The simulation of Gugoniot pressures for the Ni and Cu in the electron density functional method
Matematičeskoe modelirovanie, Tome 7 (1995) no. 8, pp. 75-90
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An original method based on the electron density functional method have been used to simulate on the computer the pressure-volume relations $P(V)$, the zero-temperature isotherms and Gugoniot pressures for nickel and copper. For calculating metal's properties under pressure additional parameters are not introduced, but the model functionals for equilibrium are used. In the paper the simulation of the crystal's free energy items are analyzed in detail. This model method allows to calculate isentrope of unloading and equation of state for transition metals.
@article{MM_1995_7_8_a4,
author = {M. N. Verozubov and P. P. Kaminskii and V. M. Kuznetsov and Yu. A. Khon},
title = {The simulation of {Gugoniot} pressures for the {Ni} and {Cu} in the electron density functional method},
journal = {Matemati\v{c}eskoe modelirovanie},
pages = {75--90},
year = {1995},
volume = {7},
number = {8},
language = {ru},
url = {http://geodesic.mathdoc.fr/item/MM_1995_7_8_a4/}
}
TY - JOUR AU - M. N. Verozubov AU - P. P. Kaminskii AU - V. M. Kuznetsov AU - Yu. A. Khon TI - The simulation of Gugoniot pressures for the Ni and Cu in the electron density functional method JO - Matematičeskoe modelirovanie PY - 1995 SP - 75 EP - 90 VL - 7 IS - 8 UR - http://geodesic.mathdoc.fr/item/MM_1995_7_8_a4/ LA - ru ID - MM_1995_7_8_a4 ER -
%0 Journal Article %A M. N. Verozubov %A P. P. Kaminskii %A V. M. Kuznetsov %A Yu. A. Khon %T The simulation of Gugoniot pressures for the Ni and Cu in the electron density functional method %J Matematičeskoe modelirovanie %D 1995 %P 75-90 %V 7 %N 8 %U http://geodesic.mathdoc.fr/item/MM_1995_7_8_a4/ %G ru %F MM_1995_7_8_a4
M. N. Verozubov; P. P. Kaminskii; V. M. Kuznetsov; Yu. A. Khon. The simulation of Gugoniot pressures for the Ni and Cu in the electron density functional method. Matematičeskoe modelirovanie, Tome 7 (1995) no. 8, pp. 75-90. http://geodesic.mathdoc.fr/item/MM_1995_7_8_a4/