First-Principle-Based Calculations of the Hugoniot of Cu
XIANG Shi-Kai1, CAI Ling-Cang1, JING Fu-Qian1,WANG Shun-Jin2/sup>
1Laboratory for Shock Wave and Detonation Physics esearch, PO Box 919-102, Mianyang 621900
2College of Physical Science and Technology, Sichuan University, ichuan 610064
First-Principle-Based Calculations of the Hugoniot of Cu
1Laboratory for Shock Wave and Detonation Physics esearch, PO Box 919-102, Mianyang 621900
2College of Physical Science and Technology, Sichuan University, ichuan 610064
Abstract： The equation of state of face-centred-cubic (fcc) copper rystals at pressures up to 500GPa and relative volume to 0.55 ave been evaluated by using the full-potential linear muffin-tin rbital (FPLMTO) total-energy method combining with a mean-field odel of the vibrational partition function. The mean-field is onstructed from the sum of all the pair potentials between the eference atom and the others of the system. The alculated roperties are in good agreement with the available shock-wave xperimental measurements.
XIANG Shi-Kai;CAI Ling-Cang;JING Fu-Qian;WANG Shun-Jin/sup>. First-Principle-Based Calculations of the Hugoniot of Cu[J]. 中国物理快报, 2005, 22(2): 424-426.
XIANG Shi-Kai, CAI Ling-Cang, JING Fu-Qian, WANG Shun-Jin/sup>. First-Principle-Based Calculations of the Hugoniot of Cu. Chin. Phys. Lett., 2005, 22(2): 424-426.
2005, Vol. 22 
