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Meeting 2027 TMS Annual Meeting & Exhibition
Symposium Computational Thermodynamics and Kinetics
Presentation Title Uncovering Process-Structure-Process Links Through Multiscale Modeling of Complex Processes
Author(s) Kate L.M. Elder, Scott Peters, Saad Khairallah, Gizem Isitman, Joni Kaipainen, Michael Tupek, Brandon Bocklund, Daniel Tortorelli, John Roehling, Seth Watts, Jean-Luc Fattebert, Tom Andersson, Anssi Laukkanen, Tatu Pinomaa, Hernan Villanueva, Aurelien Perron
On-Site Speaker (Planned) Kate L.M. Elder
Abstract Scope Process-structure-process links must be well understood to design novel materials with enhanced properties. An integrated computational materials engineering (ICME) framework is constructed to predict the morphology changes when alloys are processed via cold hearth melting and additive manufacturing (selected laser melting, directed energy deposition). Using CALPHAD, an in-house database is constructed for Nb-Ti and the high entropy alloy, MoNbTaVW. This alloy specific thermodynamic information is incorporated into PyPhaseField, an open-source phase-field code developed for rapid simulation of large-scale microstructural evolution using highly parallel GPU programming. Thermal profiles of the additive manufacturing processes, generated via computational fluid dynamics modeling, are used to estimate the temperature gradients in space and time. Property models and morphology characterization are used to assess the processing conditions that lead to enhanced mechanical properties. Prepared by LLNL under Contract DE-AC52-07NA27344.
Proceedings Inclusion? Planned:

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