Microstructure – Data Science

BildIAM-CMS

Research

The research group "Microstructure - Data Science" deals with the data-driven characterization and optimization of microstructures. The main focus of the research work is on the development of characterization methods for microstructures as well as on the advancement and application of data-driven analysis tools that make the interaction between microstructural properties and macroscopic material behavior visible. For the generation of digital twins of microstructures and process chains, besides large-scale simulations with the phase-field method, generation algorithms for the creation of 3D microstructures with tailored properties are used. For this purpose, tools are developed on the basis of or with the integration of real microstructure images, which can realistically generate, for example, open-pored membrane structures, grain structures or rock fills. In cooperation with the research group "Research Data Management'' concepts for the highly automated handling and efficient evaluation of large data sets are developed and applied. The overall goal of the research questions includes bridging length scales by identifying macroscopic laws and developing predictive models as supporting component for an accelerated material design process.

Bild IAM-CMS
Overview group activities
Team
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Research assistant
Associated team members
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2024
A U-Net-based self-stitching method for generating periodic grain structures
Ji, Y.; Koeppe, A.; Altschuh, P.; Griem, L.; Rajagopal, D.; Nestler, B.
2024. Physica Scripta, 99 (7), Art.-Nr.: 076010. doi:10.1088/1402-4896/ad52cf
Towards automatic feature extraction and sample generation of grain structure by variational autoencoder
Ji, Y.; Koeppe, A.; Altschuh, P.; Rajagopal, D.; Zhao, Y.; Chen, W.; Chen, W.; Zhang, Y.; Zheng, Y.; Nestler, B.
2024. Computational Materials Science, 232, Art.-Nr.: 112628. doi:10.1016/j.commatsci.2023.112628
2023
An Interdisciplinary Approach to Manage Materials Data with Kadi4Mat and Chemotion
Altschuh, P.; Bräse, S.; Hartmann, T.; Jaeger, D.; Jung, N.; Koeppe, A.; Krauss, P.; Leister, C.; Nestler, B.; Schiefer, G.; Schreiber, C.; Selzer, M.; Starmann, M.; Tosato, G.
2023. E-Science-Tage 2023: Empower Your Research – Preserve Your Data. Ed.: Vincent Heuveline, Nina Bisheh, Philipp Kling, 264–269, heiBOOKS. doi:10.11588/heibooks.1288.c18086
Characterization of porous membranes using artificial neural networks
Zhao, Y.; Altschuh, P.; Santoki, J.; Griem, L.; Tosato, G.; Selzer, M.; Koeppe, A.; Nestler, B.
2023. Acta Materialia, 253, Art.-Nr.: 118922. doi:10.1016/j.actamat.2023.118922
Establishing structure–property linkages for wicking time predictions in porous polymeric membranes using a data-driven approach
Kunz, W.; Altschuh, P.; Bremerich, M.; Selzer, M.; Nestler, B.
2023. Materials Today Communications, 35, Art.-Nr.: 106004. doi:10.1016/j.mtcomm.2023.106004
A 3D computational method for determination of pores per inch (PPI) of porous structures
Jamshidi, F.; Kunz, W.; Altschuh, P.; Lu, T.; Laqua, M.; August, A.; Löffler, F.; Selzer, M.; Nestler, B.
2023. Materials Today Communications, 34, Art.-Nr.: 105413. doi:10.1016/j.mtcomm.2023.105413
A U-Net-Based Self-Stitching Method for Generating Periodic Grain Structures
Ji, Y.; Koeppe, A.; Altschuh, P.; Griem, L.; Rajagopal, D.; Nestler, B.; Chen, W.; Zhang, Y.; Zheng, Y.
2023. doi:10.48550/arXiv.2310.20379
An interdisciplinary approach to data management
Altschuh, P.; Bräse, S.; Hartmann, T.; Jaeger, D.; Jung, N.; Krauss, P.; Leister, C.; Nestler, B.; Schiefer, G.; Schreiber, C.; Selzer, M.; Starman, M.; Tosato, G.; Koeppe, A.
2023. E-Science-Tage 2023: Empower Your Research – Preserve Your Data (2023), Heidelberg, Germany, March 1–3, 2023. doi:10.11588/heidok.00033126
2022
KadiStudio: FAIR Modelling of Scientific Research Processes
Griem, L.; Zschumme, P.; Laqua, M.; Brandt, N.; Schoof, E.; Altschuh, P.; Selzer, M.
2022. Data Science Journal, 21 (1), Art.-Nr: 16. doi:10.5334/dsj-2022-016
Geometric flow control in lateral flow assays: Macroscopic single-phase modeling
Jamshidi, F.; Kunz, W.; Altschuh, P.; Bremerich, M.; Przybylla, R.; Selzer, M.; Nestler, B.
2022. Physics of Fluids, 34 (6), Art.-Nr.: 062110. doi:10.1063/5.0093316
Managing FAIR Tribological Data Using Kadi4Mat
Brandt, N.; Garabedian, N. T.; Schoof, E.; Schreiber, P. J.; Zschumme, P.; Greiner, C.; Selzer, M.
2022. Data, 7 (2), Art.-Nr. 15. doi:10.3390/data7020015
Computational Design and Characterisation of Gyroid Structures with Different Gradient Functions for Porosity Adjustment
Wallat, L.; Altschuh, P.; Reder, M.; Nestler, B.; Poehler, F.
2022. Materials, 15 (10), Art.-Nr.: 3730. doi:10.3390/ma15103730
2021
Kadi4Mat : A Research Data Infrastructure for Materials Science
Brandt, N.; Griem, L.; Herrmann, C.; Schoof, E.; Tosato, G.; Zhao, Y.; Zschumme, P.; Selzer, M.
2021. Data science journal, 20 (1), Art.-Nr.: 8. doi:10.5334/dsj-2021-008
MoMaF Science Data Center für Molekulare Materialforschung
Altschuh, P.; Bach, F.; Bräse, S.; Hartmann, T.; Jung, N.; Krauß, P.; Nestler, B.; Schiefer, G.; Schreiber, C.; Selzer, M.; Terzijska, D.
2021. E-Science-Tage 2019: Data to Knowledge (2021), Heidelberg, Germany, March 4–5, 2021
MoMaF Science Data Center für Molekulare Materialforschung
Altschuh, P.; Bach, F.; Bräse, S.; Hartmann, T.; Jung, N.; Krauß, P.; Nestler, B.; Schiefer, G.; Schreiber, C.; Selzer, M.; Terzijska, D.
2021. E-Science-Tage 2021: Share Your Research Data, Heidelberg, 04.03. - 05.03.2021. doi:10.11588/heidok.00029699
Phase-Field Model for the Simulation of Brittle-Anisotropic and Ductile Crack Propagation in Composite Materials
Herrmann, C.; Schneider, D.; Schoof, E.; Schwab, F.; Nestler, B.
2021. Materials, 14 (17), Art.-Nr.: 4956. doi:10.3390/ma14174956
Multiphase-field modeling of spinodal decomposition during intercalation in an Allen-Cahn framework
Daubner, S.; Kubendran Amos, P. G.; Schoof, E.; Santoki, J.; Schneider, D.; Nestler, B.
2021. Physical review materials, 5 (3), Article no: 035406. doi:10.1103/PhysRevMaterials.5.035406
2020
Skalenübergreifende Analyse makroporöser Membranen im Kontext digitaler Zwillinge. PhD dissertation
Altschuh, P.
2020, August 26. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000122904
A digital workflow for learning the reduced-order structure-property linkages for permeability of porous membranes
Yabansu, Y. C.; Altschuh, P.; Hötzer, J.; Selzer, M.; Nestler, B.; Kalidindi, S. R.
2020. Acta materialia, 195, 668–680. doi:10.1016/j.actamat.2020.06.003
Chemomechanische Modellierung der Wärmebehandlung von Stählen mit der Phasenfeldmethode. PhD dissertation
Schoof, E.
2020, April 1. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000117917
Influence of stress-free transformation strain on the autocatalytic growth of bainite: A multiphase-field analysis
Schoof, E.; Kubendran Amos, P. G.; Schneider, D.; Nestler, B.
2020. Materialia, 9, Article: 100620. doi:10.1016/j.mtla.2020.100620
The non-steady-state growth of divergent pearlite in Fe–C–Mn steels: a phase-field investigation
Mushongera, L. T.; Amos, P. G. K.; Schoof, E.; Kumar, P.; Nestler, B.
2020. Journal of materials science, 55, 5280–5295. doi:10.1007/s10853-019-04307-9
Limitations of preserving volume in Allen-Cahn framework for microstructural analysis
Kubendran Amos, P. G.; Schoof, E.; Santoki, J.; Schneider, D.; Nestler, B.
2020. Computational materials science, 173, Article No.109388. doi:10.1016/j.commatsci.2019.109388
Phase-field study of eutectic colony formation in NiAl-34Cr
Kellner, M.; Hötzer, J.; Schoof, E.; Nestler, B.
2020. Acta materialia, 182, 267–277. doi:10.1016/j.actamat.2019.10.028
2019
Non-Arrhenius grain growth in strontium titanate: Quantification of bimodal grain growth
Rheinheimer, W.; Schoof, E.; Selzer, M.; Nestler, B.; Hoffmann, M. J.
2019. Acta materialia, 174, 105–115. doi:10.1016/j.actamat.2019.05.040
Progress Report on Phase Separation in Polymer Solutions
Wang, F.; Altschuh, P.; Ratke, L.; Zhang, H.; Selzer, M.; Nestler, B.
2019. Advanced materials, 31 (26), Art.Nr. 1806733. doi:10.1002/adma.201806733
On the multiphase-field modeling of martensitic phase transformation in dual-phase steel using J2-viscoplasticity
Schoof, E.; Herrmann, C.; Streichhan, N.; Selzer, M.; Schneider, D.; Nestler, B.
2019. Modelling and simulation in materials science and engineering, 27 (2), 025010. doi:10.1088/1361-651X/aaf980
On the Volume-Diffusion Governed Termination-Migration Assisted Globularization in Two-Phase Solid-State Systems: Insights from Phase-Field Simulations
Amos, P. G. K.; Schoof, E.; Schneider, D.; Nestler, B.
2019. Proceedings of the 1st International Conference on Numerical Modelling in Engineering – Volume 2: Numerical Modelling in Mechanical and Materials Engineering, NME 2018, 28-29 August 2018, Ghent University, Belgium. Ed.: M. Abdel Wahab, 47–63, Springer. doi:10.1007/978-981-13-2273-0_5
Multiphase-Field Modeling and Simulation of Martensitic Phase Transformation in Heterogeneous Materials
Schoof, E.; Herrmann, C.; Schneider, D.; Hötzer, J.; Nestler, B.
2019. High Performance Computing in Science and Engineering ’18. Ed.: W. Nagel, 475–488, Springer International Publishing. doi:10.1007/978-3-030-13325-2_30
Phase-field study on the growth of magnesium silicide occasioned by reactive diffusion on the surface of Si-foams
Wang, F.; Altschuh, P.; Matz, A. M.; Heimann, J.; Matz, B. S.; Nestler, B.; Jost, N.
2019. Acta materialia, 170, 138–154. doi:10.1016/j.actamat.2019.03.008
Phase-field analysis of quenching and partitioning in a polycrystalline Fe-C system under constrained-carbon equilibrium condition
Kubendran Amos, P. G.; Schoof, E.; Streichan, N.; Schneider, D.; Nestler, B.
2019. Computational materials science, 159, 281–296. doi:10.1016/j.commatsci.2018.12.023
2018
Multiphase-field model of small strain elasto-plasticity according to the mechanical jump conditions
Herrmann, C.; Schoof, E.; Schneider, D.; Schwab, F.; Reiter, A.; Selzer, M.; Nestler, B.
2018. Computational mechanics, 62 (6), 1399–1412. doi:10.1007/s00466-018-1570-0
Chemo-elastic phase-field simulation of the cooperative growth of mutually-accommodating Widmanstätten plates
Kubendran Amos, P. G.; Schoof, E.; Schneider, D.; Nestler, B.
2018. Journal of alloys and compounds, 767, 1141–1154. doi:10.1016/j.jallcom.2018.07.138
Modeling of yield point phenomenon using multiphase field method
Kulkarni, N.; Herrmann, C.; Schoof, E.; Hoffrogge, P.; Schneider, D.; Nestler, B.; Schwab, R.
2018, May 11. International Materials Science Winter School (2018), Karlsruhe, Germany, November 5, 2018
Multiphase-field modeling of martensitic phase transformation in a dual-phase microstructure
Schoof, E.; Schneider, D.; Streichhan, N.; Mittnacht, T.; Selzer, M.; Nestler, B.
2018. International journal of solids and structures, 134, 181–194. doi:10.1016/j.ijsolstr.2017.10.032
Correction to: Small strain multiphase-field model accounting for configurational forces and mechanical jump conditions
Schneider, D.; Schoof, E.; Tschukin, O.; Reiter, A.; Herrmann, C.; Schwab, F.; Selzer, M.; Nestler, B.
2018. Computational mechanics, 61 (3), 297. doi:10.1007/s00466-017-1485-1
Small strain multiphase-field model accounting for configurational forces and mechanical jump conditions
Schneider, D.; Schoof, E.; Tschukin, O.; Reiter, A.; Herrmann, C.; Schwab, F.; Selzer, M.; Nestler, B.
2018. Computational mechanics, 61 (3), 277–295. doi:10.1007/s00466-017-1458-4
Characterization of a macro porous polymer membrane at micron-scale by Confocal-Laser-Scanning Microscopy and 3D image analysis
Ley, A.; Altschuh, P.; Thom, V.; Selzer, M.; Nestler, B.; Vana, P.
2018. Journal of membrane science, 564, 543–551. doi:10.1016/j.memsci.2018.07.062
2017
Simulation der martensitischen Transformation in polykristallinen Gefügen mit der Phasenfeldmethode
Schoof, E.; Streichhan, N.; Schneider, D.; Selzer, M.; Nestler, B.
2017. Forschung aktuell, 13–16
On stress and driving force calculation within multiphase-field models : Applications to martensitic phase transformation in multigrain systems
Schneider, D.; Schoof, E.; Schwab, F.; Herrmann, C.; Selzer, M.; Nestler, B.
2017. 4th GAMM Workshop on Phase Field Modeling, RWTH Aachen University, Germany, 2nd - 3rd February 2017
Data science approaches for microstructure quantification and feature identification in porous membranes
Altschuh, P.; Yabansu, Y. C.; Hötzer, J.; Selzer, M.; Nestler, B.; Kalidindi, S. R.
2017. Journal of membrane science, 540, 88–97. doi:10.1016/j.memsci.2017.06.020
On the stress calculation within phase-field approaches : a model for finite deformations
Schneider, D.; Schwab, F.; Schoof, E.; Reiter, A.; Herrmann, C.; Selzer, M.; Böhlke, T.; Nestler, B.
2017. Computational mechanics, 60 (2), 203–217. doi:10.1007/s00466-017-1401-8
2016
On stress and driving force calculation within phase-field models : Applications to martensitic phase transformation and crack propagation in multiphase systems
Schneider, D.; Schoof, E.; Tschukin, T.; Schwab, F.; Selzer, M.; Nestler, B.
2016. Interdisziplinäres Seminar Mathematik und Mechanik, Kaiserslautern, Deutschland, 2016
Phase-field modeling of crack propagation in multiphase systems
Schneider, D.; Schoof, E.; Schwab, F.; Selzer, M.; Nestler, B.
2016. EMMC15 : 15th European Mechanics of Materials Conference, Brussel, Belgium, 7th - 9th September 2016
Phase-field modeling of crack propagation in multiphase systems
Schneider, D.; Schoof, E.; Schwab, F.; Selzer, M.; Nestler, B.
2016. ECCOMAS 2016 : European Congress on Computational Methods in Applied Sciences and Engineering, Crete Island, Greece, 5th - 10th June 2016
Easto-plastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations
Schneider, D.; Schoof, E.; Reiter, A.; Selzer, M.; Nestler. B.
2016. The 22nd International Symposium on Plasticity and Its Current Applications, Sheraton Kona Resort & Spa Keauhou Bay, Hawaii, 3rd - 9th January 2016
Phase-field modeling of crack propagation in multiphase Systems
Schneider, D.; Schoof, E.; Huang, Y.; Selzer, M.; Nestler, B.
2016. Computer methods in applied mechanics and engineering, 312, 186–195. doi:10.1016/j.cma.2016.04.009
Modeling of crack propagation on a mesoscopic length scale
Nestler, B.; Schneider, D. M.; Schoof, E.; Huang, Y.; Selzer, M.
2016. GAMM-Mitteilungen, 39 (1), 78–91. doi:10.1002/gamm.201610005
2015
Elastoplastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations
Schneider, D.; Tschukin, O.; Schoof, E.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. PTM 2015 : International Conference on Solid-Solid Phase Transformations in Inorganic Materials, Westin Whistler Resort & Spa, Canada, 28th June - 3rd July 2015
Elastoplastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations
Schneider, D.; Tschukin, O.; Schoof, E.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. ICM12 : 12th International Conference on the Mechanical Behavior of Materials, Karlsruhe, Germany, 10th - 14th May 2015
2014
Modelling of transient heat conduction with diffuse interface methods
Ettrich, J.; Choudhury, A.; Tschukin, O.; Schoof, E.; August, A.; Nestler, B.
2014. Modelling and simulation in materials science and engineering, 22 (8), Art.Nr. 085006/1–29. doi:10.1088/0965-0393/22/8/085006
2012
Computational analysis of bio inspired thermal absorber systems made of textile fabrics
Schoof, E.; Römmelt, M.; Selzer, M.; August, A.; Nestler, B.; Kneer, A.; Stegmaier, T.
2012. International School and Conference on Biological Materials Science, Potsdam, March 20-23, 2012