IAM - Computational Materials Science
Johannes Hoetzer

Dr.-Ing. Johannes Hötzer

Forschung

Large Scale and Massiv Parallel Phase-field
Simulations of ternary eutectics

Massive parallel simulations Hoetzer_Research_Image2Hoetzer_Research_Image1

  • Message Passing Interface (MPI)
  • Up to 84700 CPUs
  • Vectorization (SIMD)
  • Domain decompostion
  • High Performance Computing
  • SuperMUC, Hornet/Hazel Hen, ForHLR

 

 

Large domainsHoetzer_Research_Image3

  • Up to 2420x2420x1700 voxel cells
  • Optimized output formats
  • (LROP/Mesh)

 

 

 

 

 

 

 

 

 

 

 

Preprocessing

  • Generation of inital fillings (Foams, Packings)
  • Converter (EBS, STL,..)

 

Hoetzer_Research_Image4Hoetzer_Research_Image5

 

Postprocessing

  • VisualisationHoetzer_Research_Image6
  • converter (EBSD, Vtk, CAD,..)
  • analysis (volume, velocity,...)
  • manipulation (domain size,...)
  • visualization (stl, wulffplots, infileeditor,...)
  • thermodynamics (Calphad to Infile, phase diagram)
  • fillings (voronoi, packaging,...)
  • graph analysis

 

Hoetzer_Research_Image7Hoetzer_Research_Image8

 

 

 

 

 

Publikationsliste


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
Lustre I/O performance investigations on Hazel Hen: experiments and heuristics.
Seiz, M.; Offenhäuser, P.; Andersson, S.; Hötzer, J.; Hierl, H.; Nestler, B.; Resch, M.
2021. The journal of supercomputing. doi:10.1007/s11227-021-03730-7
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
Groundwater remediation – numerical models and experiments.
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
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
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
Bad Nodes Considered Harmful: How to Find and Fix the Problem.
Seiz, M.; Hötzer, J.; Hierl, H.; Andersson, S.; Nestler, B.
2020. Sustained Simulation Performance 2018 and 2019 – Proceedings of the Joint Workshops on Sustained Simulation Performance, University of Stuttgart (HLRS) and Tohoku University, 2018 and 2019. Ed.: M. Resch, 123–130, Springer International Publishing. doi:10.1007/978-3-030-39181-2_11
Extreme Scale Phase-Field Simulation of Sintering Processes.
Hierl, H.; Hötzer, J.; Seiz, M.; Reiter, A.; Nestler, B.
2020. 2019 IEEE/ACM 10th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), Denver, CO, USA, 18-18 Nov. 2019, 25–32, Institute of Electrical and Electronics Engineers (IEEE). doi:10.1109/ScalA49573.2019.00009
Application of Gaussian process autoregressive models for capturing the time evolution of microstructure statistics from phase-field simulations for sintering of polycrystalline ceramics.
Yabansu, Y. C.; Rehn, V.; Hötzer, J.; Nestler, B.; Kalidindi, S. R.
2019. Modelling and simulation in materials science and engineering, 27 (8), Art.-Nr. 084006. doi:10.1088/1361-651X/ab413e
Code generation for massively parallel phase-field simulations.
Bauer, M.; Hötzer, J.; Ernst, D.; Hammer, J.; Seiz, M.; Hierl, H.; Hönig, J.; Köstler, H.; Wellein, G.; Nestler, B.; Rüde, U.
2019. SC ’19: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis, Art.-Nr.: a59, Association for Computing Machinery (ACM). doi:10.1145/3295500.3356186
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
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
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. doi:10.1088/1757-899X/529/1/012007
Phase-field study of grain growth in porous polycrystals.
Rehn, V.; Hötzer, J.; Rheinheimer, W.; Seiz, M.; Serr, C.; Nestler, B.
2019. Acta materialia, 174, 439–449. doi:10.1016/j.actamat.2019.05.059
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
A scalable and extensible checkpointing scheme for massively parallel simulations.
Kohl, N.; Hötzer, J.; Schornbaum, F.; Bauer, M.; Godenschwager, C.; Köstler, H.; Nestler, B.; Rüde, U.
2019. The international journal of high performance computing applications, 33 (4), 571–589. doi:10.1177/1094342018767736
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
Graph-based investigation of three-dimensional microstructure rearrangement during ternary eutectic directional solidification of Al-Ag-Cu.
Steinmetz, P.; Hötzer, J.; Dennstedt, A.; Serr, C.; Nestler, B.; Genau, A.
2018. Journal of crystal growth, 498, 230–243. doi:10.1016/j.jcrysgro.2018.06.028
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
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
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
Massively Parallel Stencil Code Solver with Autonomous Adaptive Block Distribution.
Berghoff, M.; Kondov, I.; Hötzer, J.
2018. IEEE transactions on parallel and distributed systems, 29 (10), 2282–2296. doi:10.1109/TPDS.2018.2819672
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
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
Large-Scale and Massively Parallel Phase-Field Simulations of Pattern Formation in Ternary Eutectic Alloys.
Hötzer, J.; Bauer, M.; Jainta, M.; Steinmetz, P.; Berghoff, M.; Schornbaum, F.; Godenschwager, C.; Köstler, H.; Rüde, U.; Nestler, B.
2015. SC15, Austin, TX, November 16 - 19 in Austin, Texas, USA
Application of Large-Scale Phase-Field Simulations in the Context of High-Performance Computing.
Hötzer, J.; Jainta, M.; Ben Said, M.; Steinmetz, P.; Berghoff, M.; Nestler, B.
2016. High Performance Computing in Science and Engineering ’15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015. Ed.: W. Nagel, 659–674, Springer International Publishing. doi:10.1007/978-3-319-24633-8_42
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
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
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
Packungsalgorithmen zur Generierung granularer Partikelstrukturen für die Simulation von Sinterprozessen.
Hötzer, J.; Rölle, M.; Nestler, B.
2014. Forschung aktuell, 2014, 57–60
Die Vielfalt der Musterbildung in Metallen - Großskalige Phasenfeldsimulationen zur gerichteten Erstarrung ternärer eutektischer Systeme.
Hötzer, J.; Jainta, M.; Steinmetz, P.; Dennstedt, A.; Nestler, B.
2015. Horizonte, 45, 10–13
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
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
Large scale phase-field simulations of directional ternary eutectic solidification.
Hötzer, J.; Jainta, M.; Steinmetz, P.; Nestler, B.; Dennstedt, A.; Genau, A.; Bauer, M.; Köstler, H.; Rüde, U.
2015. Acta materialia, 93, 194–204. doi:10.1016/j.actamat.2015.03.051
Analytics for microstructure datasets produced by phase-field simulations.
Steinmetz, P.; Yabansu, Y. C.; Hötzer, J.; Jainta, M.; Nestler, B.; Kalidindi, S. R.
2016. Acta materialia, 103, 192–203. doi:10.1016/j.actamat.2015.09.047
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
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
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
Extraction of reduced-order process-structure linkages from phase-field simulations.
Yabansu, Y. C.; Steinmetz, P.; Hötzer, J.; Kalidindi, S. R.; Nestler, B.
2017. Acta materialia, 124, 182–194. doi:10.1016/j.actamat.2016.10.071
Compound Droplets on Fibers.
Weyer, F.; Ben Said, M.; Hötzer, J.; Berghoff, M.; Dreesen, L.; Nestler, B.; Vandewalle, N.
2015. Langmuir, 31 (28), 7799–7805. doi:10.1021/acs.langmuir.5b01391
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
Massively parallel phase-field simulations for ternary eutectic directional solidification.
Bauer, M.; Hötzer, J.; Jainta, M.; Steinmetz, P.; Berghoff, M.; Schornbaum, F.; Godenschwager, C.; Köstler, H.; Nestler, B.; Rüde, U.
2015. International Conference for High Performance Computing, Networking, Storage and Analysis, SC 2015; Austin; United States; 15 November 2015 through 20 November 2015, Art.Nr.: 8, Association for Computing Machinery (ACM). doi:10.1145/2807591.2807662
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
Phase-field study of pore-grain boundary interaction.
Hötzer, J.; Rehn, V.; Rheinheimer, W.; Hoffmann, M. J.; Nestler, B.
2016. Journal of the Ceramic Society of Japan, 124 (4), 329–339. doi:10.2109/jcersj2.15266
Metallic foam structures, dendrites and implementation optimizations for phase-field modeling.
Vondrous, A.; Nestler, B.; August, A.; Wesner, E.; Choudhury, A.; Hötzer, J.
2011. High Performance Computing in Science and Engineering, Stuttgart, October 4-5, 2011
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
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
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
Metallic foam structures, dendrites and implementation optimizations for phase-field modeling.
Vondrous, A.; Nestler, B.; August, A.; Wesner, E.; Choudhury, A.; Hötzer, J.
2012. High performance computing in science and engineering ’ 11 : transactions of the High Performance Computing Center, Stuttgart (HLRS) 2011. Ed.: W.E. Nagel, 595–606, Springer Verlag. doi:10.1007/978-3-642-23869-7_43
Veröffentlichungen
Titel Autor Quelle

Computational Materials Science, 2015
 

Acta Materialia

Journal of Materials Science, 2015

DOI: 10.1007/s10853-015-9542-7

Forschungsbericht 2016

In The International Conference for High Performance Computing, Networking, Storage, and Analysis (SC15)

Langmuir, 2015

High Performance Computing in Science and Engineering ’15: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2015. Springer

Ingenieurspiegel

Horizonte, 2015

Acta Materialia (submitted)

Acta Materialia, 93(0):194 – 204, 2015. ISSN 1359-6454

Forschung aktuell 2015

Forschung aktuell 2014

Int. J. High Perform. Comput. Appl., 28(1):61–72, February 2014. ISSN 1094-3420.doi: 10.1177/1094342013490972

High Performance Computing in Science and Engineering ’14: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2014

High Performance Computing in Science and Engineering ’11: Transactions of the High Performance Computing Center, Stuttgart (HLRS) 2011. Springer, 2015 edition, 2011. ISBN 978-3-642-23869-7

International Journal of High
Performance Computing Applications, 1 (2013), 12

Konferenzen
Titel Autor Konferenz

SimGPU 2013

Junior Euromat 2012

HLRS Results and Review Workshop 2015

SIAM Conference on Computational Science and Engineering (CES 2015)

SuperComputing (SC15)

8th International Conference on High Temperature Capillarity (HTC-2015)

HLRS Results and Review Workshop 2014

CIMTEC 2014