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Shock compression of niobium from first-principles.
- Source :
-
Journal of Applied Physics . 6/28/2019, Vol. 125 Issue 24, pN.PAG-N.PAG. 9p. 1 Chart, 11 Graphs. - Publication Year :
- 2019
-
Abstract
- The equation of state (EOS) of bulk niobium (Nb) was investigated within the framework of density functional theory, with Mermin's generalization to finite temperatures. The shock Hugoniot for fully-dense and porous Nb was obtained from canonical ab initio molecular dynamics simulations with Erpenbeck's approach based on the Rankine-Hugoniot jump conditions. The phase space was sampled along isotherms between 300 and 4000 K, for densities ranging from ρ = 5.5 to 12 g/cm 3. Results from simulations compare favorably with room-temperature multianvil and diamond anvil cell data for fully-dense Nb samples and with a recent tabulated SESAME EOS. The results of this study indicate that, for the application of weak and intermediate shocks, the tabular EOS models are expected to give reliable predictions. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00218979
- Volume :
- 125
- Issue :
- 24
- Database :
- Academic Search Index
- Journal :
- Journal of Applied Physics
- Publication Type :
- Academic Journal
- Accession number :
- 137253010
- Full Text :
- https://doi.org/10.1063/1.5094146