@inproceedings{8742197d38f94d599d77b676d99667c2,
title = "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.",
keywords = "Face-centred-cubic aluminum, First principle, Lindeman equation, Melting curve, Quasi-harmonic debye model, Thermodynamic",
author = "Lin Zhou and Zhang, {Qing Ming} and Ji, {Guang Fu} and Gong, {Zi Zheng}",
year = "2013",
doi = "10.4028/www.scientific.net/KEM.535-536.342",
language = "English",
isbn = "9783037855485",
series = "Key Engineering Materials",
publisher = "Trans Tech Publications Ltd.",
pages = "342--345",
booktitle = "Advances in Engineering Plasticity XI",
address = "Switzerland",
note = "11th Asia-Pacific Conference on Engineering Plasticity and Its Applications, AEPA 2012 ; Conference date: 05-12-2012 Through 07-12-2012",
}