Forschung
Integration of thermodynamic energies from
CALPHAD databases in phase-field simulations
Preprocessing
- Extraction of thermodynamic energies from CALPHAD databases
- Construction of new computational economical Gibbs free energy formulations by fit
- Implementation of new formalisms in phase-field simulations
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Directional solidification of superalloys
Phase-field simulations
- Directional solidification of the nickel-based superalloys with intermatallic phase NiAl (BCC-B2 stucture)
- Directional solidification of niob-silicides with stoichiometric phase
- Investigated systems: NiAl-Cr, NiAl-Mo, Ni-Al-Cr, Ni-Al-Mo, Nb-Si and Nb-Si-Cr
| Titel | Autor | Quelle |
|---|---|---|
| Integration of thermodynamic energies in phase-field simulations: Ternary solidification | M. Kellner, P. Steinmetz, I. Sprenger, F. Gang, A. Choudhury, B. Nestler |
2015 Intermetallics, Bad Staffelstein September 28 - Oktober 2, 2015 |
Publikationsliste
Influence of the Phase Fractions on the Formation of Eutectic Colonies: A Large‐Scale Phase‐Field Study
Kellner, M.; Hierl, H.; Nestler, B.
2024. Advanced Engineering Materials, Art.-Nr.: 2301766. doi:10.1002/adem.202301766
Kellner, M.; Hierl, H.; Nestler, B.
2024. Advanced Engineering Materials, Art.-Nr.: 2301766. doi:10.1002/adem.202301766
Role of orientation relationship for the formation of morphology and preferred orientation in NiAl-(Cr,Mo) during directional solidification
Kauffmann, A.; Schulz, C.; Laube, S.; Kellner, M.; Nestler, B.; Heilmaier, M.
2023. International Conference on Processing & Manufacturing of Advanced Materials : Processing, Fabrication, Properties, Applications (Thermec 2023), Wien, Österreich, 2.–7. Juli 2023
Kauffmann, A.; Schulz, C.; Laube, S.; Kellner, M.; Nestler, B.; Heilmaier, M.
2023. International Conference on Processing & Manufacturing of Advanced Materials : Processing, Fabrication, Properties, Applications (Thermec 2023), Wien, Österreich, 2.–7. Juli 2023
Phase-Field Simulation of the Microstructure Evolution in the Eutectic Alloy NiAl-31Cr-3Mo
Kellner, M.; Schulz, C.; Kauffmann, A.; Heilmaier, M.; Nestler, B.
2023. Crystals, 13 (7), Article no: 1046. doi:10.3390/cryst13071046
Kellner, M.; Schulz, C.; Kauffmann, A.; Heilmaier, M.; Nestler, B.
2023. Crystals, 13 (7), Article no: 1046. doi:10.3390/cryst13071046
Microstructure evolution in the self-propagating reaction in Al/Ru bilayers by phase-field simulations and experiments
Dargahi Noubary, K.; Schäfer, C.; Pauly, C.; Kellner, M.; Ott, V.; Stüber, M.; Mücklich, F.; Nestler, B.
2023. Journal of vacuum science & technology / A, 41 (4), Art.-Nr.: 043407. doi:10.1116/6.0002587
Dargahi Noubary, K.; Schäfer, C.; Pauly, C.; Kellner, M.; Ott, V.; Stüber, M.; Mücklich, F.; Nestler, B.
2023. Journal of vacuum science & technology / A, 41 (4), Art.-Nr.: 043407. doi:10.1116/6.0002587
Simulation of dendritic–eutectic growth with the phase-field method
Seiz, M.; Kellner, M.; Nestler, B.
2023. Acta Materialia, 254, Art.-Nr.: 118965. doi:10.1016/j.actamat.2023.118965
Seiz, M.; Kellner, M.; Nestler, B.
2023. Acta Materialia, 254, Art.-Nr.: 118965. doi:10.1016/j.actamat.2023.118965
Role of orientation relationship for the formation of morphology and preferred orientation in NiAl-(Cr,Mo) during directional solidification
Schulz, C.; Kauffmann, A.; Laube, S.; Kellner, M.; Nestler, B.; Heilmaier, M.
2022. Acta Materialia, 231, Art.Nr. 117857. doi:10.1016/j.actamat.2022.117857
Schulz, C.; Kauffmann, A.; Laube, S.; Kellner, M.; Nestler, B.; Heilmaier, M.
2022. Acta Materialia, 231, Art.Nr. 117857. doi:10.1016/j.actamat.2022.117857
Rotating Directional Solidification of Ternary Eutectic Microstructures in Bi-In-Sn: A Phase-Field Study
Noubary, K. D.; Kellner, M.; Nestler, B.
2022. Materials, 15 (3), Art.-Nr.: 1160. doi:10.3390/ma15031160
Noubary, K. D.; Kellner, M.; Nestler, B.
2022. Materials, 15 (3), Art.-Nr.: 1160. doi:10.3390/ma15031160
Modeling of stoichiometric phases in off-eutectic compositions of directional solidifying NbSi-10Ti for phase-field simulations
Kellner, M.; Enugala, S. N.; Nestler, B.
2022. Computational Materials Science, 203, Art.-Nr.: 111046. doi:10.1016/j.commatsci.2021.111046
Kellner, M.; Enugala, S. N.; Nestler, B.
2022. Computational Materials Science, 203, Art.-Nr.: 111046. doi:10.1016/j.commatsci.2021.111046
Data workflow to incorporate thermodynamic energies from Calphad databases into grand-potential-based phase-field models
Dargahi Noubary, K.; Kellner, M.; Hötzer, J.; Seiz, M.; Seifert, H. J.; Nestler, B.
2021. Journal of Materials Science, 56 (20), 11932–11952. doi:10.1007/s10853-021-06033-7
Dargahi Noubary, K.; Kellner, M.; Hötzer, J.; Seiz, M.; Seifert, H. J.; Nestler, B.
2021. Journal of Materials Science, 56 (20), 11932–11952. doi:10.1007/s10853-021-06033-7
The Impact of Pores on Microstructure Evolution: A Phase-Field Study of Pore-Grain Boundary Interaction
Rehn, V.; Hötzer, J.; Kellner, M.; Seiz, M.; Serr, C.; Rheinheimer, W.; Hoffmann, M. J.; Nestler, B.
2018. High Performance Computing in Science and Engineering ’ 17: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2017. Ed.: W. Nagel, 485–502, Springer International Publishing. doi:10.1007/978-3-319-68394-2_29
Rehn, V.; Hötzer, J.; Kellner, M.; Seiz, M.; Serr, C.; Rheinheimer, W.; Hoffmann, M. J.; Nestler, B.
2018. High Performance Computing in Science and Engineering ’ 17: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2017. Ed.: W. Nagel, 485–502, Springer International Publishing. doi:10.1007/978-3-319-68394-2_29
Groundwater remediation – numerical models and experiments
Nestler, B.; Kellner, M.; Hötzer, J.; Kunz, W.
2018. Forschung aktuell, 59–63
Nestler, B.; Kellner, M.; Hötzer, J.; Kunz, W.
2018. Forschung aktuell, 59–63
Influence of velocity changes during directional solidification using large-scale phase-field simulations
Nestler, B.; Kellner, M.; Hötzer, J.; Kunz, W.
2018. Gauss Centre for Supercomputing
Nestler, B.; Kellner, M.; Hötzer, J.; Kunz, W.
2018. Gauss Centre for Supercomputing
Phase-field study of microstructure evolution in directionally solidified NiAl-34Cr during dynamic velocity changes
Kellner, M.; Steinmetz, P.; Hötzer, J.; Nestler, B.; Dargahi Noubary, K.; Kunz, W.
2019. Solidification processing 2017 : proceedings of the 6th Decennial International Conference on Solidification Processing : 25-28 July 2017, Beaumont Estate, Old Windsor, UK / SP 17 ; edited by Z. Fan, 372–375, BCAST
Kellner, M.; Steinmetz, P.; Hötzer, J.; Nestler, B.; Dargahi Noubary, K.; Kunz, W.
2019. Solidification processing 2017 : proceedings of the 6th Decennial International Conference on Solidification Processing : 25-28 July 2017, Beaumont Estate, Old Windsor, UK / SP 17 ; edited by Z. Fan, 372–375, BCAST
Modellierung mehrkomponentiger Materialsysteme für die Phasenfeldmethode und Analyse der simulierten Mikrostrukturen. Dissertation
Kellner, M.
2021. KIT Scientific Publishing. doi:10.5445/KSP/1000122989
Kellner, M.
2021. KIT Scientific Publishing. doi:10.5445/KSP/1000122989
Calibration of a concentration-driven nucleation mechanism for phase-field simulations of eutectic and off-eutectic compositions in AlCu-5Ag
Hinrichs, F.; Kellner, M.; Hötzer, J.; Nestler, B.
2020. Scripta materialia, 186, 89–94. doi:10.1016/j.scriptamat.2020.05.018
Hinrichs, F.; Kellner, M.; Hötzer, J.; Nestler, B.
2020. Scripta materialia, 186, 89–94. doi:10.1016/j.scriptamat.2020.05.018
Modellierung mehrkomponentiger Materialsysteme für die Phasenfeldmethode und Analyse der simulierten Mikrostrukturen. Dissertation
Kellner, M.
2020, Mai 20. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000119330
Kellner, M.
2020, Mai 20. Karlsruher Institut für Technologie (KIT). doi:10.5445/IR/1000119330
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
Kellner, M.; Hötzer, J.; Schoof, E.; Nestler, B.
2020. Acta materialia, 182, 267–277. doi:10.1016/j.actamat.2019.10.028
Theoretical and numerical investigations of rod growth of an Ni–Zr eutectic alloy
Enugala, S. N.; Kellner, M.; Kobold, R.; Hötzer, J.; Kolbe, M.; Nestler, B.; Herlach, D.
2019. Journal of materials science, 54 (19), 12605–12622. doi:10.1007/s10853-019-03802-3
Enugala, S. N.; Kellner, M.; Kobold, R.; Hötzer, J.; Kolbe, M.; Nestler, B.; Herlach, D.
2019. Journal of materials science, 54 (19), 12605–12622. doi:10.1007/s10853-019-03802-3
Investigation of the microstructure adjustment by velocity variations during the directional solidification of Al-Ag-Cu with the phase-field method
Hötzer, J.; Kellner, M.; Kunz, W.; Nestler, B.
2019. Joint 5th International Conference on Advances in Solidification Processes (ICASP-5) & 5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining (CSSCR-5) 17–21 June 2019, Salzburg, Austria, Article No.012007, Institute of Physics Publishing Ltd (IOP Publishing Ltd). doi:10.1088/1757-899X/529/1/012007
Hötzer, J.; Kellner, M.; Kunz, W.; Nestler, B.
2019. Joint 5th International Conference on Advances in Solidification Processes (ICASP-5) & 5th International Symposium on Cutting Edge of Computer Simulation of Solidification, Casting and Refining (CSSCR-5) 17–21 June 2019, Salzburg, Austria, Article No.012007, Institute of Physics Publishing Ltd (IOP Publishing Ltd). doi:10.1088/1757-899X/529/1/012007
Phase-field simulation of solid state sintering
Hötzer, J.; Seiz, M.; Kellner, M.; Rheinheimer, W.; Nestler, B.
2019. Acta materialia, 164, 184–195. doi:10.1016/j.actamat.2018.10.021
Hötzer, J.; Seiz, M.; Kellner, M.; Rheinheimer, W.; Nestler, B.
2019. Acta materialia, 164, 184–195. doi:10.1016/j.actamat.2018.10.021
Quantitative Comparison of Ternary Eutectic Phase-Field Simulations with Analytical 3D Jackson–Hunt Approaches
Steinmetz, P.; Kellner, M.; Hötzer, J.; Nestler, B.
2018. Metallurgical and materials transactions / B, 49 (1), 213–224. doi:10.1007/s11663-017-1142-2
Steinmetz, P.; Kellner, M.; Hötzer, J.; Nestler, B.
2018. Metallurgical and materials transactions / B, 49 (1), 213–224. doi:10.1007/s11663-017-1142-2
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
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
Phase-field study of dynamic velocity variations during directional solidification of eutectic NiAl-34Cr
Kellner, M.; Kunz, W.; Steinmetz, P.; Hötzer, J.; Nestler, B.
2018. Computational materials science, 145, 291–305. doi:10.1016/j.commatsci.2017.12.053
Kellner, M.; Kunz, W.; Steinmetz, P.; Hötzer, J.; Nestler, B.
2018. Computational materials science, 145, 291–305. doi:10.1016/j.commatsci.2017.12.053
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
Nestler, B.; August, A.; Selzer, M.; Hötzer, J.; Kellner, M.; Prajapati, N.; Rehn, V.; Seiz, M.
2018. Ceramic applications, 6 (1), 73–77
Study of pattern selection in 3D phase-field simulations during the directional solidification of ternary eutectic Al-Ag-Cu
Steinmetz, P.; Hötzer, J.; Kellner, M.; Genau, A.; Nestler, B.
2018. Computational materials science, 148, 131–140. doi:10.1016/j.commatsci.2018.02.040
Steinmetz, P.; Hötzer, J.; Kellner, M.; Genau, A.; Nestler, B.
2018. Computational materials science, 148, 131–140. doi:10.1016/j.commatsci.2018.02.040
Phasenfeldsimulationen zur Mikrostrukturentwicklung während des Sinterprozesses
Hölzer, J.; Kellner, M.; Rehn, V.; Seiz, M.; Nestler, B.
2017. Forschung aktuell, 8–12
Hölzer, J.; Kellner, M.; Rehn, V.; Seiz, M.; Nestler, B.
2017. Forschung aktuell, 8–12
Influence of growth velocity variations on the pattern formation during the directional solidification of ternary eutectic Al-Ag-Cu
Hötzer, J.; Steinmetz, P.; Dennstedt, A.; Genau, A.; Kellner, M.; Sargin, I.; Nestler, B.
2017. Acta materialia, 136, 335–346. doi:10.1016/j.actamat.2017.07.007
Hötzer, J.; Steinmetz, P.; Dennstedt, A.; Genau, A.; Kellner, M.; Sargin, I.; Nestler, B.
2017. Acta materialia, 136, 335–346. doi:10.1016/j.actamat.2017.07.007
Phase-field study on the effects of process and material parameters on the tilt angle during directional solidification of ternary eutectics
Dargahi Noubary, K.; Kellner, M.; Steinmetz, P.; Hötzer, J.; Nestler, B.
2017. Computational materials science, 138, 403–411. doi:10.1016/j.commatsci.2017.07.006
Dargahi Noubary, K.; Kellner, M.; Steinmetz, P.; Hötzer, J.; Nestler, B.
2017. Computational materials science, 138, 403–411. doi:10.1016/j.commatsci.2017.07.006
Design for Energy Efficiency: Structural Optimization Process for Mechanical Parts in Dynamic Systems
Sander, C.; Kellner, M.; Albers, A.
2013. NWC 2013, NAFEMS world congress SPDM, International Conference Simulation Process & Data Management, Salzburg, Austria, 9. - 12. June, 2013, Bernau am Chiemsee NAFEMS Deutschland
Sander, C.; Kellner, M.; Albers, A.
2013. NWC 2013, NAFEMS world congress SPDM, International Conference Simulation Process & Data Management, Salzburg, Austria, 9. - 12. June, 2013, Bernau am Chiemsee NAFEMS Deutschland
Study of complex microstructure evolution in ternary eutectic alloys with massive parallel large-scale phasefield simulations
Hötzer, J.; Jainta, M.; Bauer, M.; Steinmetz, P.; Kellner, M.; Köstler, H.; Rüde, U.; Nestler, B.
2016. High performance computing in science and engineering, Garching/Munich 2016. Ed.: S. Wagner, 194–195, Bayerische Akademie der Wissenschaften
Hötzer, J.; Jainta, M.; Bauer, M.; Steinmetz, P.; Kellner, M.; Köstler, H.; Rüde, U.; Nestler, B.
2016. High performance computing in science and engineering, Garching/Munich 2016. Ed.: S. Wagner, 194–195, Bayerische Akademie der Wissenschaften
Phase-field simulation of the microstructure evolution in the eutectic NiAl-34Cr system
Kellner, M.; Sprenger, I.; Steinmetz, P.; Hötzer, J.; Nestler, B.; Heilmaier, M.
2017. Computational materials science, 128, 379–387. doi:10.1016/j.commatsci.2016.11.049
Kellner, M.; Sprenger, I.; Steinmetz, P.; Hötzer, J.; Nestler, B.; Heilmaier, M.
2017. Computational materials science, 128, 379–387. doi:10.1016/j.commatsci.2016.11.049
Large-scale phase-field simulations of ternary eutectic microstructure evolution
Steinmetz, P.; Hötzer, J.; Kellner, M.; Dennstedt, A.; Nestler, B.
2016. Computational materials science, 117, 205–214. doi:10.1016/j.commatsci.2016.02.001
Steinmetz, P.; Hötzer, J.; Kellner, M.; Dennstedt, A.; Nestler, B.
2016. Computational materials science, 117, 205–214. doi:10.1016/j.commatsci.2016.02.001
Phase-field simulations of spiral growth during directional ternary eutectic solidification
Hötzer, J.; Steinmetz, P.; Jainta, M.; Schulz, S.; Kellner, M.; Nestler, B.; Genau, A.; Dennstedt, A.; Bauer, M.; Köstler, H.; Rüde, U.
2016. Acta materialia, 106, 249–259. doi:10.1016/j.actamat.2015.12.052
Hötzer, J.; Steinmetz, P.; Jainta, M.; Schulz, S.; Kellner, M.; Nestler, B.; Genau, A.; Dennstedt, A.; Bauer, M.; Köstler, H.; Rüde, U.
2016. Acta materialia, 106, 249–259. doi:10.1016/j.actamat.2015.12.052
Applications of the phase-field method for the solidification of microstructures in multi-component systems
Hötzer, J.; Kellner, M.; Steinmetz, P.; Nestler, B.
2016. Journal of the Indian Institute of Science, 96 (3), 235–256
Hötzer, J.; Kellner, M.; Steinmetz, P.; Nestler, B.
2016. Journal of the Indian Institute of Science, 96 (3), 235–256
A method for coupling the phase-field model based on a grand-potential formalism to thermodynamic databases
Choudhury, A.; Kellner, M.; Nestler, B.
2015. Current opinion in solid state & materials science, 19 (5), 287–300. doi:10.1016/j.cossms.2015.03.003
Choudhury, A.; Kellner, M.; Nestler, B.
2015. Current opinion in solid state & materials science, 19 (5), 287–300. doi:10.1016/j.cossms.2015.03.003
Phase-field study of the pattern formation in Al-Ag-Cu under the influence of the melt concentration
Steinmetz, P.; Kellner, M.; Hötzer, J.; Dennstedt, A.; Nestler, B.
2016. Computational Materials Science, 121, 6–13. doi:10.1016/j.commatsci.2016.04.025
Steinmetz, P.; Kellner, M.; Hötzer, J.; Dennstedt, A.; Nestler, B.
2016. Computational Materials Science, 121, 6–13. doi:10.1016/j.commatsci.2016.04.025
| Titel | Autor | Quelle |
|---|---|---|
| A method for coupling the phase-field model based on a grand-potential formalism to thermodynamic databases | A. Choudhury, M. Kellner, B. Nestler |
Current Opinion in Solid State and Material Science, 19, 5, (2015). 287-300 |