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cond-mat.mtrl-sci2020★ 19 cited
Efficient determination of solid-state phase equilibrium with the Mutli-Cell Monte Carlo method
Edwin Antillon, Maryam Ghazisaeidi
Building on our previously introduced Multi-cell Monte Carlo (MC)^2 method for modeling phase coexistence, this paper provides important improvements for efficient determination of…
cond-mat.mtrl-sci2015★ 16 cited
Mesoscale simulations of shockwave energy dissipation via chemical reactions
Edwin Antillon, Alejandro Strachan
We use a particle-based mesoscale model that incorporates chemical reactions at a coarse-grained level to study the response of materials that undergo volume-reducing chemical reac…