TY - JOUR
T1 - Calculated equation of state of Al, Cu, Ta, Mo, and W to 1000 GPa
AU - Wang, Yi
AU - Chen, Dongquan
AU - Zhang, Xinwei
N1 - Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.
PY - 2000
Y1 - 2000
N2 - 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.
AB - 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.
UR - https://www.scopus.com/pages/publications/0000778563
UR - https://www.scopus.com/inward/citedby.url?scp=0000778563&partnerID=8YFLogxK
U2 - 10.1103/PhysRevLett.84.3220
DO - 10.1103/PhysRevLett.84.3220
M3 - Article
AN - SCOPUS:0000778563
SN - 0031-9007
VL - 84
SP - 3220
EP - 3223
JO - Physical review letters
JF - Physical review letters
IS - 15
ER -