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期刊论文

Cluster structure and dynamics of liqiuid aluminum under cooling conditions

边秀房Li Hiu a) Wang Guanghou Zhao Jijun Bian Xiufang

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摘要/描述

The thermal evolution and dynamics properties of small clusters in melt are investigated by molecular dynamics simulation with 500 particles. The interatomic ineraction is described by a well-fitted semiempirical tight binding potential. We have studied some solidlike clusters and structural properties of liquid aluminum. The atomic volume, internal energy, pair correlaion function, and bonded pairs in liqiud are obtained from quick cooling and slow cooling simulation. A comparison between the slow and quick cooling process reveals that the cooling rate significantly affects the evolution route of various clusters in liqiud aluminum. Our results show that glass contains a lot of 1551 and 1541 five-fold symmetry clusters. On the contrary, the crystal has some 1421 and 1422 clusters corresponding to a face-centered cubic structure and hexagonal closing-packedstructure. This work gives clear physical insight of the structure evolution form liquid to solid.

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【免责声明】以下全部内容由[边秀房]上传于[2005年03月03日 17时51分09秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。

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