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  • 2901.
    Ahsin, Tafzeel ur Rehman
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Link Reliability in Cooperative Relaying Using Network Coding2010Licentiate thesis, monograph (Other academic)
    Abstract [en]

    Demand for high data rates is increasing rapidly for future wireless systems.This trend is due to the increase in the number of mobile subscribers that need bandwidth hungry multimedia applications anywhere, anytime. Fourth generation cellular systems like IMT-advanced are being developed to meet these requirements. The unreliable nature of the wireless medium is one of the main hinderance in providing high data rates. Cooperative communication in cellular networks is emerging as a new paradigm to deal with the channel impairments. User cooperation via fixed relays in cellular systems form multiple access relay channels (MARCs) and provide an effective and cost efficient solution to achieve spatial diversity gains. Network resources can be utilized efficiently by using network coding at cooperating nodes.

    A lot of research work has focused on highlighting the gains achieved by using network coding in MARCs. However, there are certain areas that are not fully explored yet. For instance, the kind of the detection scheme used at the base station receiver and its impact on the link performance has not been addressed. In most cases, the outage probability has been used as a performance measure of MARCs. However, it is well known that the outage probability gives information about the signal availability, but it does not give the complete picture about the reliability of the link and the achieved quality of service.

    This thesis work looks at the link performance, in terms of symbol error probability, of multiple access relay channels that employ network coding at the relay node. Different types of detection schemes are considered and their performance is compared under different link conditions. Analytical expressions for the average symbol error probability of the cooperating users are derived. Focusing on the uplink of cellular systems, certain rules are devised on how to group users at relay node to ensure mutual benefit for the cooperating users. As a way of improving the link performance of multiple access relay channels and their robustness, the thesis considers constellation selection for the different branches. This method takes advantage of the redundancy between the transmitted symbols created by network coding and the augmented signal space obtained at the base station receiver. The obtained results show that, with a proper selection of the constellation sets, the link performance of MARCs can be improved. The thesis further looks at the interaction between the channel coding schemes of the cooperating users and network coding. It is shown that joint channel-network coding in MARCs can be seen as a product code. This new representation provides considerable flexibility in selecting efficient decoding algorithms at the base station receiver and gives the possibility to use more powerful network coding schemes for MARCs.

  • 2902.
    Ahsin, Tafzeel Ur Rehman
    et al.
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Ben Slimane, Slimane
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Constellation Selection in Network Coded Distributive Antenna System2009In: GLOBECOM 2009 - 2009 IEEE Global Telecommunications Conference / [ed] Ulema M, IEEE , 2009, p. 342-346Conference paper (Refereed)
    Abstract [en]

    Relays can improve wireless links by providing an extra path to the direct path which together form a virtual multiple antenna system. Network Coded-Distributive Antenna System (NC-DAS) and Plain-Distributive Antenna System (P-DAS) are examples of realizations of such scenario. Although the asymptotic diversity gain for both the schemes is comparable, the network coded scheme can further take advantage of the redundancy and the extra dimension provided by the relay link. This extra signal dimension can be very useful when multilevel modulation is employed as it gives the possibility for a better spread of the modulation signal points within the augmented signal space. This article presents a simple and effective Constellation Selection (CS) scheme for all the three links within the NC-DAS system. This selection procedure improves the bit error probability in both AWGN and Rayleigh fading channels. Two different detections schemes are considered in the paper. Joint detection where the both users are decoded simultaneously and detection with successive cancelation where the strongest user is detected first followed by cancelation and maximum ratio combining. Analytical expressions for the error probability supported by simulation results are presented. The obtained results show that constellation selection provides good performance gain as compared to the case of same constellation.

  • 2903.
    Ahsin, Tafzeel Ur Rehman
    et al.
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Ben Slimane, Slimane
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS. KTH, School of Information and Communication Technology (ICT), Centres, Center for Wireless Systems, Wireless@kth.
    Energy Efficiency using Cooperative Relaying2011In: 2011 IEEE 22nd International Symposium On Personal Indoor And Mobile Radio Communications (PIMRC), New York: IEEE , 2011, p. 1698-1702Conference paper (Refereed)
    Abstract [en]

    The rising demand for the high data rates in the future cellular systems, is directly linked with the power consumption at the transmitting nodes. Due to the various economical and environmental factors, it is becoming difficult to maintain the current rate of power consumption per unit of data, for the upcoming generations of the cellular systems. This has shifted the focus of many researchers towards the energy efficiency aspect of the cellular systems and power consumption has become an important design parameter in the recent works. In this article, we propose the use of cooperative communications using low cost fixed relays, in order to reduce the energy consumption at the transmitting nodes for a given quality of service requirement. It has been investigated that, how different factors, such as cell radius, relay position, number of relays and target data rate effects the area energy consumption for the different relaying schemes. It has been shown that, the cooperative relaying schemes along with adaptive resource allocation provides minimum energy consumption along with the better coverage as compared to the non adaptive cooperative relaying schemes.

  • 2904.
    Ahsin, Tafzeel ur Rehman
    et al.
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Ben Slimane, Slimane
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Network coding based on product codes in cooperative relaying2010In: IEEE Wireless Communications and Networking Conference 2010, WCNC 2010, 2010Conference paper (Refereed)
    Abstract [en]

    Employing network coding at the relay in cooperative relay system can improve the system throughput. However, XOR based network coding does not provide a strong error correction capability that can be used at the base station (receiver) in decoding the information of the cooperating users. Instead a block code can be used to combine the received user packets at the relay station where only the extra redundancy of the block code are forwarded by the relay station. With this structure a better error correction capability is embedded to the network coding scheme providing a better help to the receiver when decoding the user information. Combining this network coding structure with the individual block codes of the users, an overall product code can be obtained which gives the possibility of generating more powerful overall codes and increases the correction capability of the decoding process at the receiver. The obtained results show that the proposed scheme outperforms the conventional XOR based network coding scheme and gives the possibility of combining more users in the cooperation process.

  • 2905.
    Ahsin, Tafzeel ur Rehman
    et al.
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Slimane, Ben
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS.
    Detection strategies in cooperative relaying with network coding2010In: IEEE International Symposium on Personal, Indoor and Mobile Radio Communications, PIMRC, 2010, p. 12-17Conference paper (Refereed)
    Abstract [en]

    Network coding in cooperative relaying can improve the performance of both users and provide improved efficiency as compared to the conventional relaying. This paper considers different detection schemes for cooperative relaying with network coding. Analytical upper bounds on the bit error probability are derived and used to assess the performance of the different schemes. The obtained results show that simple and low complexity detectors can provide good performance, quite close to that of joint detection.

  • 2906.
    Ahsin, Tafzeel Ur Rehman
    et al.
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS. KTH, School of Information and Communication Technology (ICT), Centres, Center for Wireless Systems, Wireless@kth.
    Slimane, Ben
    KTH, School of Information and Communication Technology (ICT), Communication Systems, CoS. KTH, School of Information and Communication Technology (ICT), Centres, Center for Wireless Systems, Wireless@kth.
    Energy efficient resource allocation and deployment strategies for wireless networks2012In: 2012 5th International Conference on New Technologies, Mobility and Security - Proceedings of NTMS 2012 Conference and Workshops, IEEE , 2012, p. 6208715-Conference paper (Refereed)
    Abstract [en]

    Future wireless systems are being designed for extremely high data rates and are directly contributing to the global energy consumption. This trend is undesirable not only due to the environmental concerns, but to cost as well since energy costs are becoming a significant part of the operating expenditures for the telecom operators. Recently, energy efficient wireless systems have become a new research paradigm. Cooperative communication has shown good potential in improving coverage, providing robust radio links, reducing infrastructure cost, and has the possibility to reduce the total system energy consumption. This paper looks at possible deployment strategies for wireless networks that can reduce the energy consumption. We look at the tradeoff between the number of relay nodes and the number of base stations and their implications on the total energy consumption of wireless networks. The obtained results show that adaptive resource allocation between the base station and the relay node is an efficient way of reducing the energy consumption of the system. Furthermore, this reduction in energy consumption increases with increasing the system target spectral efficiency.

  • 2907.
    Ahteensuu, Marko
    KTH.
    Kai Horsthemke: Animals and African Ethics: Palgrave Macmillan, 2015. xi + 187pp. £60.00. isbn 978-0-230-57686-52016In: Theoria, ISSN 0040-5825, E-ISSN 1755-2567, Vol. 82, no 3, p. 288-294Article, book review (Other academic)
  • 2908. Ahtiainen, Heini
    et al.
    Artell, Janne
    Czajkowski, Mikolaj
    Hasler, Berit
    Hasselström, Linus
    Enveco Environmental Economics Consultancy, Sweden.
    Huhtala, Anni
    Meyerhoff, Jürgen
    Smart, James C.R.
    Söderqvist, Tore
    Alemu, Muhammed H.
    Angeli, Daija
    Dahlbo, Kim
    Fleming-Lehtinen, Vivi
    Hyytiäinen, Kari
    Karloseva, Aljona
    Khaleeva, Julia
    Maar, Marie
    Martinsen, Louise
    Nommann, Tea
    Pakalniete, Kristine
    Oskolokaite, Ieva
    Semeniene, Daiva
    Benefits of meeting nutrient reduction targets for the Baltic Sea: a contingent valuation study in the nine coastal states2014In: Journal of Environmental Economics and Policy, ISSN 2160-6544, E-ISSN 2160-6552, Vol. 3, no 3, p. 278-305Article in journal (Refereed)
  • 2909. Ahtiainen, Heini
    et al.
    Artell, Janne
    Czajkowski, Mikolaj
    Hasler, Berit
    Hasselström, Linus
    Enveco Environmental Economics Consultancy, Ltd., Sweden.
    Hyytiäinen, Kari
    Meyerhoff, Jürgen
    Smart, James C.R.
    Söderqvist, Tore
    Zimmer, Katrin
    Khaleeva, Julia
    Rastrigina, Olga
    Tuhkanen, Heidi
    Public preferences regarding use and condition of the Baltic Sea: An international comparison informing marine policy2013In: Marine Policy, ISSN 0308-597X, E-ISSN 1872-9460, no 42, p. 20-30Article in journal (Refereed)
  • 2910. Ahtiainen, Heini
    et al.
    Artell, Janne
    Elmgren, Ragnar
    Hasselström, Linus
    Enveco.
    Håkansson, Cecilia
    KTH, School of Architecture and the Built Environment (ABE), Sustainable development, Environmental science and Engineering, Environmental Strategies Research (fms).
    Baltic Sea nutrient reductions: What should we aim for?2014In: Journal of Environmental Management, ISSN 0301-4797, E-ISSN 1095-8630, Vol. 145, p. 9-23Article in journal (Refereed)
    Abstract [en]

    Nutrient load reductions are needed to improve the state of the Baltic Sea, but it is still under debate how they should be implemented. In this paper, we use data from an environmental valuation study conducted in all nine Baltic Sea states to investigate public preferences of relevance to three of the involved decision-dimensions: First, the roles of nitrogen versus phosphorus reductions causing different eutrophication effects; second, the role of time – the lag between actions to reduce nutrient loads and perceived improvements; and third; the spatial dimension and the roles of actions targeting the coastal and open sea environment and different sub-basins. Our findings indicate that respondents view and value the Baltic Sea environment as a whole, and are not focussed only on their local sea area, or a particular aspect of water quality. We argue that public preferences concerning these three perspectives should be one of the factors guiding marine policy. This requires considering the entire range of eutrophication effects, in coastal and open sea areas, and including long-term and short-term measures.

  • 2911.
    Ahuja, Dipali
    et al.
    Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Castletroy, Co Limerick, Ireland..
    Svärd, Michael
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena. Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Castletroy, Co Limerick, Ireland..
    Rasmuson, Åke C.
    KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Chemical Engineering, Transport Phenomena. Univ Limerick, Synth & Solid State Pharmaceut Ctr, Bernal Inst, Dept Chem Sci, Castletroy, Co Limerick, Ireland..
    Investigation of solid-liquid phase diagrams of the sulfamethazine-salicylic acid co-crystal2019In: CrystEngComm, ISSN 1466-8033, E-ISSN 1466-8033, Vol. 21, no 18, p. 2863-2874Article in journal (Refereed)
    Abstract [en]

    The influence of temperature and solvent on the solid-liquid phase diagram of the 1 : 1 sulfamethazinesalicylic acid co-crystal has been investigated. Ternary phase diagrams of this co-crystal system have been constructed in three solvents: methanol, acetonitrile and a 7 : 3 (v/v) dimethylsulfoxide-methanol mixture, at three temperatures. The system exhibits congruent dissolution in acetonitrile and the co-crystal solubility has been determined by a gravimetric technique. The Gibbs energy of co-crystal formation from the respective solid components has been estimated from solubility data, together with the corresponding enthalpic and entropic component terms. The Gibbs energy of formation ranges from -5.7 to -7.7 kJ mol -1, with the stability increasing with temperature. In methanol and the DMSO-methanol mixture, the co-crystal dissolves incongruently. It is shown that the solubility ratio of the pure components cannot be used to predict with confidence whether the co-crystal will dissolve congruently or incongruently. The size of the region where the co-crystal is the only stable solid phase is inversely related to the pure component solubility ratio of salicylic acid and sulfamethazine.

  • 2912. Ahuja, R.
    et al.
    Arwin, H.
    da Silva, A. F.
    Persson, Clas
    Osorio-Guillen, J. M.
    de Almeida, J. S.
    Araujo, C. M.
    Veje, E.
    Veissid, N.
    An, C. Y.
    Pepe, I.
    Johansson, Börje
    Electronic and optical properties of lead iodide2002In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 92, no 12, p. 7219-7224Article in journal (Refereed)
    Abstract [en]

    The electronic properties and the optical absorption of lead iodide (PbI2) have been investigated experimentally by means of optical absorption and spectroscopic ellipsometry, and theoretically by a full-potential linear muffin-tin-orbital method. PbI2 has been recognized as a very promising detector material with a large technological applicability. Its band-gap energy as a function of temperature has also been measured by optical absorption. The temperature dependence has been fitted by two different relations, and a discussion of these fittings is given.

  • 2913. Ahuja, R.
    et al.
    Dubrovinsky, L.
    Dubrovinskaia, N.
    Guillen, J. M. O.
    Mattesini, M.
    Johansson, Börje
    KTH, Superseded Departments, Materials Science and Engineering.
    Le Bihan, T.
    Titanium metal at high pressure: Synchrotron experiments and ab initio calculations2004In: Physical Review B. Condensed Matter and Materials Physics, ISSN 1098-0121, E-ISSN 1550-235X, Vol. 69, no 18Article in journal (Refereed)
  • 2914. Ahuja, R.
    et al.
    Eriksson, O.
    Johansson, Börje
    KTH, Superseded Departments, Materials Science and Engineering.
    Electronic and optical properties of BaTiO3 and SrTiO32001In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 90, no 4, p. 1854-1859Article in journal (Refereed)
  • 2915. Ahuja, R.
    et al.
    Eriksson, O.
    Johansson, Börje
    Theoretical high-pressure studies of Cs metal2001In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 6301, no 1Article in journal (Refereed)
  • 2916. Ahuja, R.
    et al.
    Eriksson, O.
    Johansson, Börje
    Theoretical study of the high-pressure orthorhombic TlI-type phase in NaBr and NaI2001In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 6309, no 9Article in journal (Refereed)
  • 2917. Ahuja, R.
    et al.
    Eriksson, O.
    Wills, J. M.
    Johansson, Börje
    Electronic structure of Ti3SiC22000In: Applied Physics Letters, ISSN 0003-6951, E-ISSN 1077-3118, Vol. 76, no 16, p. 2226-2228Article in journal (Refereed)
  • 2918. Ahuja, R.
    et al.
    Johansson, Börje
    KTH, Superseded Departments, Materials Science and Engineering.
    Theoretical prediction of the Cmca phase in Ge under high pressure2001In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 89, no 5, p. 2547-2549Article in journal (Refereed)
  • 2919. Ahuja, R.
    et al.
    Rekhi, S.
    Johansson, Börje
    KTH, Superseded Departments, Materials Science and Engineering.
    Theoretical prediction of a phase transition in gold2001In: Physical Review B Condensed Matter, ISSN 0163-1829, E-ISSN 1095-3795, Vol. 6321, no 21Article in journal (Refereed)
  • 2920. Ahuja, R.
    et al.
    Rekhi, S.
    Saxena, S. K.
    Johansson, Börje
    High-pressure structural phase transitions in RuO2 and its geophysical implications2001In: Journal of Physics and Chemistry of Solids, ISSN 0022-3697, E-ISSN 1879-2553, Vol. 62, no 11, p. 2035-2037Article in journal (Refereed)
  • 2921. Ahuja, Rajeev
    et al.
    da Silva, A. F.
    Persson, Clas
    Osorio-Guillen, J. M.
    Pepe, I.
    Jarrendahl, K.
    Lindquist, O. P. A.
    Edwards, N. V.
    Wahab, Q.
    Johansson, Börje
    Optical properties of 4H-SiC2002In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 91, no 4, p. 2099-2103Article in journal (Refereed)
    Abstract [en]

    The optical band gap energy and the dielectric functions of n-type 4H-SiC have been investigated experimentally by transmission spectroscopy and spectroscopic ellipsometry and theoretically by an ab initio full-potential linear muffin-tin-orbital method. We present the real and imaginary parts of the dielectric functions, resolved into the transverse and longitudinal photon moment a, and we show that the anisotropy is small in 4H-SiC. The measurements and the calculations fall closely together in a wide range of energies.

  • 2922.
    Ahuja, Rajeev
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
    Li, Sa
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
    Johansson, Börje Örje
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
    High pressure structural transitions in Cm metal2006In: Mater Res Soc Symp Proc, 2006, p. 247-254Conference paper (Refereed)
    Abstract [en]

    The high pressure behaviour of Cm metal is investigated theoretically using ab initio electronic structure methods. Our calculations reproduce the structural phase transitions which are obsereved in recent experiment performed by Heatman et al. [Science 309, 110 (2005)]. Calculated transition pressures are in reasonable agreement with the experimental values. Calculations performed for an antiferromagnetic state is essential to reproduce the stability of Cm-III phase. Thus, the stability of the Cm-III phase is related to the spin polarization of its 5f electrons.

  • 2923.
    Ahuja, Rajeev
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
    Li, Sa
    Luo, Wei
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
    Johansson, Börje
    KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
    High-pressure structural transitions in Cm and Am0.5Cm0.5 binary alloy2006In: High Pressure Research, ISSN 0895-7959, E-ISSN 1477-2299, Vol. 26, no 4, p. 377-381Article in journal (Refereed)
    Abstract [en]

    The high-pressure behaviour of Cm and Am0.5Cm0.5 binary alloy is investigated theoretically using ab initio electronic structure methods. Our calculations reproduce the structural phase transitions, which are observed in recent experiment performed by Heathman et al. [S. Heathman, R.G. Haire, I Le Bihan et al., Science 309 110 (2005)] and Lindbaum et al. [A. Lindbaum, S. Heathman, T. Le Bihan et al., J. Phys: Condens. Matter 15 S2297 (2003)]. Calculated transition pressures are in reasonable agreement with the experimental values. Calculations performed for an antiferromagnetic state are essential to reproduce the stability of Cm-III phase.

  • 2924.
    Ahuja, Rajeev
    et al.
    KTH, Superseded Departments, Materials Science and Engineering.
    Osorio-Guillen, J. M.
    de Almeida, J. S.
    Holm, B.
    Ching, W. Y.
    Johansson, Börje
    KTH, Superseded Departments, Materials Science and Engineering.
    Electronic and optical properties of gamma-Al2O3 from ab initio theory2004In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 16, no 16, p. 2891-2900Article in journal (Refereed)
    Abstract [en]

    We report on a density functional theory calculation of the electronic structure and optical properties of gamma-Al2O3. We have made a comparison between the optical and electronic properties of the alpha and gamma phases of alumina. The calculated bulk modulus of the gamma phase is slightly lower than that of the a phase. The calculated static dielectric function and the optical constant of the gamma phase are very close to those of the alpha phase.

  • 2925.
    Ahuja, Rajeev
    et al.
    KTH, Superseded Departments, Materials Science and Engineering.
    Persson, Clas
    da Silva, A. F.
    de Almeida, J. S.
    Araujo, C. M.
    Johansson, Börje
    KTH, Superseded Departments, Materials Science and Engineering.
    Optical properties of SiGe alloys2003In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 93, no 7, p. 3832-3836Article in journal (Refereed)
    Abstract [en]

    The optical properties of Si1-xGex have been investigated theoretically using a full-potential linear muffin-tin-orbital method. We present the density-of-states as well as the real and imaginary parts of the dielectric function. The calculated dielectric function was found to be in good agreement with the spectroscopic ellipsometry measurements by J. Bahng , J. Phys.: Condens. Matter 13, 777 (2001), and we obtained a static dielectric constant of epsilon(0)=12.19+2.45x in the Si rich regime (xless than or equal to0.5).

  • 2926.
    Ai, Yuejie
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Theoretical studies on photophysics and photochemistry of DNA2010Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Theoretical studies on biological systems like nucleic acid and protein have been widely developed in the past 50 years and will continue to be a topic of interest in forefronts of natural science. In addition to experimental science, computational modeling can give useful information and help us to understand biochemical issues at molecular, atomic and even electronic levels.

    Deoxyribonucleic acid (DNA), the hereditary basis of life’s genetic identity, has always been major topic of discussions since its structure was built in 1953. However, harmful UV radiation from sunlight can make damage to DNA molecules and eventually give rise to DNA damaging biological consequences, like mutagenesis, carcinogenesis, and cell death. Photostability, photodamage, and photorepair are of vital importance in the photophysics and photochemistry of DNA. In this thesis, we have applied high level computer-aided theoretical methods to explore the underlying mechanisms for these three critical issues of DNA. Special attentions are paid to the following aspects: the properties of the excited states, the design of relevant computational models and the effects of biological environments.

    We have systematically studied the excited state properties of DNA from single base to base pair and oligonucleotides, where the concerted base pairing and base stacking effects was found to play important roles in DNA photostability. The UV-light induced isomerization mechanism between two photoproducts of DNA photodamage has been revealed in different biological environments. In association with DNA photodamage, the related photorepair processes have been proposed for different lesions in photolyase which is a catalytic enzyme for DNA, and the calculated results well explained the experimental observations. In particular, the internal and external properties of flavin cofactors have been extensively studied by combining the electronic structure and spectroscopic calculations. We have examined the effects of the intramolecular hydrogen bond on spectroscopic properties of flavins. The good agreements with the experimental spectra indicated that the biological self-regulation acted critical role in these biological systems.

  • 2927.
    Ai, Yuejie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Cui, Ganglong
    Beijing Normal University.
    Fang, Qiu
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Fang, Weihai
    Beijing Normal University.
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Exploring concerted effects of base pairing and stacking on the excited-state nature of DNA oligonucleotides by DFT and TD-DFT studies2011In: International Journal of Quantum Chemistry, ISSN 0020-7608, E-ISSN 1097-461X, Vol. 111, no 10, p. 2366-2377Article in journal (Refereed)
    Abstract [en]

    We have taken (dA)5, (dT)5, and (dA)5•(dT)5 as model systems to study concerted effects of base pairing and stacking on excited-state nature of DNA oligonucleotides using density functional theory (DFT) and time dependent DFTmethods. The spectroscopic states are determined to be of a partial A →A charge transfernature in the A•T oligonucleotides. The T → T charge-transfer transitionsproduce dark states, which are hidden in the energy region of the steady-stateabsorption spectra. This is different from the previous assignment that the T → Tcharge-transfer transition is responsible for a shoulder at the red side of the first strongabsorption band. The A →T charge-transfer states were predicted to have relativelyhigh energies in the A•T oligonucleotides. The present calculations predict that the T→A charge-transfer states are not involved in the spectra and excited-state dynamics ofthe A•T oligonucleotides. In addition, the influence of base pairing and stacking on thenature of the 1nΠ* and 1ΠΠ* states are discussed in detail.

  • 2928. Ai, Yuejie
    et al.
    Li, Xin
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Ji, Yongfei
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Song, Wei-Guo
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Hydrophobicity and Hydrophilicity Balance Determines Shape Selectivity of Suzuki Coupling Reactions Inside Pd@meso-SiO2 Nanoreactor2016In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 120, no 19, p. 10244-10251Article in journal (Refereed)
    Abstract [en]

    Molecular sorting and catalysis directed by shape selectivity have been extensively applied in porous extended frameworks for a low-carbon, predictable, renewable component of modern industry. A comprehensive understanding of the underlying recognition mechanism toward different shapes is unfortunately still missing, owing to the lack of structural and dynamic information under operating conditions. We demonstrate here that such difficulties can be overcome by state-of-the-art molecular dynamics simulations which provide atomistic details that are not accessible experimentally, as exemplified by our interpretation for the experimentally observed aggregation induced shape selectivity for Suzuki C-C coupling reaction catalyzed by Pd particles in mesoporous silica. It is found that both aggregation ability and aggregating pattern of the reactants play the decisive role in controlling the shape selectivity, which are in turn determined by the balance between the hydrophobicity and hydrophilicity of the reactants, or in other words, by the balance between the noncovalent hydrogen bonding interaction and van der Waals forces. A general rule that allows prediction of the shape selectivity of a reactant has been proposed and verified against experiments. We show that molecular modeling is a powerful tool for rational design of new mesoporous systems and for the control of catalytic reactions that are important for the petrochemical industry.

  • 2929.
    Ai, Yue-Jie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Liao, Rongzhen
    Stockholm University.
    Chen, Shilu
    Beijing Institute of Technology.
    Hua, Wei-Jie
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Fang, Wei-Hai
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Repair of DNA Dewar Photoproduct to (6-4) photoproduct in (6-4) Photolyase2011In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 115, no 37, p. 10976-10982Article in journal (Refereed)
    Abstract [en]

    Dewar photoproduct (Dewar PP) is the valence isomer of (6-4) photoproduct ((6-4)PP) in photodamaged DNA. Compared to the extensive studied CPD photoproducts, the underlying repair mechanisms for the (6-4)PP, and especially for the Dewar PP, are not well-established to date. In this paper, the repair mechanism of DNA Dewar photoproduct T(dew)C in (6-4) photolyase was elucidated using hybrid density functional theory. Our results showed that, during the repair process, the T(dew)C has to isomerize to T(6-4)C photolesion first via direct C6'-N3' bond cleavage facilitated by electron injection. This isomerization mechanism is energetically much more efficient than other possible rearrangement pathways. The calculations provide a theoretical interpretation to recent experimental observations.

  • 2930.
    Ai, Yue-Jie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry.
    Liao, Rong-zhen
    Chen, Shu-feng
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry.
    Fang, Wei-Hai
    Theoretical Studies on Photoisomerizations of (6-4) and Dewar Photolesions in DNA2010In: Journal of Physical Chemistry B, ISSN 1520-6106, E-ISSN 1520-5207, Vol. 114, no 44, p. 14096-14102Article in journal (Refereed)
    Abstract [en]

    The (6-4) photoproduct ((6-4) PP) is one of the main lesions in UV-induced DNA damage. The (6-4) PP and its valence isomer Dewar photoproduct (Dewar PP) can have a great threat of mutation and cancer but gained much less attention to date. In this study, with density functional theory (DFT) and the complete active space self-consistent field (CASSCF) methods, the photoisomerization processes between the (6-4) PP and the Dewar PP in the gas phase, the aqueous solution, and the photolyase have been carefully examined. Noticeably, the solvent effect is treated with the CASPT2//CASSCF/Amber (QM/MM) method. Our calculations show that the conical intersection (Cl) points play a crucial role in the photoisomerization reaction between the (6-4) PP and the Dewar PP in the gas and the aqueous solution. The ultrafast internal conversion between the S-2 ((1)pi pi*) and the So states via a distorted intersection point is found to be responsible for the formation of the Dewar PP lesion at 313 nm, as observed experimentally. For the reversed isomeric process, two channels involving the "dark" excited states have been identified. In addition to the above passages, in the photolyase, a new electron-injection isomerization process as an efficient way for the photorepair of the Dewar PP is revealed.

  • 2931.
    Ai, Yue-Jie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Liao, Rong-Zhen
    Fang, Wei-Hai
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore2012In: Physical Chemistry, Chemical Physics - PCCP, ISSN 1463-9076, E-ISSN 1463-9084, Vol. 14, no 38, p. 13409-13414Article in journal (Refereed)
    Abstract [en]

    We present a systematic theoretical investigation on the overall ground state and excited-state isomerization reaction mechanism of ortho-green fluorescent protein chromophore (o-HBDI) using the density functional theory and the multireference methods. The calculated results and subsequent analysis suggest the possible isomerization mechanism for o-HBDI. By comparison with experimental observation and detailed analysis, it is concluded that as initiated by the excited-state intramolecular proton transfer reaction, the conical intersection between the ground state and the excited state along the C4-C5 single-bond rotational coordinate is responsible for the rapid deactivation of o-HBDI.

  • 2932.
    Ai, Yuejie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Tian, Guangjun
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Liao, Rongzhen
    Stockholm University.
    Zhang, Qiong
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Fang, Weihai
    Beijing Normal University.
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Intrinsic property of flavin mononucleotide controls its optical spectra in three redox states2011In: ChemPhysChem, ISSN 1439-4235, E-ISSN 1439-7641, Vol. 12, no 16, p. 2899-2902Article in journal (Refereed)
  • 2933.
    Ai, Yue-Jie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Tian, Guangjun
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry and Biology.
    Role of non-Condon vibronic coupling and conformation change on two-photon absorption spectra of green fluorescent protein2013In: Molecular Physics, ISSN 0026-8976, E-ISSN 1362-3028, Vol. 111, no 9-11, p. 1316-1321Article in journal (Refereed)
    Abstract [en]

    Two-photon absorption spectra of green fluorescent proteins (GFPs) often show a blue-shift band compared to their conventional one-photon absorption spectra, which is an intriguing feature that has not been well understood. We present here a systematic study on one- and two-photon spectra of GFP chromophore by means of the density functional response theory and complete active space self-consistent field (CASSCF) methods. It shows that the popular density functional fails to provide correct vibrational progression for the spectra. The non-Condon vibronic coupling, through the localised intrinsic vibrational modes of the chromophore, is responsible for the blue-shift in the TPA spectra. The cis to trans isomerisation can be identified in high-resolution TPA spectra. Our calculations demonstrate that the high level ab initio multiconfigurational CASSCF method, rather than the conventional density functional theory is required for investigating the essential excited-state properties of the GFP chromophore.

  • 2934.
    Ai, Yuejie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
    Zhang, Feng
    KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
    Chen, Shufeng
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
    Fang, Weihai
    Importance of the Intramolecular Hydrogen Bond on the Photochemistry of Anionic Hydroquinone (FADH-) in DNA Photolyase2010In: Journal of Physical Chemisty Letters, ISSN 1948-7185, Vol. 1, p. 743-747Article in journal (Refereed)
    Abstract [en]

    The design of a proper molecular model with a good balance between the size of the model system and the computational capacity is essential for theoretical modeling of biological systems. We have shown in this letter that the often used model system, a lumiflavin (7,8-dimethy-10-methyl-isoalloxazine), can not correctly describe geometrical and electronic structures of FADHin DNA photolyase. The intramolecular hydrogen bond between the isoalloxazine ring and the ribityl moiety is found to play a significant role in controlling photochemical properties of FADHin DNA photolyase

  • 2935.
    Ai, Yue-Jie
    et al.
    KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
    Zhang, Feng
    KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
    Cui, Gang-Long
    Luo, Yi
    KTH, School of Biotechnology (BIO), Theoretical Chemistry (closed 20110512).
    Fang, Wei-Hai
    Ultrafast deactivation processes in the 2-aminopyridine dimer and the adenine-thymine base pair: Similarities and differences2010In: Journal of Chemical Physics, ISSN 0021-9606, E-ISSN 1089-7690, Vol. 133, no 6, p. 064302-Article in journal (Refereed)
    Abstract [en]

    2-aminopyridine dimer has frequently been used as a model system for studying photochemistry of DNA base pairs. We examine here the relevance of 2-aminopyridine dimer for a Watson-Crick adenine-thymine base pair by studying UV-light induced photodynamics along two main hydrogen bridges after the excitation to the localized (1)pi pi(*) excited-state. The respective two-dimensional potential-energy surfaces have been determined by time-dependent density functional theory with Coulomb-attenuated hybrid exchange-correlation functional (CAM-B3LYP). Different mechanistic aspects of the deactivation pathway have been analyzed and compared in detail for both systems, while the related reaction rates have also be obtained from Monte Carlo kinetic simulations. The limitations of the 2-aminopyridine dimer as a model system for the adenine-thymine base pair are discussed. (C) 2010 American Institute of Physics. [doi:10.1063/1.3464485]

  • 2936. Aiba, N
    et al.
    Giroud, C
    Honda, M
    Delabie, E
    Frassinetti, Lorenzo
    KTH, School of Electrical Engineering (EES), Fusion Plasma Physics.
    Saarelma, S
    Hillesheim, J
    Pamela, S
    Wiesen, S
    Maggi, C
    Urano, H
    Drewelow, P
    Leyland, M
    Moulton, D
    Menmuir, S
    Diamagnetic MHD Equations for Plasmas with Fast Flow and its Application to ELM Analysis in JT-60U and JET-ILW2016In: 26th IAEA Fusion Energy Conference, 17-22 October 2016, 2016Conference paper (Refereed)
  • 2937. Aiba, N.
    et al.
    Giroud, C.
    Honda, M.
    Delabie, E.
    Saarelma, S.
    Frassinetti, L
    KTH, School of Electrical Engineering (EES), Fusion Plasma Physics.
    Lupelli, I.
    Casson, F. J.
    Pamela, S.
    Urano, H.
    Maggi, C. F.
    Numerical analysis of ELM stability with rotation and ion diamagnetic drift effects in JET2017In: Nuclear Fusion, ISSN 0029-5515, E-ISSN 1741-4326, Vol. 57, no 12, article id 126001Article in journal (Refereed)
    Abstract [en]

    Stability to the type-I edge localized mode (ELM) in JET plasmas was investigated numerically by analyzing the stability to a peeling-ballooning mode with the effects of plasma rotation and ion diamagnetic drift. The numerical analysis was performed by solving the extended Frieman-Rotenberg equation with the MINERVA-DI code. To take into account these effects in the stability analysis self-consistently, the procedure of JET equilibrium reconstruction was updated to include the profiles of ion temperature and toroidal rotation, which are determined based on the measurement data in experiments. With the new procedure and MINERVA-DI, it was identified that the stability analysis including the rotation effect can explain the ELM trigger condition in JET with ITER like wall (JET-ILW), though the stability in JET with carbon wall (JET-C) is hardly affected by rotation. The key difference is that the rotation shear in JET-ILW plasmas analyzed in this study is larger than that in JET-C ones, the shear which enhances the dynamic pressure destabilizing a peeling-ballooning mode. In addition, the increase of the toroidal mode number of the unstable MHD mode determining the ELM trigger condition is also important when the plasma density is high in JET-ILW. Though such modes with high toroidal mode number are strongly stabilized by the ion diamagnetic drift effect, it was found that plasma rotation can sometimes overcome this stabilizing effect and destabilizes the peeling-ballooning modes in JET-ILW.

  • 2938. Aiba, N
    et al.
    Giroud, C
    Honda, M
    Delabie, E
    Saarelma, S
    Lupelli, I
    Frassinetti, Lorenzo
    KTH, School of Electrical Engineering (EES), Fusion Plasma Physics.
    Maggi, C
    Impact of rotation and ion diamagnetic drift on ELM stability in JET-ILW2016In: 33rd Annual meeting of Japan society of plasma science and nuclear fusion research JSPF, Nov 2016. Japan, 2016Conference paper (Other academic)
  • 2939. Aiba, N.
    et al.
    Pamela, S.
    Honda, M.
    Urano, H.
    Giroud, C.
    Delabie, E.
    Frassinetti, Lorenzo
    KTH, School of Electrical Engineering (EES), Fusion Plasma Physics.
    Lupelli, I.
    Hayashi, N.
    Huijsmans, G.
    Analysis of ELM stability with extended MHD models in JET, JT-60U and future JT-60SA tokamak plasmas2018In: Plasma Physics and Controlled Fusion, ISSN 0741-3335, E-ISSN 1361-6587, Vol. 60, no 1, article id 014032Article in journal (Refereed)
    Abstract [en]

    The stability with respect to a peeling-ballooning mode (PBM) was investigated numerically with extended MHD simulation codes in JET, JT-60U and future JT-60SA plasmas. The MINERVA-DI code was used to analyze the linear stability, including the effects of rotation and ion diamagnetic drift (omega(*i)), in JET-ILW and JT-60SA plasmas, and the JOREK code was used to simulate nonlinear dynamics with rotation, viscosity and resistivity in JT-60U plasmas. It was validated quantitatively that the ELM trigger condition in JET-ILW plasmas can be reasonably explained by taking into account both the rotation and omega(*i) effects in the numerical analysis. When deuterium poloidal rotation is evaluated based on neoclassical theory, an increase in the effective charge of plasma destabilizes the PBM because of an acceleration of rotation and a decrease in omega(*i). The difference in the amount of ELM energy loss in JT-60U plasmas rotating in opposite directions was reproduced qualitatively with JOREK. By comparing the ELM affected areas with linear eigenfunctions, it was confirmed that the difference in the linear stability property, due not to the rotation direction but to the plasma density profile, is thought to be responsible for changing the ELM energy loss just after the ELM crash. A predictive study to determine the pedestal profiles in JT-60SA was performed by updating the EPED1 model to include the rotation and w*i effects in the PBM stability analysis. It was shown that the plasma rotation predicted with the neoclassical toroidal viscosity degrades the pedestal performance by about 10% by destabilizing the PBM, but the pressure pedestal height will be high enough to achieve the target parameters required for the ITER-like shape inductive scenario in JT-60SA.

  • 2940.
    Aichmayer, Lukas
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Solar Receiver Design and Verification for Small Scale Polygeneration Unit2011Independent thesis Advanced level (degree of Master (Two Years)), 30 credits / 45 HE creditsStudent thesis
    Abstract [en]

    Against a backdrop of our world’s changing climate solar thermal power generation shows great potential to move global energy production away from fossil fuels to non-polluting sources. The Department of Energy Technology at the Royal Institute of Technology Stockholm is contributing to the development and research of solar thermal power by building a solar driven small scale polygeneration unit based on an externally fired micro gas turbine.

    This project focused on the design, analysis and verification of a high temperature solar receiver for integration into this planned solar polygeneration unit. Mean irradiance levels at the focal spot of the solar receiver of 5.5 MW/m² and peak levels of 14 MW/m² were identified as major design challenges. A preliminary heat transfer analysis found volumetric receivers to be the only applicable receiver type capable of withstanding these expected high irradiance levels.

    With volumetric receivers selected as the receiver type, a basic volumetric receiver model was evaluated using a multi-objective optimization tool based on advanced evolutionist algorithms and a numerical heat transfer model. The results were a set of Pareto-optimal solutions showing a tradeoff between a pressure drop in the receiver and material temperature especially at the window of the receiver.

    A parameter study was conducted based on the previous analysis to improve specific aspects of the initial design using a value of benefit analysis to evaluate the different designs. Of all the investigated receiver parameters, the absorber properties and shape had the biggest positive influence on material temperature and thermal stresses without significantly increasing the pressure drop. External cooling of the receiver window with ambient air was found to beneficial influence the window temperature without greatly decreasing the thermal efficiency. For non-uniform high irradiance levels ceramic absorber materials were found to be most suitable. Furthermore, mechanically decoupling the window and the absorber from their surrounding parts was found to be very important; enabling them to expand more or less independently with changing temperature minimizing thermal stresses.

    It can be concluded, when properly designed, volumetric solar receivers for small scale solar polygeneration units are feasible as designs with material temperature, thermal stresses and pressure drop below acceptable limit were found within this work.

  • 2941.
    Aichmayer, Lukas
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Solar receiver development for gas-turbine based solar dish systems2018Doctoral thesis, comprehensive summary (Other academic)
    Abstract [en]

    Small-scale concentrating solar power plants such as micro gas-turbine based solar dish systems have the potential to harness solar energy in an effective way and supply electricity to customers in remote areas. In such systems, the solar receiver transfers the power of concentrated solar radiation to the working fluid of the power conversion cycle. It is one of the key components as it needs to operate at high temperatures to ensure a high power cycle efficiency and under high flux densities to ensure a high receiver efficiency. In order to address these challenges and to ensure efficient and reliable operation innovative designs are needed.

    This research work focuses on the complete development of a novel solar receiver applying a new systematic design and analysis methodology. Therefore, a comprehensive receiver design and experimental evaluation process were developed and implemented. The design process includes the identification of technical specifications and requirements, the development of receiver design tools of different investigation levels coupled with multi-objective optimization tools, the evaluation of scaling effects between tests in the KTH high-flux solar simulator and the full-scale solar dish system. As a result of the design process a representative final receiver was established with material temperatures and stresses below critical limits while respecting the design specification.

    The experimental evaluation includes the enhancement of the KTH high-flux solar simulator to provide stable and reliable operating conditions, the precise characterization of the radiative boundary conditions, the design of a receiver test bed recreating the operating behavior of a gas-turbine, and the final receiver testing for multiple operating points. It was shown that the prototype reaches an efficiency of 69.3% for an air outlet temperature of 800°C and a mass flow of 29.5 g/s. For a larger mass flow of 38.4 g/s a receiver efficiency of 84.8% was achieved with an air outlet temperature of 749°C.

    The measurement results obtained were then used for a multi-point validation of the receiver design tools, resulting in a high level of confidence in the accuracy of the tools. The validated models were then harnessed to calculate the performance of a full-scale solar receiver integrated into the OMSoP solar dish system. It was shown that a solar receiver can be designed, which delivers air at 800°C with a receiver efficiency of 82.2%.

    Finally, the economic potential of micro gas-turbine based solar systems was investigated and it was shown that they are ideally suited for small-scale stand-alone and off-grid applications.

    The results of the receiver development highlight the feasibility of using volumetric solar receivers to provide heat input to micro gas-turbine based solar dish systems and no major hurdles were found.

  • 2942.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Garrido, Jorge
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Performance Improvements of the KTH High-Flux Solar Simulator2017In: AIP Conference Proceedings 1850, American Institute of Physics (AIP), 2017, Vol. 1850, article id 150001Conference paper (Refereed)
    Abstract [en]

    This paper presents the performance improvements implemented in the KTH high-flux solar simulator to deliver a total power on target closer to the working conditions of real CSP systems. Therefore, additional rectifiers were installed in the power conversion unit of the high-power lamps as well as the back reflector was coated providing more favorable spectral reflectance properties. The results of a single lamp/lens-combination show that the power on target in an aperture of 280mm in diameter was increased from 831W to 1446W while the peak flux was increased from 675kW/m² to 905kW/m².

  • 2943.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Garrido, Jorge
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Scaling effects of a novel solar receiver for a micro gas-turbine based solar dish system2018In: International Journal of Solar Energy, ISSN 0142-5919, E-ISSN 1477-2752, Vol. 162, p. 248-264Article in journal (Refereed)
    Abstract [en]

    Laboratory-scale component testing in dedicated high-flux solar simulators is a crucial step in the developmentand scale-up of concentrating solar power plants. Due to different radiative boundary conditions available inhigh-flux solar simulators and full-scale power plants the temperature and stress profiles inside the investigatedreceivers differ between these two testing platforms. The main objective of this work is to present a systematicscaling methodology for solar receivers to guarantee that experiments performed in the controlled environmentof high-flux solar simulators yield representative results when compared to full-scale tests. In this work theeffects of scaling a solar air receiver from the integration into the OMSoP full-scale micro gas-turbine based solardish system to the KTH high-flux solar simulator are investigated. Therefore, Monte Carlo ray-tracing routines ofthe solar dish concentrator and the solar simulator are developed and validated against experimental characterizationresults. The thermo-mechanical analysis of the solar receiver is based around a coupled CFD/FEManalysislinked with stochastic heat source calculations in combination with ray-tracing routines. A geneticmulti-objective optimization is performed to identify suitable receiver configurations for testing in the solarsimulator which yield representative results compared to full-scale tests. The scaling quality is evaluated using aset of performance and scaling indicators. Based on the results a suitable receiver configuration is selected forfurther investigation and experimental evaluation in the KTH high-flux solar simulator.

  • 2944.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Spelling, James
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Preliminary design and analysis of a novel solar receiver for a micro gas-turbine based solar dish system2015In: Solar Energy, ISSN 0038-092X, E-ISSN 1471-1257, Vol. 114, no 4, p. 378-396Article in journal (Refereed)
    Abstract [en]

    The solar receiver is one of the key components of hybrid solar micro gas-turbine systems, which would seem to present a number of advantages when compared with Stirling engine based systems and photovoltaic panels. In this study a solar receiver meeting the specific requirements for integration into a small-scale (10 kWel) dish-mounted hybrid solar micro gas-turbine system has been designed with a special focus on the trade-offs between efficiency, pressure drop, material utilization and economic design. A situation analysis, performed using a multi-objective optimizer, has shown that a pressurized configuration, where the solar receiver is placed before the turbine, is superior to an atmospheric configuration with the solar receiver placed after the turbine. Based on these initial design results, coupled CFD/FEM simulations have been performed, allowing detailed analysis of the designs under the expected operating conditions. The results show that the use of volumetric solar receivers to provide heat input to micro gas-turbine based solar dish systems appears to be a promising solution; with material temperatures and material stresses well below permissible limits.

  • 2945.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Spelling, James
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Small Scale Hybrid Solar Power Plants for Polygeneration in Rural Areas2014In: Energy Procedia 57, Elsevier, 2014, Vol. 57, p. 1536-1545Conference paper (Refereed)
    Abstract [en]

    Small scale micro gas-turbine based hybrid solar power plants are a promising technology for supplying multiple energy services in a controllable and sustainable manner using polygeneration technologies. Compared to a conventional diesel generator based system where electricity is used as the main energy carrier, these systems show great potential to reduce costs and carbon dioxide emissions. Depending on the design, carbon dioxide emissions are reduced by around 9% and equivalent annual costs are reduced by 21% - 26%, as compared to a base polygeneration configuration where cooling services are provided centrally by an absorption chiller without integrating a solar micro gas-turbine. Compared to the system where electricity is used as the main energy carrier a reduction of equivalent annual costs of up to 20% and a reduction of carbon dioxide emissions of up to 33.5% was achieved.

  • 2946.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Spelling, James
    IMDEA Energy Institute, Spain.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Thermoeconomic Analysis of a Solar Dish Micro Gas-Turbine Combined-Cycle Power Plant2015In: Energy Procedia 69, Elsevier, 2015, Vol. 69, p. 1089-1099Conference paper (Refereed)
    Abstract [en]

    A novel solar power plant concept is presented, based on the use of a coupled network of hybrid solar-dish micro gas-turbines, driving a centralized heat recovery steam generator and steam-cycle, thereby seeking to combine the high efficiency of the solar dish collector with a combined-cycle power block. A 150 MWe solar power plant was designed based on this concept and compared with both a conventional combined-cycle power plant and a hybrid solar-tower combined-cycle. The solar dish combined-cycle power plant could reach higher levels of solar integration than other concepts but was shown to be more expensive with current technology; solar electricity costs are double those of the hybrid solar-tower combined cycle.

  • 2947.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Spelling, James
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Fransson, Torsten
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Micro Gas-Turbine Design for Small-Scale Hybrid Solar Power Plants2013In: Proceedings of the ASME Turbo Expo 2013. San Antonio, USA. June 3-7, ASME , 2013Conference paper (Refereed)
    Abstract [en]

    Hybrid solar micro gas-turbines are a promising technology for supplying controllable low-carbon electricity in off-grid regions. A thermoeconomic model of three different hybrid micro gas-turbine power plant layouts has been developed, allowing their environmental and economic performance to be analyzed. In terms of receiver design, it was shown that the pressure drop is a key criterion. However, for recuperated layouts the combined pressure drop of the recuperator and receiver is more important. The internally-fired recuperated micro gas-turbine was shown to be the most promising solution of the three configurations evaluated, in terms of both electricity costs and carbon emissions. Compared to competing diesel generators, the electricity costs from hybrid solar units are between 10% and 43% lower, while specific CO2 emissions are reduced by 20 – 35%.

  • 2948.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Spelling, James
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Fransson, Torsten
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Micro Gas-Turbine Design for Small-Scale Hybrid Solar Power Plants2013In: Journal of engineering for gas turbines and power, ISSN 0742-4795, E-ISSN 1528-8919, Vol. 135, no 11, p. 113001-Article in journal (Refereed)
    Abstract [en]

    Hybrid solar micro gas-turbines are a promising technology for supplying controllable low-carbon electricity in off-grid regions. A thermoeconomic model of three different hybrid micro gas-turbine power plant layouts has been developed, allowing their environmental and economic performance to be analyzed. In terms of receiver design, it was shown that the pressure drop is a key criterion. However, for recuperated layouts, the combined pressure drop of the recuperator and receiver is more important. In terms of both electricity costs and carbon emissions, the internally-fired recuperated micro gas-turbine was shown to be the most promising solution of the three configurations evaluated. Compared to competing diesel generators, the electricity costs from hybrid solar units are between 10% and 43% lower, while specific CO2 emissions are reduced by 20–35%.

  • 2949.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Spelling, James
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Wang, Wujun
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Design and Analysis of a Solar Receiver for Micro Gas Turbine based Solar Dish Systems2012In: Proceedings of the International SolarPACES Conference 2012. Marrakesh, Morocco. September 11-14, 2012, 2012Conference paper (Refereed)
    Abstract [en]

    The solar receiver is one of the key components of hybrid solar micro gas turbine systems which would seem to present a number of advantages when compared with Stirling engine systems. A solar receiver meeting the specific requirements for integration into the power conversion system of the solar laboratory of the Royal Institute of Technology - which will emulate a solar dish system and is currently under construction - was designed. The simulations that have been performed utilize a heat transfer and pressure drop model coupled with a multi-objective optimizer as well as a coupled-CFD/FEM tool, allowing determination of the ideal receiver design for the expected conditions. The analysis has shown that the use of volumetric solar receivers to provide heat input to micro gas turbine based solar dish systems appears to be a promising solution; with pressurized receiver configurations as the preferred choice due to significant lower pressure drops as compared to atmospheric configurations.

  • 2950.
    Aichmayer, Lukas
    et al.
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Wang, Wujun
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Garrido, Jorge
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Laumert, Björn
    KTH, School of Industrial Engineering and Management (ITM), Energy Technology, Heat and Power Technology.
    Experimental evaluation of a novel solar receiver for a micro gas-turbine based solar dish system in the KTH high-flux solar simulator2018In: Energy, ISSN 0360-5442, E-ISSN 1873-6785, Vol. 159, p. 184-195Article in journal (Refereed)
    Abstract [en]

    This work presents the experimental evaluation of a novel pressurized high-temperature solar air receiver for the integration into a micro gas-turbine solar dish system reaching an air outlet temperature of 800°C. The experiments are conducted in the controlled environment of the KTH high-flux solar simulator with well-defined radiative boundary conditions. Special focus is placed on providing detailed information to enable the validation of numerical models. The solar receiver performance is evaluated for a range of operating points and monitored using multiple point measurements. The porous absorber front surface temperature is measured continuously as it is one of the most critical components for the receiver performance and model validation. Additionally, pyrometer line measurements of the absorber and glass window are taken for each operating point. The experiments highlight the feasibility of volumetric solar receivers for micro gas-turbine based solar dish systems and no major hurdles were found. A receiver efficiency of 84.8% was reached for an air outlet temperature of 749°C. When using a lower mass flow, an air outlet temperature of 800°C is achieved with a receiver efficiency of 69.3%. At the same time, all material temperatures remain below permissible limits and no deterioration of the porous absorber is found.

56575859606162 2901 - 2950 of 125360
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