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Thermal properties of Al at high pressures and temperatures

Thermal properties of Al at high pressures and temperatures Thermal properties of the face-centered-cubic (fcc) aluminum (Al) crystal including the linear thermal expansion coefficient, specific heat at constant volume, Hugoniot in the P - V plane, thermodynamic Grüneisen parameter and elastic constants at pressures up to 120 GPa and temperatures to 3300 K have been evaluated by using the full-potential linear muffin-tin orbital (FPLMTO) total-energy method combining with a mean-field model of the vibrational partition function. The mean-field is constructed from the sum of all the pair potentials between the reference atom and the others of the system. The calculated properties are in good agreement with available static and shock-wave experimental measurements. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Thermal properties of Al at high pressures and temperatures

Xiang, Shikai; Cai, Lingcang; Jing, Fuqian
Physical Review B , Volume 70 (17) – Nov 1, 2004
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Publisher
American Physical Society (APS)
Copyright
Copyright © 2004 The American Physical Society
ISSN
1550-235X
DOI
10.1103/PhysRevB.70.174102
Publisher site
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Abstract

Thermal properties of the face-centered-cubic (fcc) aluminum (Al) crystal including the linear thermal expansion coefficient, specific heat at constant volume, Hugoniot in the P - V plane, thermodynamic Grüneisen parameter and elastic constants at pressures up to 120 GPa and temperatures to 3300 K have been evaluated by using the full-potential linear muffin-tin orbital (FPLMTO) total-energy method combining with a mean-field model of the vibrational partition function. The mean-field is constructed from the sum of all the pair potentials between the reference atom and the others of the system. The calculated properties are in good agreement with available static and shock-wave experimental measurements.

Journal

Physical Review B – American Physical Society (APS)

Published: Nov 1, 2004

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