引用本文:
李辉, 边秀房, 李玉忱, 刘洪波, 陈魁英. 贵金属Au的液态结构分子动力学模拟[J]. 物理化学学报,
1998, 14(07): 630-634.
doi:
10.3866/PKU.WHXB19980711
Citation: Li Hui, Bian Xiu-Fang, Li Yu-Chen, Liu Hong-Bo, Chen Kui-Ying. The Molecular Dynamics Simulation of Liquid Noble Metal Au[J]. Acta Physico-Chimica Sinica, 1998, 14(07): 630-634. doi: 10.3866/PKU.WHXB19980711
Citation: Li Hui, Bian Xiu-Fang, Li Yu-Chen, Liu Hong-Bo, Chen Kui-Ying. The Molecular Dynamics Simulation of Liquid Noble Metal Au[J]. Acta Physico-Chimica Sinica, 1998, 14(07): 630-634. doi: 10.3866/PKU.WHXB19980711
贵金属Au的液态结构分子动力学模拟
English
The Molecular Dynamics Simulation of Liquid Noble Metal Au
Abstract:
By means of the molecular dynamics simulation technique , a series of simulationsof liquid Au have been performed over the temperature range of l573 K to 200 K. During the simulation process, the EAM potential has been adapted and the pair distribution f1lnction and structure configuration of atom have been obtained. Some simulation results have been discussed by the pair analysis technique.
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Key words:
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Molecular dynamics simulation
- / Liquid metals
- / Pair analysis
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