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Bragone, F., Morozovska, K., Rosén, T., Laneryd, T., Söderberg, D. & Markidis, S. (2025). Automatic learning analysis of flow-induced birefringence in cellulose nanofibrils. Journal of Computational Science, 85, Article ID 102536.
Open this publication in new window or tab >>Automatic learning analysis of flow-induced birefringence in cellulose nanofibrils
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2025 (English)In: Journal of Computational Science, ISSN 1877-7503, E-ISSN 1877-7511, Vol. 85, article id 102536Article in journal (Refereed) Published
Abstract [en]

Cellulose Nanofibrils (CNFs), highly present in nature, can be used as building blocks for future sustainable materials, including strong and stiff filaments. A rheo-optical flow-stop technique is used to conduct experiments to characterize the CNFs by studying Brownian dynamics through the CNFs' birefringence decay after stop. As the experiments produce large quantities of data, we reduce their dimensionality using Principal Component Analysis (PCA) and exploit the possibility of visualizing the reduced data in two ways. First, we plot the principal components (PCs) as time series, and by training LSTM networks assigned for each PC time series with the data before the flow stop, we predict the behavior after the flow stop (Bragone et al., 2024). Second, we plot the first PCs against each other to create clusters that give information about the different CNF materials and concentrations. Our approach aims at classifying the CNF materials to varying concentrations by applying unsupervised machine learning algorithms, such as k-means and Gaussian Mixture Models (GMMs). Finally, we analyze the Autocorrelation Function (ACF) and the Partial Autocorrelation Function (PACF) of the first principal component, detecting seasonality in lower concentrations.

Place, publisher, year, edition, pages
Elsevier BV, 2025
Keywords
Cellulose nanofibrils, Principal component analysis, Long short-term memory, k-means, Gaussian mixture models
National Category
Probability Theory and Statistics
Identifiers
urn:nbn:se:kth:diva-360732 (URN)10.1016/j.jocs.2025.102536 (DOI)001425378400001 ()2-s2.0-85217011665 (Scopus ID)
Note

QC 20250303

Available from: 2025-03-03 Created: 2025-03-03 Last updated: 2025-05-02Bibliographically approved
Osawa, K., Gowda, V. K., Rosén, T., Roth, S. V., Söderberg, D., Shiomi, J. & Lundell, F. (2025). Regulating nanofibril assembly using diverse flow-focusing channels. Flow, 5, Article ID E12.
Open this publication in new window or tab >>Regulating nanofibril assembly using diverse flow-focusing channels
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2025 (English)In: Flow, E-ISSN 2633-4259, Vol. 5, article id E12Article in journal (Refereed) Published
Abstract [en]

Properties and functions of materials assembled from nanofibrils critically depend on alignment. A material with aligned nanofibrils is typically stiffer compared with a material with a less anisotropic orientation distribution. In this work, we investigate nanofibril alignment during flow focusing, a flow case used for spinning of filaments from nanofibril dispersions. In particular, we combine experimental measurements and simulations of the flow and fibril alignment to demonstrate how a numerical model can be used to investigate how the flow geometry affects and can be used to tailor the nanofibril alignment and filament shape. The confluence angle between sheath flow and core flow, the aspect ratio of the channel and the contractions in the sheath and/or core flow channels are varied. Successful spinning of stiff filaments requires: (i) detachment of the core flow from the top and bottom channel walls and (ii) a high and homogeneous fibril alignment. Somewhat expected, the results show that the confluence angle has a relatively small effect on alignment compared with contractions. Contractions in the sheath flow channels are seen to be beneficial for detachment, and contractions in the core flow channel are found to be an efficient way to increase and homogenise the degree of alignment.

Place, publisher, year, edition, pages
Cambridge University Press (CUP), 2025
Keywords
assembly, cellulose nanofibrils, flow-focusing, rotary diffusion, X-ray scattering
National Category
Fluid Mechanics
Identifiers
urn:nbn:se:kth:diva-364034 (URN)10.1017/flo.2025.8 (DOI)001486758600001 ()2-s2.0-105005317529 (Scopus ID)
Note

QC 20250603

Available from: 2025-06-02 Created: 2025-06-02 Last updated: 2025-06-03Bibliographically approved
Forslund, O. K., Sugiyama, J., Andreica, D., Umegaki, I., Nocerino, E., Brett, C., . . . Månsson, M. (2025). Revisiting NaxCoO2: A renewed magnetic phase diagram based on electrochemical reaction synthesis. Physical Review Research, 7(2), Article ID 023138.
Open this publication in new window or tab >>Revisiting NaxCoO2: A renewed magnetic phase diagram based on electrochemical reaction synthesis
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2025 (English)In: Physical Review Research, E-ISSN 2643-1564, Vol. 7, no 2, article id 023138Article in journal (Refereed) Published
Abstract [en]

The assertion of intrinsic material properties based on measured experimental data is being challenged by emerging sample synthesis protocols, which opens new avenues for discovering novel functionalities. In this study, we revisit one of the most widely studied strongly correlated materials of the early 2000s, NaxCoO2 (NCO). Leveraging the sensitivity of muon spin rotation and relaxation (μ+SR) measurements, we discern significant differences between NCO samples synthesized via conventional solid-state reaction (SSR) and our electrochemical reaction (ECR) approach. Contrary to SSR-synthesized Na0.7CoO2, which exhibits a nonmagnetic ground state, our ECR-derived sample showcases an antiferromagnetic (AF) order from x≥0.7, challenging established phase boundaries. We attribute the observed magnetic phenomena in ECR-NCO to long-range order of Na-ions and/or vacancies, as well as the inherent flexibility of the crystal framework. Our study holds implications for tailoring and optimization of next-generation devices based on layered materials.

Place, publisher, year, edition, pages
American Physical Society (APS), 2025
National Category
Condensed Matter Physics Materials Chemistry
Identifiers
urn:nbn:se:kth:diva-363793 (URN)10.1103/PhysRevResearch.7.023138 (DOI)2-s2.0-105004724059 (Scopus ID)
Note

QC 20250528

Available from: 2025-05-21 Created: 2025-05-21 Last updated: 2025-05-28Bibliographically approved
Wegele, P. & Söderberg, D. (2024). Experimental method for investigating the dynamic compression behaviour of fibre-reinforced polyurethane shoe press belts under press nip conditions. Composites Part C: Open Access, 14, Article ID 100476.
Open this publication in new window or tab >>Experimental method for investigating the dynamic compression behaviour of fibre-reinforced polyurethane shoe press belts under press nip conditions
2024 (English)In: Composites Part C: Open Access, E-ISSN 2666-6820, Vol. 14, article id 100476Article in journal (Refereed) Published
Abstract [en]

An experimental method was developed to examine the dynamic compression properties of structured polyurethane composites used as press belts within a shoe press of a paper machine. The objective was to investigate the influences of the geometrical surface structure and the matrix material composition on the compression properties. Two polyurethane formulations were tested under varying specimen conditions. The results show that the dynamic compression modulus increases with the applied load rate and that temperature and water saturation reduce the influence of dynamic effects on the compression modulus. Furthermore, it was observed that modifications of the matrix material have a more significant impact on the dynamic compression modulus than adaptions in the geometrical structure. This is addressed to the relatively small variations in possible surface designs. Finally, a rate-sensitivity index is introduced to quantify the tested specimens’ rate-sensitive behaviour.

Place, publisher, year, edition, pages
Elsevier BV, 2024
Keywords
Mechanical properties, Mechanical testing, Polymer-matrix composites (PMCs)
National Category
Applied Mechanics
Identifiers
urn:nbn:se:kth:diva-348317 (URN)10.1016/j.jcomc.2024.100476 (DOI)001252447000001 ()2-s2.0-85195447464 (Scopus ID)
Note

QC 20240624

Available from: 2024-06-20 Created: 2024-06-20 Last updated: 2024-07-05Bibliographically approved
Nygård, K., Rosén, T., Gordeyeva, K., Söderberg, D., Cerenius, Y. & et al., . (2024). ForMAX – a beamline for multiscale and multimodal structural characterization of hierarchical materials. Journal of Synchrotron Radiation, 31(2), 363-377
Open this publication in new window or tab >>ForMAX – a beamline for multiscale and multimodal structural characterization of hierarchical materials
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2024 (English)In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 31, no 2, p. 363-377Article in journal (Refereed) Published
Abstract [en]

The ForMAX beamline at the MAX IV Laboratory provides multiscale and multimodal structural characterization of hierarchical materials in the nanometre to millimetre range by combining small- and wide-angle X-ray scattering with full-field microtomography. The modular design of the beamline is optimized for easy switching between different experimental modalities. The beamline has a special focus on the development of novel fibrous materials from forest resources, but it is also well suited for studies within, for example, food science and biomedical research.

Place, publisher, year, edition, pages
International Union of Crystallography (IUCr), 2024
Keywords
fibrous materials, full-field X-ray microtomography, hierarchical materials, multimodal structural characterization, multiscale structural characterization, small-angle X-ray scattering, wide-angle X-ray scattering
National Category
Composite Science and Engineering Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:kth:diva-344572 (URN)10.1107/S1600577524001048 (DOI)38386565 (PubMedID)2-s2.0-85186960905 (Scopus ID)
Note

QC 20240325

Available from: 2024-03-20 Created: 2024-03-20 Last updated: 2024-03-25Bibliographically approved
Betker, M., Erichlandwehr, T., Sochor, B., Erbes, E., Kurmanbay, A., Alon, Y., . . . Roth, S. V. (2024). Micrometer‐Thin Nanocellulose Foils for 3D Organic Electronics. Advanced Functional Materials, 34(40)
Open this publication in new window or tab >>Micrometer‐Thin Nanocellulose Foils for 3D Organic Electronics
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2024 (English)In: Advanced Functional Materials, ISSN 1616-301X, E-ISSN 1616-3028, Vol. 34, no 40Article in journal (Refereed) Published
Abstract [en]

Cellulose is a natural polymer with great properties such as high optical transparency and mechanical strength, flexibility, and biodegradability. Hence, cellulose-based foils are suitable for the replacement of synthetic polymers as substrate materials in organic electronics. This article reports the fabrication of ultrathin, free-standing cellulose foils by spraying aqueous 2,2,6,6-tetramethylpiperidine-1-oxyl-nanocellulose (TEMPO) fibrils ink layer-by-layer on a hot substrate using a movable spray nozzle. The resulting foils are only 2 ± 1 µm in thickness with an average basis weight of 1.9 g m−2, which ranges in the same scale as the world's thinnest paper. The suitability of these ultra-thin nanocellulose foils as a sustainable substrate material for organic electronic applications is demonstrated by testing the foils resistance against organic solvents. Furthermore, silver nanowires (AgNWs) and the blend poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) are integrated into the foils, and the foils are molded into 3D paper structures in order to create conductive, paper-based building blocks for organic electronics.

Place, publisher, year, edition, pages
Wiley, 2024
National Category
Materials Engineering
Identifiers
urn:nbn:se:kth:diva-355997 (URN)10.1002/adfm.202403952 (DOI)001227250700001 ()2-s2.0-85193521275 (Scopus ID)
Funder
German Research Foundation (DFG), EXC 2089/1–390776260
Note

QC 20241107

Available from: 2024-11-07 Created: 2024-11-07 Last updated: 2024-11-07Bibliographically approved
Wegele, P., Rosén, T. & Söderberg, D. (2024). Multiphase distribution in partly saturated hierarchical nonwoven fibre networks under applied load using X-ray computed tomography. Experiments in Fluids, 65(9), Article ID 140.
Open this publication in new window or tab >>Multiphase distribution in partly saturated hierarchical nonwoven fibre networks under applied load using X-ray computed tomography
2024 (English)In: Experiments in Fluids, ISSN 0723-4864, E-ISSN 1432-1114, Vol. 65, no 9, article id 140Article in journal (Refereed) Published
Abstract [en]

In many industrial applications, nonwoven fibre networks are facilitated to operate under partly saturated conditions, allowing for filtration, liquid absorption and liquid transport. Resolving the governing liquid distribution in loaded polyamide-6 (PA6) fibre networks using X-ray computed micro-tomography is a challenge due to the similar X-ray attenuation coefficients of water and PA6 and limitations in using background subtraction techniques if the network is deformed, which will be the case if subjected to compression. In this work, we developed a method using a potassium iodide solution in water to enhance the liquid’s attenuation coefficient without modifying the water’s rheological properties. Therefore, we studied the evolving liquid distribution in loaded and partly saturated PA6 fibre networks on the microscale. Increasing the external load applied to the network, we observed an exponential decrease in air content while the liquid content was constant, increasing the overall saturation with increasing network strain. Furthermore, the microstructural properties created by the punch-needle process in the manufacturing of the network significantly influenced the out-of-plane liquid distribution. The method has been proven helpful in understanding the results of adaptions in both the fibre network design and manufacturing process, allowing for investigating the resulting liquid distribution on a microscale.

Place, publisher, year, edition, pages
Springer Nature, 2024
National Category
Composite Science and Engineering
Identifiers
urn:nbn:se:kth:diva-353437 (URN)10.1007/s00348-024-03869-y (DOI)001308575800001 ()2-s2.0-85203308143 (Scopus ID)
Note

QC 20240925

Available from: 2024-09-19 Created: 2024-09-19 Last updated: 2024-10-04Bibliographically approved
Yao, Z., Rogalinski, J., Asimakopoulou, E. M., Zhang, Y., Gordeyeva, K., Atoufi, Z., . . . Villanueva-Perez, P. (2024). New opportunities for time-resolved imaging using diffraction-limited storage rings. Journal of Synchrotron Radiation, 31(Pt 5), 1299-1307
Open this publication in new window or tab >>New opportunities for time-resolved imaging using diffraction-limited storage rings
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2024 (English)In: Journal of Synchrotron Radiation, ISSN 0909-0495, E-ISSN 1600-5775, Vol. 31, no Pt 5, p. 1299-1307Article in journal (Refereed) Published
Abstract [en]

The advent of diffraction-limited storage rings (DLSRs) has boosted the brilliance or coherent flux by one to two orders of magnitude with respect to the previous generation. One consequence of this brilliance enhancement is an increase in the flux density or number of photons per unit of area and time, which opens new possibilities for the spatiotemporal resolution of X-ray imaging techniques. This paper studies the time-resolved microscopy capabilities of such facilities by benchmarking the ForMAX beamline at the MAX IV storage ring. It is demonstrated that this enhanced flux density using a single harmonic of the source allows micrometre-resolution time-resolved imaging at 2000 tomograms per second and 1.1 MHz 2D acquisition rates using the full dynamic range of the detector system.

Place, publisher, year, edition, pages
International Union of Crystallography, 2024
Keywords
diffraction-limited storage rings, ForMAX beamline, MAX IV, megahertz imaging, time-resolved microscopy
National Category
Subatomic Physics Atom and Molecular Physics and Optics
Identifiers
urn:nbn:se:kth:diva-353445 (URN)10.1107/S1600577524005290 (DOI)2-s2.0-85203165153 (Scopus ID)
Note

QC 20240924

Available from: 2024-09-19 Created: 2024-09-19 Last updated: 2025-02-14Bibliographically approved
Harder, C., Betker, M., Alexakis, A. E., Bulut, Y., Sochor, B., Söderberg, D., . . . Roth, S. V. (2024). Poly(sobrerol methacrylate) Colloidal Inks Sprayed onto Cellulose Nanofibril Thin Films for Anticounterfeiting Applications. ACS Applied Nano Materials, 7(9), 10840-10851
Open this publication in new window or tab >>Poly(sobrerol methacrylate) Colloidal Inks Sprayed onto Cellulose Nanofibril Thin Films for Anticounterfeiting Applications
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2024 (English)In: ACS Applied Nano Materials, E-ISSN 2574-0970, Vol. 7, no 9, p. 10840-10851Article in journal (Refereed) Published
Abstract [en]

The colloidal layer formation on porous materials is a crucial step for printing and applying functional coatings, which can be used to fabricate anticounterfeiting paper. The deposition of colloidal layers and subsequent thermal treatment allows for modifying the hydrophilicity of the surface of a material. In the present work, wood-based colloidal inks are applied by spray deposition on spray-deposited porous cellulose nanofibrils (CNF) films. The surface modification by thermal annealing of the fabricated colloid-cellulose hybrid thin films is investigated in terms of layering and hydrophobicity. The polymer colloids in the inks are core-shell nanoparticles with different sizes and glass transition temperatures (T-g), thus enabling different and low thermal treatment temperatures. The ratio between the core polymers, poly(sobrerol methacrylate) (PSobMA), and poly(-butyl methacrylate) (PBMA) determines the T-g and hence allows for tailoring of the T-g. The layer formation of the colloidal inks on the porous CNF layer depends on the imbibition properties of the CNF layer which is determined by their morphology. The water adhesion of the CNF layer decreases due to the deposition of the colloids and thermal treatment except for the colloids with a size smaller than the void size of the porous CNF film. In this case, the colloids are imbibed into the CNF layer when T-g of the colloids is reached and the polymer chains transit in a mobile phase. Tailored aggregate and nanoscale-embedded hybrid structures are achieved depending on the colloid properties. The imbibition of these colloids into the porous CNF films is verified with grazing incidence small-angle X-ray scattering. This study shows a route for tuning the nanoscale structure and macroscopic physicochemical properties useful for anticounterfeiting paper.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2024
Keywords
cellulose nanofibrils, thin films, wetting, colloids, colloidal films, surface energy, GISAXS
National Category
Paper, Pulp and Fiber Technology
Identifiers
urn:nbn:se:kth:diva-347168 (URN)10.1021/acsanm.4c01302 (DOI)001227987300001 ()2-s2.0-85192139557 (Scopus ID)
Note

QC 20240604

Available from: 2024-06-04 Created: 2024-06-04 Last updated: 2024-06-04Bibliographically approved
Bragone, F., Morozovska, K., Rosén, T., Söderberg, D. & Markidis, S. (2024). Time Series Predictions Based on PCA and LSTM Networks: A Framework for Predicting Brownian Rotary Diffusion of Cellulose Nanofibrils. In: Computational Science – ICCS 2024 - 24th International Conference, 2024, Proceedings: . Paper presented at 24th International Conference on Computational Science, ICCS 2024, Malaga, Spain, Jul 2 2024 - Jul 4 2024 (pp. 209-223). Springer Nature
Open this publication in new window or tab >>Time Series Predictions Based on PCA and LSTM Networks: A Framework for Predicting Brownian Rotary Diffusion of Cellulose Nanofibrils
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2024 (English)In: Computational Science – ICCS 2024 - 24th International Conference, 2024, Proceedings, Springer Nature , 2024, p. 209-223Conference paper, Published paper (Refereed)
Abstract [en]

As the quest for more sustainable and environmentally friendly materials has increased in the last decades, cellulose nanofibrils (CNFs), abundant in nature, have proven their capabilities as building blocks to create strong and stiff filaments. Experiments have been conducted to characterize CNFs with a rheo-optical flow-stop technique to study the Brownian dynamics through the CNFs’ birefringence decay after stop. This paper aims to predict the initial relaxation of birefringence using Principal Component Analysis (PCA) and Long Short-Term Memory (LSTM) networks. By reducing the dimensionality of the data frame features, we can plot the principal components (PCs) that retain most of the information and treat them as time series. We employ LSTM by training with the data before the flow stops and predicting the behavior afterward. Consequently, we reconstruct the data frames from the obtained predictions and compare them to the original data.

Place, publisher, year, edition, pages
Springer Nature, 2024
Keywords
Cellulose Nanofibrils, Long Short-Term Memory, Principal Component Analysis, Time Series
National Category
Computer Engineering
Identifiers
urn:nbn:se:kth:diva-351761 (URN)10.1007/978-3-031-63749-0_15 (DOI)001279316700015 ()2-s2.0-85199666172 (Scopus ID)
Conference
24th International Conference on Computational Science, ICCS 2024, Malaga, Spain, Jul 2 2024 - Jul 4 2024
Note

Part of ISBN 9783031637483

QC 20240813

Available from: 2024-08-13 Created: 2024-08-13 Last updated: 2025-05-02Bibliographically approved
Organisations
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0003-3737-0091

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