We present quantum molecular dynamics calculations of principal, porous, and double shock Hugoniots, release isentropes, and sound velocity behind the shock front for aluminum. A comprehensive analysis of available shock-wave data is performed; the agreement and discrepancies of simulation results with measurements are discussed. Special attention is paid to the melting region of aluminum along the principal Hugoniot; the boundaries of the melting zone are estimated using the self-diffusion coefficient. Also, we make a comparison with a high-quality multiphase equation of state for aluminum. Independent semiempirical and first-principle models are very close to each other in caloric variables (pressure, density, particle velocity, etc.) but the equation of state gives higher temperature on the principal Hugoniot and release isentropes than ab initio calculations. Thus, the quantum molecular dynamics method can be used for calibration of semiempirical equations of state in case of lack of experimental data.
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14 June 2014
Research Article|
June 11 2014
Quantum molecular dynamics simulation of shock-wave experiments in aluminum
D. V. Minakov;
D. V. Minakov
1
Joint Institute for High Temperatures RAS
, Izhorskaya 13 Bldg 2, Moscow 125412, Russia
2
Moscow Institute of Physics and Technology
, Institutskii per. 9, Dolgoprudny, Moscow Region 141700, Russia
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P. R. Levashov;
P. R. Levashov
1
Joint Institute for High Temperatures RAS
, Izhorskaya 13 Bldg 2, Moscow 125412, Russia
3
Tomsk State University
, 36 Lenin Prospekt, Tomsk 634050, Russia
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K. V. Khishchenko;
K. V. Khishchenko
1
Joint Institute for High Temperatures RAS
, Izhorskaya 13 Bldg 2, Moscow 125412, Russia
2
Moscow Institute of Physics and Technology
, Institutskii per. 9, Dolgoprudny, Moscow Region 141700, Russia
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V. E. Fortov
V. E. Fortov
1
Joint Institute for High Temperatures RAS
, Izhorskaya 13 Bldg 2, Moscow 125412, Russia
2
Moscow Institute of Physics and Technology
, Institutskii per. 9, Dolgoprudny, Moscow Region 141700, Russia
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J. Appl. Phys. 115, 223512 (2014)
Article history
Received:
March 26 2014
Accepted:
May 28 2014
Citation
D. V. Minakov, P. R. Levashov, K. V. Khishchenko, V. E. Fortov; Quantum molecular dynamics simulation of shock-wave experiments in aluminum. J. Appl. Phys. 14 June 2014; 115 (22): 223512. https://doi.org/10.1063/1.4882299
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