Cargando…
Effect of uniaxial strain on the site occupancy of hydrogen in vanadium from density-functional calculations
We investigate the influence of uniaxial strain on the site occupancy of hydrogen in vanadium, using density functional theory. The site occupancy is found to be strongly influenced by the strain state of the lattice. The results provide the conceptual framework for the atomistic description of the...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2015
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438716/ https://www.ncbi.nlm.nih.gov/pubmed/25993248 http://dx.doi.org/10.1038/srep10301 |