Peer Reviewed Publications

Journal Article - Online First Nguyen, B. D.FZJ* ; Potapenko, P.FZJ* ; Demirci, A.FZJ* ; Govind, K.FZJ* ; Bompas, S.FZJ* ; Sandfeld, S. (Corresponding author)FZJ*
Efficient surrogate models for materials science simulations: Machine learning-based prediction of microstructure properties
Machine learning with applications 16, 100544 - (2024) [10.1016/j.mlwa.2024.100544]2024 DBCoverage Fulltext BibTeX | EndNote: XML, Text | RIS

Journal Article Govind, K.FZJ* ; Oliveros, D. ; Dlouhy, A. ; Legros, M. ; Sandfeld, S. (Corresponding author)FZJ*
Deep learning of crystalline defects from TEM images: a solution for the problem of ‘never enough training data’
Machine learning: science and technology 5(1), 015006 - (2024) [10.1088/2632-2153/ad1a4e]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Chandran, A. ; Ganesan, H. (Corresponding author)FZJ* ; Cyron, C. J.
Studying the effects of Nb on high-temperature deformation in TiAl alloys using atomistic simulations
Materials and design 237, 112596 - (2024) [10.1016/j.matdes.2023.112596]2024 OpenAccess Files Fulltext BibTeX | EndNote: XML, Text | RIS

Journal Article Bosoni, E. ; Beal, L. ; Bercx, M. ; Blaha, P. ; Blügel, S.FZJ* ; Bröder, J.FZJ* ; Callsen, M. ; Cottenier, S. ; Degomme, A. ; Dikan, V. ; Eimre, K. ; Flage-Larsen, E. ; Fornari, M. ; Garcia, A. ; Genovese, L. ; Giantomassi, M. ; Huber, S. P. ; Janssen, H.FZJ* ; Kastlunger, G. ; Krack, M. ; Kresse, G. ; Kühne, T. D. ; Lejaeghere, K. ; Madsen, G. K. H. ; Marsman, M. ; Marzari, N. ; Michalicek, G.FZJ* ; Mirhosseini, H. ; Müller, T. M. A. ; Petretto, G. ; Pickard, C. J. ; Poncé, S. ; Rignanese, G.-M. ; Rubel, O. ; Ruh, T. ; Sluydts, M. ; Vanpoucke, D. E. P. ; Vijay, S. ; Wolloch, M. ; Wortmann, D.FZJ* ; Yakutovich, A. V. ; Yu, J. ; Zadoks, A. ; Zhu, B. ; Pizzi, G. (Corresponding author)
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Nature reviews / Physics 6, 45-58 (2024) [10.1038/s42254-023-00655-3]2024 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article - Online First Wellmann, P. ; Strüber, S. ; Steiner, J. ; Ihle, J. ; Schultheiss, J. ; Nguyen, B. D.FZJ* ; Sandfeld, S.FZJ* ; Salamon, M. ; Uhlmann, N.
(Invited) Application of 3D in-Situ X-Ray Visualization to Track the Formation of Dislocation Clusters during PVT Growth of SiC
Meeting abstracts MA2023-02(35), 1693 - 1693 (2023) [10.1149/MA2023-02351693mtgabs]2023 Fulltext BibTeX | EndNote: XML, Text | RIS

Contribution to a conference proceedings Ruzaeva, K.FZJ* ; Govind, K.FZJ* ; Legros, M. ; Sandfeld, S. (Corresponding author)FZJ*
Instance Segmentation of Dislocations in TEM Images
20232023 IEEE 23rd International Conference on Nanotechnology (NANO), Jeju CityJeju City, Korea, 2 Jul 2023 - 5 Jul 20232023-07-022023-07-05 IEEE 1-6 (2023) [10.1109/NANO58406.2023.10231169]2023 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Demirci, A.FZJ* ; Steinberger, D. ; Stricker, M. ; Merkert, N. ; Weygand, D. ; Sandfeld, S. (Corresponding author)FZJ*
Statistical analysis of discrete dislocation dynamics simulations: initial structures, cross-slip and microstructure evolution
Modelling and simulation in materials science and engineering 31(7), 075003 - (2023) [10.1088/1361-651X/acea39]2023 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Steiner, J. ; Nguyen, B. D.FZJ* ; Sandfeld, S.FZJ* ; Wellmann, P. J. (Corresponding author)
Prevention of Bunched Basal Plane Dislocation Arrays in 4H-SiC PVT-Growth
Solid state phenomena 343, 9 - 14 (2023) [10.4028/p-eu98j0]2023 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Strobl, R. (Corresponding author)FZJ* ; Budnitzki, M.FZJ* ; Sandfeld, S.FZJ*
Dislocation Motion Induced by Thermally Driven Phase Transformations
Proceedings in applied mathematics and mechanics 23(1), e202200244 (2023) [10.1002/pamm.202200244]2023 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Wellmann, P. J. (Corresponding author) ; Steiner, J. ; Strüber, S. ; Arzig, M. ; Salamon, M. ; Uhlmann, N. ; Nguyen, B. D.FZJ* ; Sandfeld, S.FZJ*
The processing chain of the wide bandgap semiconductor SiC – How small steps enabled a mature technology
Diamond and related materials 136, 109895 - (2023) [10.1016/j.diamond.2023.109895]2023 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Fehlemann, N. (Corresponding author) ; Aguilera, A. L. S. ; Sandfeld, S.FZJ* ; Bexter, F. ; Neite, M. ; Lenz, D. ; Könemann, M. ; Münstermann, S.
Identification of martensite bands in dual phase steels – a deep learning object detection approach using Faster R‐CNN
Steel research international 94(7), 2200836 (2023) [10.1002/srin.202200836]2023 OpenAccess Files BibTeX | EndNote: XML, Text | RIS

Journal Article Nguyen, B. D. (Corresponding author)FZJ* ; Roder, M. ; Danilewsky, A. ; Steiner, J. ; Wellmann, P. ; Sandfeld, S.FZJ*
Automated analysis of X-ray topography of 4H-SiC wafers: Image analysis, numerical computations, and artificial intelligence approaches for locating and characterizing screw dislocations
Journal of materials research 38, 1254-1265 (2023) [10.1557/s43578-022-00880-z]2023 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Steinberger, D. ; Issa, I. ; Strobl, R.FZJ* ; Imrich, P. J. ; Kiener, D. (Corresponding author) ; Sandfeld, S. (Corresponding author)FZJ*
Data-mining of in-situ TEM experiments: Towards understanding nanoscale fracture
Computational materials science 216, 111830 - (2023) [10.1016/j.commatsci.2022.111830]2023 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Prakash, A. (Corresponding author)Extern* ; Sandfeld, S.FZJ*
Automated Analysis of Continuum Fields from Atomistic Simulations Using Statistical Machine Learning
Advanced engineering materials 24(12), 2200574 - (2022) [10.1002/adem.202200574]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Wallburg, F. (Corresponding author) ; Kuna, M. ; Budnitzki, M.FZJ* ; Schoenfelder, S.
A material removal coefficient for diamond wire sawing of silicon
Wear 504-505, 204400 - (2022) [10.1016/j.wear.2022.204400]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Laschet, G. (Corresponding author) ; Abouridouane, M. (Corresponding author) ; Fernández, M. (Corresponding author) ; Budnitzki, M. (Corresponding author)FZJ* ; Bergs, T. (Corresponding author)
Microstructure impact on the machining of two gear steels. Part 1: Derivation of effective flow curves
Materials science and engineering / A 845, 143125 - (2022) [10.1016/j.msea.2022.143125]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Roy, S.FZJ* ; Wille, S. ; Mordehai, D. ; Volkert, C. A. (Corresponding author)
Investigating Nanoscale Contact Using AFM-Based Indentation and Molecular Dynamics Simulations
Metals 12(3), 489 - (2022) [10.3390/met12030489]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Zhang, C.FZJ* ; Song, H.Extern* ; Oliveros, D. ; Fraczkiewicz, A. ; Legros, M. ; Sandfeld, S. (Corresponding author)FZJ*
Data-mining of in-situ TEM experiments: On the dynamics of dislocations in CoCrFeMnNi alloys
Acta materialia 241, 118394 - (2022) [10.1016/j.actamat.2022.118394]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Vimal, M. ; Sandfeld, S.FZJ* ; Prakash, A. (Corresponding author)
Grain segmentation in atomistic simulations using orientation-based iterative self-organizing data analysis
Materialia 21, 101314 - (2022) [10.1016/j.mtla.2022.101314]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Roy, S.FZJ* ; Prakash, A. ; Sandfeld, S. (Corresponding author)FZJ*
Sintering of alumina nanoparticles: comparison of interatomic potentials, molecular dynamics simulations, and data analysis
Modelling and simulation in materials science and engineering 30(6), 065009 - (2022) [10.1088/1361-651X/ac8172]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Schlenz, H. (Corresponding author)FZJ* ; Sandfeld, S. (Corresponding author)FZJ*
Applications of Machine Learning to the Study of Crystalline Materials
Crystals 12(8), 1070 -1071 (2022) [10.3390/cryst12081070]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hu, J. ; Song, H. (Corresponding author)FZJ* ; Sandfeld, S.FZJ* ; Liu, X. (Corresponding author) ; Wei, Y.
Breakdown of Archard law due to transition of wear mechanism from plasticity to fracture
Tribology international 173, 107660 - (2022) [10.1016/j.triboint.2022.107660]2022 Embargoed OpenAccess Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Steiner, J. (Corresponding author) ; Nguyen, B. D.FZJ* ; Roder, M. ; Danilewsky, A. N. ; Sandfeld, S.FZJ* ; Wellmann, P. J.
Applicability of a Flat-Bed Birefringence Setup for the Determination of Threading Dislocations of Silicon Carbide Wafers
Materials science forum 1062, 113 - 118 (2022) [10.4028/p-y8n42h]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Wellmann, P. J. (Corresponding author) ; Arzig, M. ; Ihle, J. ; Kollmuss, M. ; Steiner, J. ; Mauceri, M. ; Crippa, D. ; La Via, F. ; Salamon, M. ; Uhlmann, N. ; Roder, M. ; Danilewsky, A. N. ; Nguyen, B. D.FZJ* ; Sandfeld, S.FZJ*
Review of Sublimation Growth of SiC Bulk Crystals
Materials science forum 1062, 104 - 112 (2022) [10.4028/p-05sz31]2022 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Huber, S. P. (Corresponding author) ; Bosoni, E. ; Bercx, M. ; Bröder, J.FZJ* ; Degomme, A. ; Dikan, V. ; Eimre, K. ; Flage-Larsen, E. ; Garcia, A. ; Genovese, L. ; Gresch, D. ; Johnston, C. ; Petretto, G. ; Poncé, S. ; Rignanese, G.-M. ; Sewell, C. J. ; Smit, B. ; Tseplyaev, V.FZJ* ; Uhrin, M. ; Wortmann, D.FZJ* ; Yakutovich, A. V. ; Zadoks, A. ; Zarabadi-Poor, P. ; Zhu, B. ; Marzari, N. ; Pizzi, G. (Corresponding author)
Common workflows for computing material properties using different quantum engines
npj computational materials 7(1), 136 (2021) [10.1038/s41524-021-00594-6]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Serrao, P. H. ; Sandfeld, S.FZJ* ; Prakash, A. (Corresponding author)
OptiMic: A tool to generate optimized polycrystalline microstructures for materials simulations
SoftwareX 15, 100708 - (2021) [10.1016/j.softx.2021.100708]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Hu, J. ; Song, H. (Corresponding author)FZJ* ; Sandfeld, S.FZJ* ; Liu, X. (Corresponding author) ; Wei, Y.
Multiscale study of the dynamic friction coefficient due to asperity plowing
Friction 9(4), 822 - 839 (2021) [10.1007/s40544-020-0438-4]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Oliveros, D. ; Fraczkiewicz, A. ; Dlouhy, A. ; Zhang, C.FZJ* ; Song, H.FZJ* ; Sandfeld, S.FZJ* ; Legros, M. (Corresponding author)
Orientation-related twinning and dislocation glide in a cantor high entropy alloy at room and cryogenic temperature studied by in situ TEM straining
Materials chemistry and physics 272, 124955 - (2021) [10.1016/j.matchemphys.2021.124955]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Song, H.FZJ* ; Gunkelmann, N. ; Po, G. ; Sandfeld, S. (Corresponding author)FZJ*
Data-mining of dislocation microstructures: concepts for coarse-graining of internal energies
Modelling and simulation in materials science and engineering 29(3), 035005 - (2021) [10.1088/1361-651X/abdc6b]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Trampert, P. ; Rubinstein, D. ; Boughorbel, F. ; Schlinkmann, C. ; Luschkova, M. ; Slusallek, P. ; Dahmen, T. ; Sandfeld, S. (Corresponding author)FZJ*
Deep Neural Networks for Analysis of Microscopy Images—Synthetic Data Generation and Adaptive Sampling
Crystals 11(3), 258 - (2021) [10.3390/cryst11030258]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Budnitzki, M.FZJ* ; Sandfeld, S. (Corresponding author)FZJ*
A model for the interaction of dislocations with planar defects based on Allen–Cahn type microstructure evolution coupled to strain gradient elasticity
Journal of the mechanics and physics of solids 150, 104222 - (2021) [10.1016/j.jmps.2020.104222]2021 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Journal Article Samaee, V. (Corresponding author) ; Sandfeld, S.FZJ* ; Idrissi, H. ; Groten, J. ; Pardoen, T. ; Schwaiger, R.FZJ* ; Schryvers, D.
Dislocation structures and the role of grain boundaries in cyclically deformed Ni micropillars
Materials science and engineering / A 769, 138295 - (2020) [10.1016/j.msea.2019.138295]2020 Files Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

Last Modified: 31.10.2023