First Principle Study for the Melting Properties of Face-Centred-Cubic Aluminum

Lin Zhou; Qing Ming Zhang; Guang Fu Ji; Zi Zheng Gong

doi:10.4028/www.scientific.net/KEM.535-536.342

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HomeKey Engineering MaterialsKey Engineering Materials Vols. 535-536First Principle Study for the Melting Properties...

First Principle Study for the Melting Properties of Face-Centred-Cubic Aluminum

Abstract:

Ab initio electronic structure optimization and total energy calculations for fcc aluminum are used to study the equation of state (EOS).Through fitting to quasi-harmonic Debye model, the thermodynamics properties of different temperatures are calculated. The melting curve at different pressures is presented based on Lindemann measures. The results show that the calculated EOS and the revised melting curve both are in a good agreement with the shock compression and the diamond-anvil-cell (DAC) data. The results illustrate that we can use simple static calculation method which takes less time to gain reasonable melting results. It can be used in the qualitative forecast for materials with difficult experiments.

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Key Engineering Materials (Volumes 535-536)

Pages:

342-345

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.535-536.342

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Online since:

January 2013

Authors:

Lin Zhou, Qing Ming Zhang, Guang Fu Ji, Zi Zheng Gong

Keywords:

Face-Centred-Cubic Aluminum, First-Principle, Lindeman Equation, Melting Curve, Quasi-Harmonic Debye Model, Thermodynamic

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References

[1] Pui K. Lam, Marvin L. Cohen: Physical Review B, Vol.24 (1981) No. 8, p.4224.

Google Scholar

[2] Raymond G. Greene, Huan Luo, Arthur L. Ruoff.: Physical Review Letters, Vol.73 (1994) No. 15, p.2075.

Google Scholar

[3] D. Alfè, L. Vočadlo, G. D. Price, et al.: Journal of Physics: Condensed Matter, Vol.16 (2004).pS973.

Google Scholar

[4] Hanstrom A, Lazor P: Journal of Alloys and Compounds, Vol.305 (2000) p.209.

Google Scholar

[5] Boehler R, Ross M: Earth and Planetary Science Letters, Vol 153 (1997) p.223.

Google Scholar

[6] Shaner J W, Brown J M, McQueen R G: High Pressure in Science and Technology: North Holland, (1984) p.137.

Google Scholar

[7] W. J. Nellis, J.A. Moriarty, et al.: Physical Review Letters, Vol.60 (1988) No.14 p.1414.

Google Scholar

[8] He D W, Zhao Y S,et al.: Journal of Applied Physics,Vol.95 (2004) No. 9 p.4645.

Google Scholar

[9] Syassen K, Holzapfel W B: Journal of Applied Physics, Vol.49 (1978) No.8 p.4427.

Google Scholar

[10] G V Sin'ko, N A Smirnov: Journal of Physics: Condensed Matter, Vol.14 (2002) p.6989

Google Scholar