Microstructure – Mechanics

BildIAM-CMS

Research

The research group "Microstructure – Mechanics" investigates the interactions between microstructural and mechanical parameters on the mesoscopic length scale of materials. Both the evolution of grains and domains and the resulting heterogeneous microstructure have a decisive influence on the physical properties of materials. Therefore, the understanding of these mechanisms and possible defects is essential for the virtual development of materials (Virtual Materials Design). The physical processes at the interfaces are investigated by integrating mainly mechanical, but also chemical, thermal and electromagnetic driving forces. This is done using the phase-field method, coupled with numerical algorithms. Thus, process parameters can be optimized, production costs can be reduced, effective material properties can be optimized or new materials can be developed. Current research questions relate to the recrystallization process, solid-solid phase transformation processes as well as electrochemical processes and crack propagation. The materials considered are metals, fiber composite materials, lithium-ion batteries and piezo crystals.

Team
Name Function
Research assistant
Research Assistant
Research Fellow
group leader
Gruppenleiter
Research assistant
Akademischer Mitarbeiter
Wissenschaftlicher Mitarbeiter
3 additional persons visible within KIT only.
Associated team members
Name Function

Publications


2025
Chemo-mechanical benchmark for phase-field approaches
Kannenberg, T.; Prahs, A.; Svendsen, B.; Nestler, B.; Schneider, D.
2025. Modelling and Simulation in Materials Science and Engineering, 33 (1), 015004. doi:10.1088/1361-651X/ad90f7
Multiphase-field modeling of domain structure evolution in ferroelectric thin film
Fan, L.; Reder, M.; Schneider, D.; Hinterstein, M.; Nestler, B.
2025. Journal of the European Ceramic Society, 45 (1), Art.-Nr.: 116875. doi:10.1016/j.jeurceramsoc.2024.116875
2024
Modeling of martensitic phase transformation accounting for inertia effects
Liu, X.; Schneider, D.; Reder, M.; Hoffrogge, P. W.; Nestler, B.
2024. International Journal of Mechanical Sciences, 278, Art.-Nr.: 109443. doi:10.1016/j.ijmecsci.2024.109443
Multiphase transformation and mechanical analysis of polycrystalline Cu Li Sn nanoparticle during lithiation via phase diagram-guided phase-field approach
Huang, Q.; Daubner, S.; Schneider, D.; Zheng, X.; Liu, S.; Du, Y.; Nestler, B.
2024. Electrochimica Acta, 495, Art.-Nr.: 144471. doi:10.1016/j.electacta.2024.144471
Surface energies control the anisotropic growth of β -Ni(OH) nanoparticles in stirred reactors
Streichhan, N.; Goonetilleke, D.; Li, H.; Soleymanibrojeni, M.; Hoffrogge, P. W.; Schneider, D.; Nestler, B.; Wenzel, W.
2024. Surfaces and Interfaces, 51, 104736. doi:10.1016/j.surfin.2024.104736
Triple junction benchmark for multiphase-field models combining capillary and bulk driving forces
Hoffrogge, P. W.; Daubner, S.; Schneider, D.; Nestler, B.; Zhou, B.; Eiken, J.
2024. Modelling and Simulation in Materials Science and Engineering
Crystallization and crystal morphology of polymers: A multiphase-field study
Afrasiabian, N.; Elmoghazy, A.; Blarr, J.; Scheuring, B.; Prahs, A.; Schneider, D.; Liebig, W. V.; Weidenmann, K. A.; Denniston, C.; Nestler, B.
2024. Journal of Thermoplastic Composite Materials. doi:10.1177/08927057241296472
Combined study of phase transitions in the P2-type NaNiMnO cathode material: experimental, ab-initio and multiphase-field results
Daubner, S.; Dillenz, M.; Pfeiffer, L. F.; Gauckler, C.; Rosin, M.; Burgard, N.; Martin, J.; Axmann, P.; Sotoudeh, M.; Groß, A.; Schneider, D.; Nestler, B.
2024. npj Computational Materials, 10 (1), Art.-Nr.: 75. doi:10.1038/s41524-024-01258-x
Microstructure evolution accounting for crystal plasticity in the context of the multiphase-field method
Kannenberg, T.; Schöller, L.; Prahs, A.; Schneider, D.; Nestler, B.
2024. Computational Mechanics, 74, 67–84. doi:10.1007/s00466-023-02423-7
A multiphase-field approach to small strain crystal plasticity accounting for balance equations on singular surfaces
Prahs, A.; Schöller, L.; Schwab, F. K.; Schneider, D.; Böhlke, T.; Nestler, B.
2024. Computational Mechanics, 73, 773–794. doi:10.1007/s00466-023-02389-6
2023
Realization of adaptive mesh refinement for phase-field model of thermal fracture within the FEniCS framework
Hirshikesh; Schneider, D.; Nestler, B.
2023. Engineering Fracture Mechanics, 293, Art.-Nr.: 109676. doi:10.1016/j.engfracmech.2023.109676
Investigation of microstructure evolution accounting for crystal plasticity in the multiphase‐field method
Kannenberg, T.; Schöller, L.; Prahs, A.; Schneider, D.; Nestler, B.
2023. PAMM, 23 (3), Art.-Nr.: e202300138. doi:10.1002/pamm.202300138
Thermomechanically coupled theory in the context of the multiphase-field method
Prahs, A.; Reder, M.; Schneider, D.; Nestler, B.
2023. International Journal of Mechanical Sciences, 257, Art.-Nr.: 108484. doi:10.1016/j.ijmecsci.2023.108484
Phase-Field Simulation of Abnormal/Normal Recrystallization Kinetics in Ultrafine-Grained Aluminum Processed by High-Pressure Torsion Extrusion
Abramova, O.; Nugmanov, D.; Schneider, D.; Prahs, A.; Mittnacht, T.; Ivanisenko, J.; Baretzky, B.; Nestler, B.
2023. Elsevier. doi:10.2139/ssrn.4617296
A phase-field model for ferroelectric materials—Based on the multiphase-field method
Fan, L.; Reder, M.; Schneider, D.; Hinterstein, M.; Nestler, B.
2023. Computational Materials Science, 230, 112510. doi:10.1016/j.commatsci.2023.112510
Phase‐Field Simulations of Epitaxial Crystal Growth in Open Fractures With Reactive Lateral Flow
Späth, M.; Selzer, M.; Busch, B.; Schneider, D.; Hilgers, C.; Urai, J. L.; Nestler, B.
2023. Water Resources Research, 59 (8), Nr.: e2023WR034605. doi:10.1029/2023WR034605
Performance estimation by multiphase-field simulations and transmission-line modeling of nickel coarsening in FIB-SEM reconstructed Ni-YSZ SOFC anodes I: Influence of wetting angle
Hoffrogge, P. W.; Schneider, D.; Wankmüller, F.; Meffert, M.; Gerthsen, D.; Weber, A.; Nestler, B.; Wieler, M.
2023. Journal of Power Sources, 570, Art.-Nr.: 233031. doi:10.1016/j.jpowsour.2023.233031
Modeling Anisotropic Transport in Polycrystalline Battery Materials
Daubner, S.; Weichel, M.; Hoffrogge, P. W.; Schneider, D.; Nestler, B.
2023. Batteries, 9 (6), Art.Nr.: 310. doi:10.3390/batteries9060310
Qualitative Dissolution Modeling of Etch‐Pit Formation on the K‐Feldspar Surface Through Phase‐Field Approach
Kumar, A.; Prajapati, N.; Späth, M.; Busch, B.; Schneider, D.; Hilgers, C.; Nestler, B.
2023. Journal of Geophysical Research: Solid Earth, 128 (4), e2022JB025749. doi:10.1029/2022JB025749
Phase-field modeling of crack propagation based on multi-crack order parameters considering mechanical jump conditions
Schöller, L.; Schneider, D.; Prahs, A.; Nestler, B.
2023. Proceedings in applied mathematics and mechanics, 22 (1, SI), Art.-Nr.: e202200039. doi:10.1002/pamm.202200039
Phase-field simulation for voltage profile of Li Sn nanoparticle during lithiation/delithiation
Huang, Q.; Daubner, S.; Zhang, S.; Schneider, D.; Nestler, B.; Mao, H.; Liu, S.; Du, Y.
2023. Computational Materials Science, 220, Art.-Nr.: 112047. doi:10.1016/j.commatsci.2023.112047
Phase-field modelling of mechanical wave propagation in polycrystalline materials: Validation study
Liu, X.; Schneider, D.; Nestler, B.
2023. International Journal of Solids and Structures, 262-263, Art.-Nr.: 112053. doi:10.1016/j.ijsolstr.2022.112053
Controlling Risk for Highly Automated Transportation Systems Operating in Complex Open Environments
Benedikt, M.; Böde, E.; Bossert, A.; Braband, J.; Brade, T.; Braun, N.; Braun, T.; Burton, S.; Dallmann, T.; Damm, W.; Düser, T.; Elster, L.; Fingscheidt, T.; Fistler, M.; Franek, M.; Fränzle, M.; Freyer, J.; Galbas, R.; Gansch, R.; Geyer, D.; Haas, L.; Haider, A.; Heidl, P.; Hein, M.; Heyl, A.; Hiller, J.; Hungar, H.; Hutter, D.; Jung, R.; Klein, C.; Krüger, J.; Kuhn, T.; Langner, J.; Maurer, M.; Mayr, K.; Meyer-Vitali, A.; Möhlmann, E.; Molin, A.; Möller, B.; Niehaus, J.; Nolte, B.; Nolte, M.; Otten, S.; Peleska, J.; Peters, S.; Poguntke, T.; Poprawa, F.; Reich, J.; Rosenberger, P.; Salem, N. F.; Schick, B.; Schneider, D.; Schneider, S.-A.; Schyr, C.; Thomas, C.; Trapp, M.; Wagner, F.; Wagener, N.; Woopen, T.; Zeh, T.
2023
The effect of compression shock heating in collision welding
Ganzenmüller, G. C.; Hütter, S.; Reder, M.; Prahs, A.; Schneider, D.; Nestler, B.; Halle, T.; Hiermaier, S.
2023. arxiv
Phase-field simulation for voltage profile of LixSn nanoparticle during lithiation/delithiation
Huang, Q.; Daubner, S.; Zhang, S.; Schneider, D.; Nestler, B.; Mao, H.; Liu, S.; Du, Y.
2023. Computational Materials Science, 220, 112047
Multiphase-field modelling of anisotropic elasticity at finite deformation in Eulerian space
Daubner, S.; Reder, M.; Prajapati, N.; Schneider, D.; Nestler, B.
2023. Journal of Computational Science, 66, Art.-Nr.: 101930. doi:10.1016/j.jocs.2022.101930
2022
Modeling of temperature- and strain-driven intermetallic compound evolution in an Al–Mg system via a multiphase-field approach with application to refill friction stir spot welding
Raza, S. H.; Mittnacht, T.; Diyoke, G.; Schneider, D.; Nestler, B.; Klusemann, B.
2022. Journal of the Mechanics and Physics of Solids, 169, Art.-Nr.: 105059. doi:10.1016/j.jmps.2022.105059
A phase‐field based model for coupling two‐phase flow with the motion of immersed rigid bodies
Reder, M.; Hoffrogge, P. W.; Schneider, D.; Nestler, B.
2022. International Journal for Numerical Methods in Engineering, 123 (16), 3757–3780. doi:10.1002/nme.6988
Qualitative modeling of etch-pit formation (dissolution) on the K-feldspar surface through phase-field approach
Kumar, A.; Prajapati, N.; Späth, M.; Schneider, D.; Busch, B.; Hilgers, C.; Nestler, B.
2022, July. 15th / 8. World Congress on Computational Mechanics & Asian Pacific Conference on Computational Mechanics (WCCM-APCOM 2022), Online, July 31–August 5, 2022
Multigrain phase-field simulation in ferroelectrics with phase coexistences: An improved phase-field model
Fan, L.; Werner, W.; Subotić, S.; Schneider, D.; Hinterstein, M.; Nestler, B.
2022. Computational Materials Science, 203, Art.-Nr.: 111056. doi:10.1016/j.commatsci.2021.111056
Plug-and-Produce... Safely! End-to-End Model-Based Safety Assurance for Reconfigurable Industry 4.0
Hillen, D.; Huck, T. P.; Laxman, N.; Ledermann, C.; Reich, J.; Schlosser, P.; Schmidt, A.; Schneider, D.; Uecker, D.
2022. Model-Based Safety and Assessment – 8th International Symposium, IMBSA 2022, Munich, Germany, September 5–7, 2022, Proceedings. Ed.: C. Seguin, 83–97, Springer International Publishing. doi:10.1007/978-3-031-15842-1_7
2021
Simulating mechanical wave propagation within the framework of phase-field modelling
Liu, X.; Schneider, D.; Daubner, S.; Nestler, B.
2021. Computer methods in applied mechanics and engineering, 381, Article: 113842. doi:10.1016/j.cma.2021.113842
Phase-field formulation of a fictitious domain method for particulate flows interacting with complex and evolving geometries
Reder, M.; Schneider, D.; Wang, F.; Daubner, S.; Nestler, B.
2021. International Journal for Numerical Methods in Fluids, 93 (8), 2486–2507. doi:10.1002/fld.4984
Morphological stability of three-dimensional cementite rods in polycrystalline system : A phase-field analysis
Mittnacht, T.; Kubendran Amos, P. G.; Schneider, D.; Nestler, B.
2021. Journal of materials science & technology, 77, 252–268. doi:10.1016/j.jmst.2020.11.019
Methods for Simulation-Based Homologation of a Lane-Keeping-Assist
Klotz, E.; Riedmaier, S.; Hettel, R.; Düser, T.; Schneider, D.; Schick, B.; Djukic, D.
2021. 9th International Symposium on Development Methodology. Hrsg.: C. Beidl
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
Effect of tortuosity, porosity, and particle size on phase-separation dynamics of ellipsoid-like particles of porous electrodes: Cahn-Hilliard-type phase-field simulations
Santoki, J.; Daubner, S.; Schneider, D.; Kamlah, M.; Nestler, B.
2021. Modelling and simulation in materials science and engineering, 29 (6), Art.Nr. 065010. doi:10.1088/1361-651X/ac11bc
Multiphase-field model for surface diffusion and attachment kinetics in the grand-potential framework
Hoffrogge, P. W.; Mukherjee, A.; Nani, E. S.; Amos, P. G. K.; Wang, F.; Schneider, D.; Nestler, B.
2021. Physical review / E, 103 (3), Article no: 033307. doi:10.1103/PhysRevE.103.033307
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
Effect of conductivity on the electromigration-induced morphological evolution of islands with high symmetries of surface diffusional anisotropy
Santoki, J.; Mukherjee, A.; Schneider, D.; Nestler, B.
2021. Journal of applied physics, 129 (2), Ar. Nr.: 025110. doi:10.1063/5.0033228
2020
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
Phase-inherent linear visco-elasticity model for infinitesimal deformations in the multiphase-field context
Schwab, F. K.; Reiter, A.; Herrmann, C.; Schneider, D.; Nestler, B.
2020. Advanced modeling and simulation in engineering sciences, 7 (1), Art.-Nr.: 47. doi:10.1186/s40323-020-00178-x
Multiphase-field modelling of crack propagation in geological materials and porous media with Drucker-Prager plasticity
Späth, M.; Herrmann, C.; Prajapati, N.; Schneider, D.; Schwab, F.; Selzer, M.; Nestler, B.
2020. Computational geosciences, 25 (1), 325–343. doi:10.1007/s10596-020-10007-0
Brittle anisotropic fracture propagation in quartz sandstone: insights from phase-field simulations
Prajapati, N.; Herrmann, C.; Späth, M.; Schneider, D.; Selzer, M.; Nestler, B.
2020. Computational geosciences, 24, 1361–1376. doi:10.1007/s10596-020-09956-3
2019
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
Phase-Field Study of Electromigration-Induced Shape Evolution of a Transgranular Finger-Like Slit
Santoki, J.; Mukherjee, A.; Schneider, D.; Selzer, M.; Nestler, B.
2019. Journal of electronic materials, 48 (1), 182–193. doi:10.1007/s11664-018-6619-5
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
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
Phase-field study of surface irregularities of a cathode particle during intercalation
Santoki, J.; Schneider, D.; Selzer, M.; Wang, F.; Kamlah, M.; Nestler, B.
2018. Modelling and simulation in materials science and engineering, 26 (6), 065013. doi:10.1088/1361-651X/aad20a
2017
SecurePLUGandWORK – Abschlussbericht
Schleipen, M.; Henßen, R.; Bischoff, T.; Pfrommer, J.; Sauer, O.; Schneider, D.; Jungbluth, F.; Flatt, H.; Barton, D.; Fleischer, J.; Bollhöfer, E.; Moll, C.; Lindauer, J.; Davis, R.; Baron, H.; Danner, T.; Hillerich, T.; Schmuck, C.; Blume, M.; Finster, S.; Fechner, A.; Tschepat, R.; Kazakov, D.; Kühbauch, R.; Klöblen, W.; Sproll, D.; Fellhauer, B.; Osswald, D.
2017. doi:10.5445/IR/1000133278
Concepts of modeling surface energy anisotropy in phase-field approaches
Tschukin, O.; Silberzahn, A.; Selzer, M.; Amos, P. G. K.; Schneider, D.; Nestler, B.
2017. Geothermal Energy, 5 (1), Art.Nr. 19. doi:10.1186/s40517-017-0077-9
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
2016
Evolution von Mikroporen in Kristallen mit hexagonaler Gitteranisotropie
Schneider, D.; Langerome, B.; Selzer, M.; Reiter, A.; Nestler, B.
2016. Forschung aktuell, 36–38
Phasenfeldmodellierung mechanisch getriebener Grenzflächenbewegungen in mehrphasigen Systemen. PhD dissertation
Schneider, D.
2016. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000066948
Calibration of a multi-phase field model with quantitative angle measurement
Hötzer, J.; Tschukin, O.; Ben Said, M.; Berghoff, M.; Jainta, M.; Barthelemy, G.; Smorchkov, N.; Schneider, D.; Selzer, M.; Nestler, B.
2016. Journal of materials science, 51 (4), 1788–1797. doi:10.1007/s10853-015-9542-7
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
2015
Small strain elasto-plastic multiphase-field model
Schneider, D.; Schmid, S.; Selzer, M.; Boehlke, T.; Nestler, B.
2015. Computational Mechanics, 55 (1), 27–35. doi:10.1007/s00466-014-1080-7
Phase-field elasticity model based on mechanical jump conditions
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Böhlke, T.; Nestler, B.
2015. Computational mechanics, 55 (5), 887–901. doi:10.1007/s00466-015-1141-6
Materials research for energy supply at Karlsruhe Institute of Technology
Krüssmann, R.; Gräning, T.; Janda, D.; Ruck, S.; Schneider, D.; Strassberger, L.; Vladimirov, P.; Yurechko-Hussy, M.
2015. Energy, Science and Technology, Conference and Exhibition (EST 2015), Karlsruhe, Germany, May 20–22, 2015
Combined crystal plasticity and phase-field method for recrystallization in a process chain of sheet metal production
Vondrous, A.; Bienger, P.; Schreijäg, S.; Selzer, M.; Schneider, D.; Nestler, B.; Helm, D.; Mönig, R.
2015. Computational mechanics, 55 (2), 439–452. doi:10.1007/s00466-014-1115-0
2014
Phase-field modeling of diffusion coupled crack propagation processes
Schneider, D.; Selzer, M.; Bette, J.; Rementeria, I.; Vondrous, A.; Hoffmann, M. J.; Nestler, B.
2014. Advanced Engineering Materials, 16 (2), 142–146. doi:10.1002/adem.201300073
2012
Elasto-plastisches Materialverhalten – ein Mikrostrukturmodell für plastische Verformung
Höhn, J.; Schneider, D.; Schmid, S.; Nestler, B.
2012. Forschung aktuell, 2012, 56–57