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Meeting MS&T23: Materials Science & Technology
Symposium Computational Discovery, Understanding, and Design of Multi-principal Element Materials
Sponsorship TMS: Computational Materials Science and Engineering Committee
TMS: Mechanical Behavior of Materials Committee
Organizer(s) Shuozhi Xu, University of Oklahoma
Douglas E. Spearot, University of Florida
Jia Li, Hunan University
Michael C. Gao, National Energy Technology Laboratory
Levente Vitos, Royal Institute of Technology (KTH)
Scope The field of multi-principal element materials (MPEMs) has seen explosive development since its inception about two decades ago. Compared with pure elements and dilute solid solutions, MPEMs can possess high strength and hardness at high temperatures, excellent toughness and ductility at low temperatures, remarkable functionalities, as well as outstanding wear, fatigue, creep, corrosion, radiation, and oxidation resistances. Owing to the huge design space, there are increasing interests to develop novel MPEMs, for both structural and functional purposes, using computational approaches. This symposium provides an opportunity for scientists and engineers to present and discuss the latest progress in the discovery, understanding, and design of MPEMs via theory, modeling, simulations, and machine learning. Topics of interest include:

(1). Modeling and simulations using advanced numerical approaches such as density functional theory, molecular dynamics/statics, Monte Carlo, CALPHAD, discrete dislocation dynamics, phase-field method, and finite element analysis;
(2). Data-driven approaches toward understanding existing MPEMs and designing new MPEMs;
(3). Understanding mechanical behaviors of MPEMs that serve as structural materials, e.g., high/medium entropy metallic alloys/glasses;
(4). Understanding functional properties of MPEMs that serve as functional materials, e.g., high/medium entropy ceramics/polymers/semiconductors;
(5). Thermodynamics and kinetics-based assessments of MPEMs;
(6). Development of algorithms and databases for MPEMs.

Abstracts Due 03/15/2023
Proceedings Plan Undecided
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