Publications

Mechanism of Radiation Damage Reduction in Equiatomic Multicomponent Single Phase Alloy

Journal: Physical Review Letters

Recently a new class of metal alloys, of single-phase multicomponent composition at roughly equal atomic concentrations (“equiatomic”), have been shown to exhibit promising mechanical, magnetic, and corrosion resistance properties, in particular, at high temperatures. These features make them potential candidates...

Electronic excitation induced amorphization in titanate pyrochlores: an ab initio molecular dynamics study

Journal: Scientific Reports

Spin density distribution for Gd2Ti2O7 with ~1.64 % excitation (without relaxation) (hi-res image) The response of titanate pyrochlores (A2Ti2O7, A = Y, Gd and Sm) to electronic excitation is investigated utilizing an ab initio molecular dynamics method....

Nanoscale Imaging of Fundamental Li Battery Chemistry: Solid-Electrolyte Interphase Formation and Preferential Growth of Lithium Metal Nanoclusters

Journal: Nano Lett.

The performance characteristics of Li-ion batteries are intrinsically linked to evolving nanoscale interfacial electrochemical reactions. To probe the mechanisms of solid electrolyte interphase (SEI) formation and to track Li nucleation and growth mechanisms from a standard organic battery electrolyte (LiPF6 in EC:...