856 citations · 1.2k across the 19 of their papers we have counts for
3 papers · 1 filter
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…
Thermodynamically Informed Priors for Uncertainty Propagation in First-Principles Statistical Mechanics
Derick E. Ober, Anton Van der Ven
This work demonstrates how first-principles thermodynamic research within a Bayesian framework can quantify and propagate uncertainties to downstream thermodynamic calculations. To…
Ferroelastic toughening: can it solve the mechanics challenges of solid electrolytes?
Anton Van der Ven, Robert M. McMeeking, Raphaële J. Clément +1
The most promising solid electrolytes for all-solid-state Li batteries are oxide and sulfide ceramics. Current ceramic solid electrolytes are brittle and lack the toughness to with…