Density Functional Theory Studies Of Hydrogen/Nitrogen Super-Saturation Mechanisms In Transition Metals Andmetal Hydrides/Nitrides
Abstract
The goal of this study is to develop a DFT-based rate model for the absorption of Hydrogen in Palladium alloys and nitrogen in vanadium alloys. The results will give insight into how super-saturation affects the kinetics of absorption of these species. The local expansion of the lattice at high concentrations is thought to locally alter the energetics of binding, which has the potential to further alter the kinetics of diffusion process, which may lead to interesting effects.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Dec 05, 2016
- Source ID
- FA95501610357
Entities
People
- Jennifer Wilcox
Organizations
- Air Force Office of Scientific Research
- Colorado School of Mines
- United States Air Force