First-Principle-Based Calculations of the Hugoniot of Cu

Chin. Phys. Lett.

2005, Vol. 22

Issue (2): 424-426 DOI:

Original Articles

First-Principle-Based Calculations of the Hugoniot of Cu

XIANG Shi-Kai¹;CAI Ling-Cang¹;JING Fu-Qian¹,WANG Shun-Jin^2/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

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XIANG Shi-Kai, CAI Ling-Cang, JING Fu-Qian et al 2005 Chin. Phys. Lett. 22 424-426

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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.

Keywords: 63.20.Ry 64.30.+t 62.50.+p 31.15.Ar

Published: 01 February 2005

PACS:	63.20.Ry	(Anharmonic lattice modes)
	64.30.+t
	62.50.+p
	31.15.Ar

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y2005/V22/I2/0424

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