2 citations · 2 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2023
Chemo-mechanics in alloy phase stability
Sesha Sai Behara, John C. Thomas, Brian Puchala +1
We describe a first-principles statistical mechanics method to calculate the free energies of crystalline alloys that depend on temperature, composition, and strain. The approach r…
cond-mat.mtrl-sci2023★ 2 cited
CASM Monte Carlo: Calculations of the thermodynamic and kinetic properties of complex multicomponent crystals
Brian Puchala, John C. Thomas, Anton Van der Ven
Monte Carlo techniques play a central role in statistical mechanics approaches for connecting macroscopic thermodynamic and kinetic properties to the electronic structure of a mate…