new kinetic description accurate diffusion simulations can be performed for carbide coarsening, carbide dissolution and micro segregation during solidification.

  • 50. Butte, Raphael
    et al.
    Lahourcade, Lise
    UŽdavinys, Tomas Kristijonas
    KTH, Skolan för teknikvetenskap (SCI), Tillämpad fysik.
    Callsen, Gordon
    Mensi, Mounir
    KTH, Skolan för teknikvetenskap (SCI), Tillämpad fysik.
    Glauser, Marlene
    Rossbach, Georg
    Martin, Denis
    Carlin, Jean-Francois
    Marcinkevičius, Saulius
    KTH, Skolan för teknikvetenskap (SCI), Tillämpad fysik.
    Grandjean, Nicolas
    Optical absorption edge broadening in thick InGaN layers: Random alloy atomic disorder and growth mode induced fluctuations2018Ingår i: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 112, nr 3, artikel-id 032106Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    To assess the impact of random alloying on the optical properties of the InGaN alloy, high-quality InxGa1-xN (0 < x < 0.18) epilayers grown on c-plane free-standing GaN substrates are characterized both structurally and optically. The thickness (25-100 nm) was adjusted to keep these layers pseudomorphically strained over the whole range of explored indium content as checked by x-ray diffraction measurements. The evolution of the low temperature optical absorption (OA) edge line-width as a function of absorption energy, and hence the indium content, is analyzed in the framework of the random alloy model. The latter shows that the OA edge linewidth should not markedly increase above an indium content of 4%, varying from 17 meV to 30 meV for 20% indium. The experimental data initially follow the same trend with, however, a deviation from this model for indium contents exceeding only similar to 2%. Complementary room temperature near-field photoluminescence measurements carried out using a scanning near-field optical microscope combined with simultaneous surface morphology mappings reveal spatial disorder due to growth meandering. We conclude that for thick high-quality pseudomorphic InGaN layers, a deviation from pure random alloying occurs due to the interplay between indium incorporation and longer range fluctuations induced by the InGaN step-meandering growth mode.

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