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Meeting

2026 TMS Annual Meeting & Exhibition

Symposium

Computational Thermodynamics and Kinetics

Presentation Title

Development of an Integrated Computational Materials Engineering (ICME) Framework for Microstructure Evolution in Complex Processes

Author(s)

Kate L.M. Elder, Scott Peters, Saad Khairallah, Joni Kaipainen, Brandon Bocklund, Gizem Isitman, Jean-Luc Fattebert, Tom Andersson, Anssi Laukkanen, Tatu Pinomaa, Aurelien Perron, Hernan Villanueva

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 engineering framework (ICME) 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:

Keywords

ICME, Phase Transformations, Additive Manufacturing

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