86 citations · 190 across the 10 of their papers we have counts for
5 papers · 1 filter
Effect of structure and composition on the electronic excitation induced amorphization of LaTiZrO ceramics
Michel Sassi, Tiffany Kaspar, Kevin M. Rosso +1
Understanding the response of ceramics operating in extreme environments is of interest for a variety of applications. Ab initio molecular dynamic simulations have been used to inv…
Modeling Selective Intergranular Oxidation of Binary Alloys
Zhijie Xu, Dongsheng Li, Daniel K. Schreiber +2
Intergranular attack of alloys under hydrothermal conditions is a complex problem that depends on metal and oxygen transport kinetics via solid-state and channel-like pathways to a…
Metal Oxidation Kinetics and the Transition from Thin to Thick Films
Zhijie Xu, Kevin M. Rosso, Stephen Bruemmer
We report an investigation of growth kinetics and transition from thin to thick films during metal oxidation. In the thin film limit (< 20 nm), Cabrera and Mott's theory is usually…
A Generalized Mathematical Framework for Thermal Oxidation Kinetics
Zhijie Xu, Kevin M. Rosso, Stephen M. Bruemmer
We present a generalized mathematical model for thermal oxidation and the growth kinetics of oxide films. The model expands long-standing classical models by taking into account th…
A First Principles Investigation of Native Interstitial Diffusion in Cr2O3
Bharat Medasani, Maria L. Sushko, Kevin M. Rosso +2
First principles density functional theory (DFT) investigation of native interstitials and the associated self-diffusion mechanisms in α-Cr2O3 reveals that interstitials are more m…