| Autor: |
Weck, Philippe F., Townsend, Joshua P., Cochrane, Kyle R., Crockett, Scott D., Moore, Nathan W. |
| Předmět: |
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| Zdroj: |
Journal of Applied Physics; 6/28/2019, Vol. 125 Issue 24, pN.PAG-N.PAG, 9p, 1 Chart, 11 Graphs |
| Abstrakt: |
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] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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