IAM - Computational Materials Science
Daniel Schneider

Dr.-Ing. Daniel Schneider

  • Institut für Angewandte Materialien
    Computational Materials Science (IAM-CMS)
    MZE - Geb. 30.48
    Straße am Forum 7
    76131 Karlsruhe
     

Forschung

Beschreibung

Die Forschungsgruppe „Multiphysics Materials Modelling: Microstructure-Mechanics“ untersucht die Wechselwirkungen zwischen mikrostrukturellen und mechanischen Einflussgrößen auf der mesoskopische Längenskala von Materialien. Einen entscheidenden Einfluss auf die physikalischen Eigenschaften von Materialien haben sowohl die Evolution der Körner und Domänen, als auch die daraus resultierende heterogene Mikrostruktur. Daher ist das Verständnis dieser Mechanismen und möglicher Defekte unentbehrlich zur virtuellen Entwicklung von Materialien (Virtual-Material-Design). Unter der Einbindung vornehmlich mechanischer, aber auch chemischer, thermischer und elektromagnetischer treibender Kräfte werden die physikalischen Prozesse an den Grenzflächen untersucht. Dies geschieht mittels der Phasenfeldmethode, welche mit numerischen Algorithmen gekoppelt ist. So können die Prozessparameter optimiert und somit die Produktionskosten gesenkt, effektive Materialeigenschaften optimiert oder neue Materialien entwickelt werden. Aktuelle Forschungsfragen beziehen sich auf den Rekristallisationsprozess, Fest-Fest-Phasenumwandlungsprozesse sowie auf die elektro-chemische Prozesse und die Rissausbreitung. Als Materialien werden Metalle, Faseverbundwerkstoffe, Lithium-Ionen-Batterien bzw. Piezzo-Kristalle betrachtet.

 

Phase-field models and numerical methods to describe phase transformation processes including mechanical driving forces

Model extensions:

  • Phase-field elasticity description based on mechanical jump conditions for diffuse transition regions
  • Elasto-plastic multiphase-field approach

Simulations:

  • Crack propagation in brittle and ductile materials
  • Influence of microstructure on mechanical properties
  • Recrystallization processes
  • Displacive phase transformation processes

 

 

 

     

    

 

 

Publikationen


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
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-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
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
Role of conductivity on the electromigration-induced morphological evolution of inclusions in {110}-oriented single crystal metallic thin films.
Santoki, J.; Mukherjee, A.; Schneider, D.; Nestler, B.
2019. Journal of applied physics, 126 (16), Article No.165305. doi:10.1063/1.5119714
Understanding the influence of neighbours on the spheroidization of finite 3-dimensional rods in a lamellar arrangement: Insights from phase-field simulations.
Mittnacht, T.; Amos, P. G. K.; Schneider, D.; Nestler, B.
2019. Proceedings of the 1st International Conference on Numerical Modelling in Engineering : NME 2018, 28-29 August 2018, Ghent, Belgium. Ed.: M. Abdel Wahab, 290–299, Springer, Singapore. doi:10.1007/978-981-13-2273-0_23
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, Cham, CH. doi:10.1007/978-3-030-13325-2_30
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
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
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
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
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
An elasto-chemical phase-field model for isotropic solids.
Tschukin, O.; Schneider, D.; Nestler, B.
2018. European journal of mechanics / A, 73, 181–191. doi:10.1016/j.euromechsol.2018.06.014
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
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
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
Elasto-plastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations.
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. International Conference on Solid-Solid Phase Transformations in Inorganic Materials (PTM), Whistler, Canada, 28th June - 3rd July 2015
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
Evolution von Mikroporen in Kristallen mit hexagonaler Gitteranisotropie.
Schneider, D.; Langerome, B.; Selzer, M.; Reiter, A.; Nestler, B.
2016. Forschung aktuell, 36–38
Elasto-plastic phase-field model based on mechanical jump conditions.
Schneider, D.; Tschukin, O.; Selzer, M.; Nestler, B.
2015. 2. GAMM Seminar on Phase-Field-Modelling, Siegen University, Germany, 5th - 6th February 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
Phasenfeldmodellierung der Spannungsentwicklung in heterogenen Gefügen.
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2014. Sitzung Fachausschuss Computersimulation, Bochum, Deutschland, 2014
Phase-field modeling of stress evolution in heterogen structures.
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2014. 11th World Congress on Computational Mechanics, Barcelona, Spain, 20–25 July 2014
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
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
Phase-Field Modeling of Solid-Solid Phase Transformations.
Schneider, D.; Kumar, A.; Tschukin, O.; Selzer, M.; Nestler, B.
2015. ESMC9 : 9th European Solid Mechanics Conference, Madrid, Spain, 6th - 10th July 2015
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
Elasto-plastisches Materialverhalten – ein Mikrostrukturmodell für plastische Verformung.
Höhn, J.; Schneider, D.; Schmid, S.; Nestler, B.
2012. Forschung aktuell, 2012, 56–57
Elasto-plastic phase-field model accounting for mechanical jump conditions during solid-state phase transformations.
Schneider, D.; Tschukin, O.; Choudhury, A.; Selzer, M.; Nestler, B.
2015. Proceedings of the International Conference on Solid-Solid Phase Transformations in Inorganic Materials 2015 (PTM), Whistler, Canada, 28th June - 3rd July 2015. Ed.: M. Militzer, 899–900, PTM, Whistler (British Columbia)
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
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
A multiscale approach for thermomechanical simulations of loading courses in cast iron brake discs.
Schmid, S.; Schneider, D. M.; Herrmann, C.; Selzer, M.; Nestler, B.
2016. International Journal for Multiscale Computational Engineering, 14 (1), 25–43. doi:10.1615/IntJMultCompEng.2015014764
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
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
Veröffentlichungen
Titel Autor Quelle

Advanced Engineering Materials, (2013) 142-146

Computational Mechanics, (2014) 27-35

Computational Mechanics, (2015)

Computational Mechanics, (2015) 1-14

Forschung Aktuell, (2012)

Nature Photonics, (2009) 279-282

Physica Status Solidi (b), (2010) 1424-1447
 

Physica Status Solidi (b), (2010) 1448-1452