Calculated equation of state of Al, Cu, Ta, Mo, and W to 1000 GPa

Yi Wang, Dongquan Chen, Xinwei Zhang

Research output: Contribution to journalArticlepeer-review

159 Scopus citations

Abstract

Calculated Hugoniots and 293-K isotherms at pressures up to 1 TPa (10 Mbar) for the five reference metals Al, Cu, Ta, Mo, and W are reported using the classical mean-field approach where both the cold and the thermal parts of the Helmholtz free energy are derived entirely from the 0-K total energies and electronic density of states calculated with the full-potential linearized augmented plane wave method within the generalized gradient approximation to exchange correlational functional. Our approach permits efficient computation and invokes no empirical parameters. Both the experimental Hugoniots and 293-K isotherms are reproduced excellently.

Original languageEnglish (US)
Pages (from-to)3220-3223
Number of pages4
JournalPhysical review letters
Volume84
Issue number15
DOIs
StatePublished - 2000

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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