Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session K60: Extreme Scale Computational Science Discovery in Fluid Dynamics and Related Disciplines II
3:00 PM–6:00 PM,
Tuesday, March 7, 2023
Room: Room 419
Sponsoring
Unit:
DCOMP
Chair: Daniel Livescu, LANL; Pui-Kuen Yeung, Georgia Institute of Technology
Abstract: K60.00003 : An Optimized Species-Conserving Monte Carlo Method with Potential Applicability to High Entropy Alloys*
3:48 PM–4:00 PM
Presenter:
Aziz Fall
(Carnegie Mellon University)
Authors:
Aziz Fall
(Carnegie Mellon University)
Kaushik Dayal
(Carnegie Mellon University)
Matthew J Grasinger
(Air Force Research Lab - WPAFB)
alloys. Current fast local-structure MC methods do not conserve the net concentration of atomic species, or
are inefficient for complex atomic systems. By coarse-graining the atomic lattice into clusters and developing
a renormalized MC method that takes advantage of the local structure of the atoms, we are able to significantly
reduce the number of iterations required for MC simulations to reach equilibrium. In addition, the structure of
the method enables easy parallelizability for the future.
*AFOSR (MURI FA9550-18-1-0095), GEM fellowship
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