TY - JOUR
T1 - Going to 10 TPa
T2 - The calculated hugoniots for Cu, Ta, and Mo
AU - Wang, Y.
AU - Ahuja, R.
AU - Johansson, B.
N1 - Funding Information:
This work is supported by Swedish Foundation for Strategic Research (SSF), Swedish Natural Science Research Council (NFR), and Göran Gustafsson Foundation.
PY - 2002/5
Y1 - 2002/5
N2 - The Hugoniot equations of state for shock compressed Cu, Ta, and Mo are calculated at pressures up to 4TPa and then up to 10 TPa are obtained by extrapolation. The calculations are parameter-free in that the cold part of the Helmholtz free-energy is calculated using the first-principles full-potential linearized augmented plane wave method within the generalized gradient approximation, the thermal contribution to the Helmholtz free-energy due to the lattice oscillations is calculated using the recently developed classical mean-field potential approach, and that due to the thermal electrons is calculated using the one-dimensional numerical integration. The calculated results agree with the existing experimental values very well.
AB - The Hugoniot equations of state for shock compressed Cu, Ta, and Mo are calculated at pressures up to 4TPa and then up to 10 TPa are obtained by extrapolation. The calculations are parameter-free in that the cold part of the Helmholtz free-energy is calculated using the first-principles full-potential linearized augmented plane wave method within the generalized gradient approximation, the thermal contribution to the Helmholtz free-energy due to the lattice oscillations is calculated using the recently developed classical mean-field potential approach, and that due to the thermal electrons is calculated using the one-dimensional numerical integration. The calculated results agree with the existing experimental values very well.
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U2 - 10.1080/08957950212774
DO - 10.1080/08957950212774
M3 - Article
AN - SCOPUS:0346110678
SN - 0895-7959
VL - 22
SP - 485
EP - 489
JO - High Pressure Research
JF - High Pressure Research
IS - 2
ER -