856 citations · 1.2k across the 19 of their papers we have counts for
15 papers · 1 filter
Electrochemical and thermal control of continuous phase transitions in P2-NaxNi1/3Mn2/3O2
Dylan A. Edelman, John Cattermull, Jue Liu +7
Sodium layered oxides often undergo phase transformations involving ordering or disordering of Na+ upon desodiation, i.e., when cycled as a battery electrode. Accurately characteri…
Phase stability in the Hf-N and Zr-N systems
Jonathan Li, Derick Ober, Anton Van der Ven
Hf and Zr nitrides are promising compounds for many technologically important areas, including high temperature structural applications, quantum computing and solar/optical applica…
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…
Inducing Skyrmion Flop Transitions in CoZnMn at Room Temperature
Simon A. Meynell, Yolita M. Eggeler, Joshua D. Bocarsly +9
Magnetic skyrmions are topologically-protected spin textures that manifest in certain non-centrosymmetric ferromagnets under the right conditions of temperature and field. In thin…