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Structure in binary liquid Li-Mg alloys
K. Y. Chen; Z. Q. Hu; H. B. Liu
1996
发表期刊Journal of Materials Science & Technology
ISSN1005-0302
卷号12期号:3页码:203-208
摘要Molecular dynamics simulations combining potentials mapping technique have been performed to investigate the structure of: binary liquid Li-Mg alloys at a constant temperature (924 K). Pair correlation function, bond orientational order and pair analysis approach are adopted to give geometrical descriptions on atom arrangement. The trends of splitting of second-peak in pair correlation function, the orientational order parameters and evolution of various symmetries of bonded pairs, etc., vs composition have been examined. The difference and concordance between the bond-orientational order and pair analysis have been first given out. Based on the distribution of attractive part of potentials, it is concluded that the attractive part would dominate the characterization of structure in liquid metals. In addition, icosahedra, defective icosahedra, Frank-Kasper polyhedra and Bernal hole polyhedra formed in liquid Li-Mg alloys are also counted.
部门归属harbin inst technol,harbin 150001,peoples r china.;chen, ky (reprint author), acad sinica,inst met res,natl key lab rsa,shenyang 110015,peoples r china
关键词Variational Thermodynamic Calculations Sd Metals Order
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文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/38255
专题中国科学院金属研究所
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K. Y. Chen,Z. Q. Hu,H. B. Liu. Structure in binary liquid Li-Mg alloys[J]. Journal of Materials Science & Technology,1996,12(3):203-208.
APA K. Y. Chen,Z. Q. Hu,&H. B. Liu.(1996).Structure in binary liquid Li-Mg alloys.Journal of Materials Science & Technology,12(3),203-208.
MLA K. Y. Chen,et al."Structure in binary liquid Li-Mg alloys".Journal of Materials Science & Technology 12.3(1996):203-208.
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