Multiscale Materials Modelling and Data Management

Research Data Management plays an important and emerging role in different research disciplines. The research group develops the data infrastructure KaDi4Mat, in cooperation with several simulative and experimental groups.

Contact person: Dr.-Ing. Michael Selzer

BildIAM-CMS

Research

The research group “Multiscale Materials Modelling and Data Management“, supervised by Dr.-Ing. Michael Selzer, focuses on the influence of multiphase flows through complex geometries, on the wetting properties of single-phase and multiphase liquid drops, located on chemically and mechanically structured surfaces, and on topology optimisation. The objective of this research is the reduction of energy consumption, required during the production of the materials, and the conservation of the material properties, during the lifetime of the materials. Thus, research is relevant for the energy revolution and for climate protection. The investigations find application in the automotive industry, in aerospace technology, lightweight design and in the construction industry. By using the phase-field method, the research group finds answers to the research questions available. Working with efficient simulation programs enables the development of cost-effective and innovative materials without experiments. Therefore, the focus lies on the development of the massively parallel solver PACE3D. For the extensions of the models, numerical algorithms are adapted and optimised for high-performance computing.
In the course of digitalisation, data processing and data retention, as well as archiving of research data, are of primary importance. For this reason, the group also engages in this newly emerging field of materials research.

Team
Name Function
wissenschaftlicher Mitarbeiter
Research assistant
Fachinformatiker-Systemintegration
Research Assistant
Wissenschaftlicher Mitarbeiter
Research assistant
Gruppenleiter
research assistant
3 additional persons visible within KIT only.
Associated team members
Name Function
Wissenschaftlicher Mitarbeiter
1 additional person visible within KIT only.

2024
Experimental evaluation of phase-field-based load-specific shape optimization of nature-inspired porous structures
Wallat, L.; Koeppe, A.; Selzer, M.; Seiler, M.; Poehler, F.; Nestler, B.
2024. Materials Today Communications, 38, Art.-Nr.: 108088. doi:10.1016/j.mtcomm.2024.108088
On the reproducibility of extrusion-based bioprinting: round robin study on standardization in the field
Grijalva Garces, D.; Strauß, S.; Gretzinger, S.; Schmieg, B.; Jüngst, T.; Groll, J.; Meinel, L.; Schmidt, I.; Hartmann, H.; Schenke-Layland, K.; Brandt, N.; Selzer, M.; Zimmermann, S.; Koltay, P.; Southan, A.; Tovar, G. E. M.; Schmidt, S.; Weber, A.; Ahlfeld, T.; Gelinsky, M.; Scheibel, T.; Detsch, R.; Boccaccini, A. R.; Naolou, T.; Lee-Thedieck, C.; Willems, C.; Groth, T.; Allgeier, S.; Köhler, B.; Friedrich, T.; Briesen, H.; Buchholz, J.; Paulus, D.; von Gladiss, A.; Hubbuch, J.
2024. Biofabrication, 16 (1), Art.-Nr.: 015002. doi:10.1088/1758-5090/acfe3b
2023
Shape optimization of porous structures by phase-field modeling with strain energy density reduction
Wallat, L.; Reder, M.; Selzer, M.; Poehler, F.; Nestler, B.
2023. Materials Today Communications, 37, Art.-Nr. 107018. doi:10.1016/j.mtcomm.2023.107018
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
Identification of Lithium Compounds on Surfaces of Lithium Metal Anode with Machine-Learning-Assisted Analysis of ToF-SIMS Spectra
Zhao, Y.; Otto, S.-K.; Lombardo, T.; Henss, A.; Koeppe, A.; Selzer, M.; Janek, J.; Nestler, B.
2023. ACS Applied Materials & Interfaces, 15 (43), 50469 – 50478. doi:10.1021/acsami.3c09643
Data‐Driven Virtual Material Analysis and Synthesis for Solid Electrolyte Interphases
Rajagopal, D.; Koeppe, A.; Esmaeilpour, M.; Selzer, M.; Wenzel, W.; Stein, H.; Nestler, B.
2023. Advanced Energy Materials, 13 (40), Art.-Nr.: 2301985. doi:10.1002/aenm.202301985
Sicherstellung der Reproduzierbarkeit von Forschungsergebnissen durch Bewahrung des Zugriffs auf Forschungssoftware
von Suchdoletz, D.; Brettschneider, P.; Axtmann, A.; Heber, M.; Oberländer, L.; Leendertse, J.; Schumm, I.; Brandt, O.; Schmidt, K.; Gertis, L.; Selzer, M.; Ulrich, R.; Iglezakis, D.; Boda, V.
2023. Bausteine Forschungsdatenmanagement, (5), 13. doi:10.17192/bfdm.2023.5.8555
Phase-field modelling of electromigration-induced intergranular slit propagation in metal interconnects
Mukherjee, A.; Ankit, K.; Selzer, M.; Nestler, B.
2023. Computational Materials Science, 228, Art.-Nr.: 112330. doi:10.1016/j.commatsci.2023.112330
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
KadiStudio Use-Case Workflow: Automation of Data Processing for in Situ Micropillar Compression Tests
Al-Salman, R.; Teixeira, C. A.; Zschumme, P.; Lee, S.; Griem, L.; Aghassi-Hagmann, J.; Kirchlechner, C.; Selzer, M.
2023. Data Science Journal, 22, Art.-Nr.: 21. doi:10.5334/dsj-2023-021
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
2022
Generating FAIR research data in experimental tribology
Garabedian, N. T.; Schreiber, P. J.; Brandt, N.; Zschumme, P.; Blatter, I. L.; Dollmann, A.; Haug, C.; Kümmel, D.; Li, Y.; Meyer, F.; Morstein, C. E.; Rau, J. S.; Weber, M.; Schneider, J.; Gumbsch, P.; Selzer, M.; Greiner, C.
2022. Scientific Data, 9 (1), Art.Nr. 315. doi:10.1038/s41597-022-01429-9
Phase-field simulation for the formation of porous microstructures due to phase separation in polymer solutions on substrates with different wettabilities
Farzaneh Kalourazi, S.; Wang, F.; Zhang, H.; Selzer, M.; Nestler, B.
2022. Journal of Physics: Condensed Matter, 34 (44), Art.-Nr.: 444003. doi:10.1088/1361-648X/ac8b4d
Energy absorption capability of graded and non-graded sheet-based gyroid structures fabricated by microcast processing
Wallat, L.; Selzer, M.; Wasmuth, U.; Poehler, F.; Nestler, B.
2022. Journal of Materials Research and Technology, 21, 1798–1810. doi:10.1016/j.jmrt.2022.09.093
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
Structured Data Storage for Data-Driven Process Optimisation in Bioprinting
Schmieg, B.; Brandt, N.; Schnepp, V. J.; Radosevic, L.; Gretzinger, S.; Selzer, M.; Hubbuch, J.
2022. Applied Sciences, 12 (15), Artikel-Nr.: 7728. doi:10.3390/app12157728
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
Capillary adsorption of droplets into a funnel-like structure
Wu, Y.; Wang, F.; Huang, W.; Selzer, M.; Nestler, B.
2022. Physical Review Fluids, 7 (5), Art.-Nr.: 054004. doi:10.1103/PhysRevFluids.7.054004
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
Performance-Detective: Automatic Deduction of Cheap and Accurate Performance Models
Schmid, L.; Copik, M.; Calotoiu, A.; Werle, D.; Reiter, A.; Selzer, M.; Koziolek, A.; Hoefler, T.
2022. ACM International Conference on Supercomputing (ICS ’22), Virtual Event, June 28-30, 2022, Association for Computing Machinery (ACM). doi:10.1145/3524059.3532391
A Two-Dimensional Phase-Field Investigation on Unidirectionally Solidified Tip-Splitting Microstructures
Laxmipathy, V. P.; Wang, F.; Selzer, M.; Nestler, B.
2022. Metals, 12 (3), Art.-Nr.: 376. doi:10.3390/met12030376
Explainable Artificial Intelligence for Mechanics: Physics-Explaining Neural Networks for Constitutive Models
Koeppe, A.; Bamer, F.; Selzer, M.; Nestler, B.; Markert, B.
2022. Frontiers in Materials, 8, Art.-Nr.: 824958. doi:10.3389/fmats.2021.824958
Machine Learning Assisted Design of Experiments for Solid State Electrolyte Lithium Aluminum Titanium Phosphate
Zhao, Y.; Schiffmann, N.; Koeppe, A.; Brandt, N.; Bucharsky, E. C.; Schell, K. G.; Selzer, M.; Nestler, B.
2022. Frontiers in Materials, 9, Art.-Nr.: 821817. doi:10.3389/fmats.2022.821817
Equilibrium droplet shapes on chemically patterned surfaces: theoretical calculation, phase-field simulation, and experiments
Wu, Y.; Kuzina, M.; Wang, F.; Reischl, M.; Selzer, M.; Nestler, B.; Levkin, P. A.
2022. Journal of Colloid and Interface Science, 606, 1077–1086. doi:10.1016/j.jcis.2021.08.029
2021
Kinematics of Crystal Growth in Single‐Seal Syntaxial Veins in Limestone ‐ A Phase‐Field Study
Späth, M.; Spruženiece, L.; Urai, J. L.; Selzer, M.; Arndt, M.; Nestler, B.
2021. Journal of geophysical research / Solid earth, 126 (10), e2021JB022106. doi:10.1029/2021JB022106
Wide-blocky veins explained by dependency of crystal growth rate on fracture surface type: Insights from phase-field modeling
Spruženiece, L.; Späth, M.; Urai, J. L.; Ukar, E.; Selzer, M.; Nestler, B.
2021. Geology, 49 (6), 641–646. doi:10.1130/G48472.1
Quantitative Phase-Field Modeling of Faceted Crystal Dissolution Processes
Prajapati, N.; Späth, M.; Knecht, L.; Selzer, M.; Nestler, B.
2021. Crystal growth & design, 21 (6), 3266–3279. doi:10.1021/acs.cgd.0c01715
Formation of wide-blocky calcite veins by extreme growth competition
Spruženiece, L.; Späth, M.; Urai, J. L.; Ukar, E.; Selzer, M.; Nestler, B.; Schwedt, A.
2021. Journal of the Geological Society, 178 (2), jgs2020–104. doi:10.1144/jgs2020-104
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
Phase-field simulations of grain boundary grooving under diffusive-convective conditions
Laxmipathy, V. P.; Wang, F.; Selzer, M.; Nestler, B.
2021. Acta materialia, 204, Art.-Nr.: 116497. doi:10.1016/j.actamat.2020.116497
Workflow concepts to model nonlinear mechanics with computational intelligence
Koeppe, A.; Bamer, F.; Selzer, M.; Nestler, B.; Markert, B.
2021. PAMM, 21 (Special Issue), e202100238. doi:10.1002/pamm.202100238
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
A two-dimensional phase-field study on dendritic growth competition under convective conditions
Laxmipathy, V. P.; Wang, F.; Selzer, M.; Nestler, B.
2021. Computational materials science, 186, Art.-Nr.: 109964. doi:10.1016/j.commatsci.2020.109964
2020
Microstructural transition in monotectic alloys: A phase-field study
Laxmipathy, V. P.; Wang, F.; Selzer, M.; Nestler, B.
2020. International journal of heat and mass transfer, 159, Art.-Nr. 120096. doi:10.1016/j.ijheatmasstransfer.2020.120096
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
How do chemical patterns affect equilibrium droplet shapes?
Wu, Y.; Wang, F.; Ma, S.; Selzer, M.; Nestler, B.
2020. Soft matter, 16 (26), 6115–6127. doi:10.1039/d0sm00196a
Morphological stability of rod-shaped continuous phases
Wang, F.; Tschukin, O.; Leisner, T.; Zhang, H.; Nestler, B.; Selzer, M.; Cadilha Marques, G.; Aghassi-Hagmann, J.
2020. Acta materialia, 192, 20–29. doi:10.1016/j.actamat.2020.04.028
Quadrijunctions-stunted grain growth in duplex microstructure: A multiphase-field analysis
Perumal, R.; Kubendran Amos, P. G.; Selzer, M.; Nestler, B.
2020. Scripta materialia, 182, 16–20. doi:10.1016/j.scriptamat.2020.02.041
Multiphase-field modelling of concurrent grain growth and coarsening in complex multicomponent systems
Kubendran Amos, P. G.; Perumal, R.; Selzer, M.; Nestler, B.
2020. Journal of materials science & technology, 45, 215–229. doi:10.1016/j.jmst.2019.11.011
Quartz Cementation in Polycrystalline Sandstone: Insights From Phase‐Field Simulations
Prajapati, N.; Abad Gonzalez, A.; Selzer, M.; Nestler, B.; Busch, B.; Hilgers, C.
2020. Journal of geophysical research / Solid earth, 125 (2). doi:10.1029/2019JB019137
SuLMaSS - Sustainable Lifecycle Management for Scientific Software
Loewe, A.; Seemann, G.; Wülfers, E. M.; Huang, Y.-L.; Sánchez, J.; Bach, F.; Ulrich, R.; Selzer, M.
2020. E-Science-Tage 2019 : data to knowledge. Hrsg.: V. Heuveline, 238–240, Universitätsbibliothek Heidelberg
OpenCARP: An Open Sustainable Framework for In-Silico Cardiac Electrophysiology Research
Senchez, J.; Nothstein, M.; Neic, A.; Huang, Y.-L.; Prassl, A. J.; Klar, J.; Ulrich, R.; Bach, F.; Zschumme, P.; Selzer, M.; Plank, G.; Vigmond, E.; Seemann, G.; Loewe, A.
2020. 2020 Computing in Cardiology, 13-16 September 2020, Rimini, Italy, Institute of Electrical and Electronics Engineers (IEEE). doi:10.22489/CinC.2020.111
NFDI4Ing - the National Research Data Infrastructure for Engineering Sciences
Schmitt, R. H.; Anthofer, V.; Auer, S.; Başkaya, S.; Bischof, C.; Bronger, T.; Claus, F.; Cordes, F.; Demandt, É.; Eifert, T.; Flemisch, B.; Fuchs, M.; Fuhrmans, M.; Gerike, R.; Gerstner, E.-M.; Hanke, V.; Heine, I.; Huebser, L.; Iglezakis, D.; Jagusch, G.; Klinger, A.; Krafczyk, M.; Kraft, A.; Kuckertz, P.; Küsters, U.; Lachmayer, R.; Langenbach, C.; Mozgova, I.; Müller, M. S.; Nestler, B.; Pelz, P.; Politze, M.; Preuß, N.; Przybylski-Freund, M.-D.; Rißler-Pipka, N.; Robinius, M.; Schachtner, J.; Schlenz, H.; Schwarz, A.; Schwibs, J.; Selzer, M.; Sens, I.; Stäcker, T.; Stemmer, C.; Stille, W.; Stolten, D.; Stotzka, R.; Streit, A.; Strötgen, R.; Wang, W. M.
2020. Zenodo. doi:10.5281/zenodo.4015201
Application of Random Forests in ToF-SIMS Data
Zhao, Y.; Otto, S.-K.; Brandt, N.; Selzer, M.; Nestler, B.
2020. Procedia computer science, 176, 410–419. doi:10.1016/j.procs.2020.08.042
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
Interface tracking characteristics of color-gradient lattice Boltzmann model for immiscible fluids
Subhedar, A.; Reiter, A.; Selzer, M.; Varnik, F.; Nestler, B.
2020. Physical review / E, 101 (1), Article: 013313. doi:10.1103/PhysRevE.101.013313
A Stochastic Study of Flow Anisotropy and Channelling in Open Rough Fractures
Marchand, S.; Mersch, O.; Selzer, M.; Nitschke, F.; Schoenball, M.; Schmittbuhl, J.; Nestler, B.; Kohl, T.
2020. Rock mechanics and rock engineering, 53, 233–249. doi:10.1007/s00603-019-01907-4
2019
Influence of melt convection on the morphological evolution of seaweed structures: Insights from phase-field simulations
Pavan Laxmipathy, V.; Wang, F.; Selzer, M.; Nestler, B.; Ankit, K.
2019. Computational materials science, 170, Art.-Nr. 109196. doi:10.1016/j.commatsci.2019.109196
Muster Richtlinie Nachhaltige Forschungssoftware an den Helmholtz Zentren
Bach, F.; Bertuch, O.; Busse, C.; Castell, W. zu; Celo, S.; Denker, M.; Dinkelacker, S.; Druskat, S.; Faber, C.; Finke, A.; Fritzsch, B.; Hammitzsch, M.; Haseleu, J.; Konrad, U.; Krupa, J.; Leifels, Y.; Mohns-Pöschke, K.; Moravcikova, M.; Nöller, J.; Möhl, C.; Nolden, M.; Scheinert, M.; Schelhaas, U.; Scheliga, K. S.; Schlauch, T.; Schnicke, T.; Scholz, A.; Schwennsen, F.; External Organizations; Seifarth, J.; Selzer, M.; Shishatskiy, S.; Steglich, D.; Strohbach, S.; Terhorst, D.; Al-Turany, M.; Vierkant, P.; Wieser, T.; Witter, L.; Wortmann, D.
2019
Droplets on chemically patterned surface: A local free-energy minima analysis
Wu, Y.; Wang, F.; Selzer, M.; Nestler, B.
2019. Physical review / E, 100 (4), Art.Nr. 041102. doi:10.1103/PhysRevE.100.041102
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
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 investigation on the growth orientation angle of aluminum carbide with a needle-like structure at the surface of graphite particles
Cai, Y.; Wang, F.; Selzer, M.; Nestler, B.
2019. Modelling and simulation in materials science and engineering, 27 (6), Art.-Nr.: 065010. doi:10.1088/1361-651X/ab2351
Concurrent grain growth and coarsening of two-phase microstructures; large scale phase-field study
Perumal, R.; Selzer, M.; Nestler, B.
2019. Computational materials science, 159, 160–176. doi:10.1016/j.commatsci.2018.12.017
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
Evaporation rate analysis of capillaries with polygonal cross-section
Schweigler, K. M.; Seifritz, S.; Selzer, M.; Nestler, B.
2018. International journal of heat and mass transfer, 121, 943–951. doi:10.1016/j.ijheatmasstransfer.2017.12.090
The parallel multi-physics phase-field framework PACE3D
Hötzer, J.; Reiter, A.; Hierl, H.; Steinmetz, P.; Selzer, M.; Nestler, B.
2018. Journal of computational science, 26, 1–12. doi:10.1016/j.jocs.2018.02.011
Phase-field study of the transient phenomena induced by ’abnormally’ large grains during 2-dimensional isotropic grain growth
Perumal, R.; Kubendran Amos, P. G.; Selzer, M.; Nestler, B.
2018. Computational materials science, 147, 227–237. doi:10.1016/j.commatsci.2018.02.028
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
Phase-field modeling of reactive wetting and growth of the intermetallic Al2 Au phase in the Al-Au system
Wang, F.; Reiter, A.; Kellner, M.; Brillo, J.; Selzer, M.; Nestler, B.
2018. Acta materialia, 146, 106–118. doi:10.1016/j.actamat.2017.12.015
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
Three-Dimensional Phase-Field Investigation of Pore Space Cementation and Permeability in Quartz Sandstone
Prajapati, N.; Selzer, M.; Nestler, B.; Busch, B.; Hilgers, C.; Ankit, K.
2018. Journal of geophysical research / Solid earth, 123 (8), 6378–6396. doi:10.1029/2018JB015618
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
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
Effective Thermal Conductivity of Composite Materials Based on Open Cell Foams
August, A.; Reiter, A.; Kneer, A.; Selzer, M.; Nestler, B.
2018. Heat and Mass Transfer Research Journal, 2 (1), 33–45
Modeling fracture cementation processes in calcite limestone: a phase-field study
Prajapati, N.; Selzer, M.; Nestler, B.; Busch, B.; Hilgers, C.
2018. Geothermal Energy, 6 (1), 7. doi:10.1186/s40517-018-0093-4
Perspectives on material modelling: Porous and particle-based microstructures
Nestler, B.; August, A.; Selzer, M.; Hötzer, J.; Kellner, M.; Prajapati, N.; Rehn, V.; Seiz, M.
2018. Ceramic applications, 6 (1), 73–77
2017
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
Phase-field study on the formation of first-neighbour topological clusters during the isotropic grain growth
Perumal, R.; Kubendran Amos, P. G.; Selzer, M.; Nestler, B.
2017. Computational materials science, 140, 209–223. doi:10.1016/j.commatsci.2017.08.043
Computational modeling of calcite cementation in saline limestone aquifers : a phase-field study
Prajapati, N.; Selzer, M.; Nestler, B.
2017. Geothermal Energy, 5 (1), Art. Nr.: 15. doi:10.1186/s40517-017-0072-1
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
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
Integrated Research as Key to the Development of a Sustainable Geothermal Energy Technology
Meller, C.; Bremer, J.; Ankit, K.; Baur, S.; Bergfeldt, T.; Blum, P.; Canic, T.; Eiche, E.; Gaucher, E.; Hagenmeyer, V.; Heberling, F.; Held, S.; Herfurth, S.; Isele, J.; Kling, T.; Kuhn, D.; Mayer, D.; Müller, B.; Nestler, B.; Neumann, T.; Nitschke, F.; Nothstein, A.; Nusiaputra, Y.; Orywall, P.; Peters, M.; Sahara, D.; Schäfer, T.; Schill, E.; Schilling, F.; Schröder, E.; Selzer, M.; Stoll, M.; Wiemer, H.-J.; Wolf, S.; Zimmermann, M.; Kohl, T.
2017. Energy technology, 5 (7), 965–1006. doi:10.1002/ente.201600579
Experimental and numerical investigation of drop evaporation depending on the shape of the liquid/gas interface
Schweigler, K. M.; Ben Said, M.; Seifritz, S.; Selzer, M.; Nestler, B.
2017. International journal of heat and mass transfer, 105, 655–663. doi:10.1016/j.ijheatmasstransfer.2016.10.033
Surface rippling during solidification of binary polycrystalline alloy : Insights from 3-D phase-field simulations
Ankit, K.; Xing, H.; Selzer, M.; Nestler, B.; Glicksman, M. E.
2017. Journal of Crystal Growth, 457, 52–59. doi:10.1016/j.jcrysgro.2016.05.033
2016
Optimierung des Gewichts und des Energieverlusts von um- und durchströmten Bauteilen
Selzer, M.; Nestler, B.; Sarstedt, P.; Kachel, G.
2016. Horizonte, 48, 23–25
Evolution von Mikroporen in Kristallen mit hexagonaler Gitteranisotropie
Schneider, D.; Langerome, B.; Selzer, M.; Reiter, A.; Nestler, B.
2016. Forschung aktuell, 36–38
Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic monte carlo, molecular dynamics, and phase-field simulations
Molnar, D.; Mukherjee, R.; Choudhury, A.; Mora, A.; Binkele, P.; Selzer, M.; Nestler, B.; Schmauder, S.
2016. Multiscale Materials Modeling : Approaches to Full Multiscaling. Ed.: S. Schmauder, 15–36, De Gruyter. doi:10.1515/9783110412451-004
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
Electric-field-induced lamellar to hexagonally perforated lamellar transition in diblock copolymer thin films: Kinetic pathways
Mukherjee, A.; Ankit, K.; Reiter, A.; Selzer, M.; Nestler, B.
2016. Physical chemistry, chemical physics, 18 (36), 25609–25620. doi:10.1039/c6cp04903f
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
2015
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
Underdamped capillary wave caused by solutal Marangoni convection in immiscible liquids
Wang, F.; Ben Said, M.; Selzer, M.; Nestler, B.
2015. Journal of materials science, 51 (4), 1820–1828. doi:10.1007/s10853-015-9600-1
Phase‐field Modeling of Fracture Cementation Processes in 3‐D
Ankit, K.; Selzer, M.; Hilgers, C.; Nestler, B.
2015. Journal of Petroleum Science Research, 4 (2), 79–96. doi:10.12783/jpsr.2015.0402.04
Dynamische Lastverteilung auf einem HPC Framework mit nachrichtenbasierter Kommunikation
Heisler, C.; Hötzer, J.; Maier, M.; Reiter, A.; Selzer, M.; Nestler, B.
2015. Forschung aktuell, 2015, 16–18
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
Prediction of heat conduction in open-cell foams via the diffuse interface representation of the phase-field method
August, A.; Ettrich, J.; Rölle, M.; Schmid, S.; Berghoff, M.; Selzer, M.; Nestler, B.
2015. International Journal of Heat and Mass Transfer, 84, 800–808. doi:10.1016/j.ijheatmasstransfer.2015.01.052
Phase-field simulations of large-scale microstructures by integrated parallel algorithms
Hötzer, J.; Jainta, M.; Vondrous, A.; Ettrich, J.; August, A.; Stubenvoll, D.; Reichardt, M.; Selzer, M.; Nestler, B.
2015. High Performance Computing in Science and Engineering ’14 : Transactions of the High Performance Computing Center, Stuttgart (HLRS), 2014. Hrsg.: W. E. Nagel, 629–644, Springer. doi:10.1007/978-3-319-10810-0_41
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
Virtuelle Material- und Prozessentwicklung am Beispiel der Konstrukturausbildung in Schweißnähten
Nestler, B.; Tschukin, O.; Jainta, M.; Daubermann, M.; Selzer, M.; Widak, V.; Hoffmann, J.; Rieth, M.
2014. Forschungsreport für den Maschinenbau in Baden-Württemberg, 2014, 56–58
Mechanische und Strömungsmechanische Topologieoptimierung mit der Phasenfeldmethode. PhD dissertation
Selzer, M.
2014. Dissertation, Karlsruher Institut für Technologie 2014
Three-dimensional phase-field study of crack-seal microstructures - insights from innovative post-processing techniques
Ankit, K.; Selzer, M.; Nestler, B.
2014. Geoscientific model development discussions, 7, 631–658. doi:10.5194/gmdd-7-631-2014
Mechanische und Strömungsmechanische Topologieoptimierung mit der Phasenfeldmethode. PhD dissertation
Selzer, M.
2014. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000049243
Numerical study on solutal Marangoni instability in finite systems with a miscibility gap
Wang, F.; Mukherjee, R.; Selzer, M.; Nestler, B.
2014. Physics of fluids, 26 (12), Art.Nr. 1.4902355. doi:10.1063/1.4902355
A Phase-Field Approach for Wetting Phenomena of Multiphase Droplets on Solid Surfaces
Ben Said, M.; Selzer, M.; Nestler, B.; Braun, D.; Greiner, C.; Garcke, H.
2014. Langmuir, 30 (14), 4033–4039. doi:10.1021/la500312q
Parallel computing for phase-field models
Vondrous, A.; Selzer, M.; Hötzer, J.; Nestler, B.
2014. The international journal of high performance computing applications, 28 (1), 61–72. doi:10.1177/1094342013490972
2013
Energieeffiziente Um- und Durchströmungsprozesse durch automatisierte Formgebung
Bühler, K.; Kachel, G.; Nestler, B.; Selzer, M.; Peichel, D.
2013. Forschungsreport für den Maschinenbau in Baden-Württemberg, 2013, 61–64
Phase-field study of grain boundary tracking behavior in crack-seal microstructures
Ankit, K.; Nestler, B.; Selzer, M.; Reichardt, M.
2013. Contributions to Mineralogy and Petrology, 166 (6), 1709–1723. doi:10.1007/s00410-013-0950-x
Flow anisotropy in sheared fractures with self-affine surfaces
Schoenball, M.; Selzer, M.; Kühnle, N.; Nestler, B.; Schmittbuhl, J.; Kohl, T.
2013. Proceedings of the European Geothermal Congress 2013, Pisa, I, June 3-7, 2013, European Geothermal Congress
Phase-field simulations at the atomic scale in comparison to molecular dynamics
Berghoff, M.; Selzer, M.; Nestler, B.
2013. The ScientificWorld journal, 2013, 564272. doi:10.1155/2013/564272
Efficient techniques for bridging from atomic to mesoscopic scale in phase-field simulations
Berghoff, M.; Selzer, M.; Choudhury, A.; Nestler, B.
2013. Journal of Computational Methods in Sciences and Engineering, 13 (5-6), 441–454. doi:10.3233/JCM-130476
2012
Multiscale simulations on the coarsening of Cu-rich precipitates in α-Fe using kinetic Monte Carlo, molecular dynamics and phase-field simulations
Molnar, D.; Mukherjee, R.; Choudhury, A.; Mora, A.; Binkele, P.; Selzer, M.; Nestler, B.; Schmauder, S.
2012. Acta materialia, 60, 6961–6971. doi:10.1016/j.actamat.2012.08.051
Effect of solutal Marangoni convection on motion, coarsening, and coalescence of droplets in a monotectic system
Wang, F.; Choudhury, A.; Selzer, M.; Mukherjee, R.; Nestler, B.
2012. Physical review / E, 86 (6), 066318/1–13. doi:10.1103/PhysRevE.86.066318
2011
Generierung offenporiger metallischer Schaumstrukturen zur Simulation der Wärmeübertragungseigenschaften
Rölle, M.; August, A.; Selzer, M.; Nestler, B.
2011. Forschung aktuell, 2011, 21–23
Offenporige metallische Schäume
August, A.; Nestler, B.; Kneer, A.; Wendler, F.; Rölle, M.; Selzer, M.
2011. Werkstoffe in der Fertigung, 2011 (6), 45–46
2010
Efficiency Study of Metal Foams for Heat Storage and Heat Exchange
August, A.; Nestler, B.; Wendler, F.; Selzer, M.; Kneer, A.; Martens, E.
2010. CELLMAT 2010 : Proceedings of the International Conference on Cellular Materials, Dresden, Germany, October 27 - 29, 2010. Ed.: G. Stephan, 148–151, Fraunhofer Institute for Manufacturing Technology and Advanced Materials
Efficiency study of metal foams for heat storage and heat exchange
August, A.; Nestler, B.; Wendler, F.; Selzer, M.; Kneer, A.; Martens, E.
2010. Gumbsch, P. [Hrsg.] Proc.of the 5th Internat.Conf.on Multiscale Materials Modeling (MMM 2010), Freiburg, October 4-8, 2010 Stuttgart : Fraunhofer Verl., 2010, 355–358
Subkorngenerierung in plastisch deformierten MikroStrukturen im kombinierten Simulationsprozess Walzen und Glühen zur statischen Rekristallisation mit der Phasenfeldmethode
Vondrous, A.; Selzer, M.; Nestler, B.
2010. Graduiertenkolleg 1483 - Prozessketten in der Fertigung: Wechselwirkung, Modellbildung und Bewertung von Prozesszonen : Begleitband zur 1. jährlichen Klausurtagung 2010. Hrsg. R. Pabst, 17–20, Shaker Verlag
Crystal growth and melting in NiZr alloy: Linking phase-field modeling to molecular dynamics simulations
Guerdane, M.; Wendler, F.; Danilov, D.; Teichler, H.; Nestler, B.; Selzer, M.; Wendler, F.
2010. Physical review / B, 81 (22), 224108. doi:10.1103/PhysRevB.81.224108
Conversion of EBSD data by a quaternion based algorithm to be used for grain structure simulations
Melcher, A.; Unser, A.; Reichhardt, M.; Nestler, B.; Pötschke, M.; Selzer, M.
2010. Technische Mechanik, 30, 401–413
Growth Morphologies in Peritectic Solidication of Fe-C: A Phase-Field Study
Choudhury, A.; Nestler, B.; Telang, A.; Selzer, M.; Wendler, F.
2010. Acta Materialia, 58 (10), 3815–3823. doi:10.1016/j.actamat.2010.03.030
Combined Lattice Boltzmann and phase-field simulations for incompressible fluid flow in porous media
Nestler, B.; Aksi, A.; Selzer, M.
2010. Mathematics and computers in simulation, 80 (7), 1458–1468. doi:10.1016/j.matcom.2009.11.003
2009
3D-Simulationsumgebung für haptische Sensor- und Aktorkomponenten im Cockpit
Wettach, M.; Frodl, T.; Selzer, M.; Nestler, B.; Schyr, C.
2009. Automobiltechnische Zeitschrift, 111 (3), 208–215
Mikrostruktursimulation in der Werkstofftechnik
Nestler, B.; Selzer, M.; Jainta, M.
2009. Werkstoffe in der Fertigung, 2009, 37–38
Simulationsmethoden in der Werkstoffkunde
Aksi, A.; Dewal, G.; Jainta, M.; Melcher, A.; Nestler, B.; Nyamsuren-von Stackelberg, O.; Selzer, M.; Wendler, F.
2009. Werkstoffe und Technologien zur Kaltverformung. Tagungsband zum Technik-Forum 2008, Hochschule Pforzheim. Hrsg.: N. Jost, 9–36, Hochschule
A Lattice-Boltzmann model to simulate the growth of dendritic and eutectic microstructures under the influence of fluid flow
Selzer, M.; Jainta, M.; Nestler, B.
2009. Physica Status Solidi - B - Basic Solid State Physics, 246 (6), 1197–1205
Phase-field simulations of nuclei and early stage solidification microstructures
Nestler, B.; Selzer, M.; Danilov, D.
2009. Journal of physics / Condensed matter, 21, 464107. doi:10.1088/0953-8984/21/46/464107
2008
Massive multi-phase-field simulations: Methods to compute large grain systems
Nestler, B.; Reichardt, M.; Selzer, M.
2008. Aluminium alloys : their physical and mechanical properties. Proceedings of the 11th International Conference on Aluminium Alloys, 22 - 26 Sept. 2008, Aachen, Germany. Ed.: J. Hirsch, 1251–1255, Wiley-VCH Verlag
Simulations of solidification microstructures in the presence of phases with volume constraints and fluid flow
Jainta, M.; Nestler, B.; Selzer, M.
2008. Aluminium alloys : their physical and mechanical properties. Proceedings of the 11th International Conference on Aluminium Alloys, 22 - 26 Sept. 2008, Aachen, Germany. Ed.: J. Hirsch, 1199–1203, Wiley-VCH Verlag
Simulation von Strömungsprozessen mit der Lattice-Boltzmann-Methode
Jainta, M.; Selzer, M.; Nestler, B.
2008. Forschung aktuell, 2008, 84–86
Massive multi-phase-eld simulations. Methods to compute large grain systems
Nestler, B.; Reichardt, M.; Selzer, M.
2008. Aluminium alloys. Bd. 2. Ed.: J. Hirsch, 1251–1255, Wiley-VCH Verlag
Simulations of solidication microstructures in the presence of phases with volume constraints and fluid flow
Jainta, M.; Nestler, B.; Selzer, M.
2008. Aluminium alloys. Bd. 2. Ed.: J. Hirsch, 1199–1203, Wiley-VCH Verlag
Phase-field model for multiphase systems with preserved volume fractions
Nestler, B.; Wendler, F.; Selzer, M.
2008. Physical review / E, 78, 011604/1–7
2007
Optimierte parallele Algorithmen zur numerischen Simulation von Mikrostrukturen
Selzer, M.; Nestler, B.
2007. Aktuelle Trends in der Softwareforschung. Hrsg.: K. Haasis, 95–105, MFG-Stiftung BW
2006
Ein Kontinuumsmodell zur Beschreibung der Mikrostrukturausbildung bei der Versiegelung von Brüchen in Gesteinsadern
Nestler, B.; Selzer, M.; Wendler, F.
2006. Simulation in Umwelt- und Geowissenschaften. Hrsg.: J. Wittmann, 205–214, Shaker Verlag
Phasenfeldsimulation der Korngrenzenbewegung und des Kornwachstums in geologischen Materialien
Wendler, F.; Zamora-Morschhäuser, M.; Nestler, B.; Selzer, M.
2006. Simulation in Umwelt- und Geowissenschaften. Hrsg.: J. Wittmann, 215–224, Shaker Verlag
2005
Parallelization and Optimization of Microstructure Simulations
Frodl, T.; Nestler, B.; Selzer, M.
2005. Proceedings / 18. Symposium Simulationstechnique, Erlangen, September 12-15, 2005 / Hrsg.: F. Hülsemann, 161–169, SCS Publ. House
A coupled 3D Simulator for Solidification Microstructures with Fluid Flow
Selzer, M.; Nestler, B.; Wendler, F.
2005. Proceedings / 18. Symposium Simulationstechnique, Erlangen, September 12-15, 2005 / Hrsg.: F. Hülsemann, 124–130, SCS Publ. House