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Atomic simulation of amorphization and crystallization of Ni3Al during rapid solidification
H. B. Liu; K. Y. Chen; G. Y. An; Z. Q. Hu
1997
发表期刊Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties
ISSN0141-8637
卷号76期号:1页码:75-89
摘要By mean of the constant-temperature, constant-pressure molecular dynamics simulation technique, a series of simulations of the glass transition and crystallization processes of Ni3Al have been performed. The atoms interact via semiempirical tight-binding many-body potentials based on the second-moment approximation to the electronic density of states. The pair correlation function, pair analysis technique and chemical short-range order parameters are used to reveal the structural features of liquid, supercooled liquid and glass state of Ni3Al, and structural evolution during rapid solidification. The glass transition temperature and the critical cooling rate are determined.
部门归属harbin inst technol,sch mat sci & engn,harbin 150001,peoples r china.;liu, hb (reprint author), acad sinica,inst met res,state key lab rapid solidificat alloy,shenyang 110015,peoples r china
关键词Liquid Glass-transition Molecular-dynamics Orientational Order Metals Computer Potentials Alloys Phase
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文献类型期刊论文
条目标识符http://ir.imr.ac.cn/handle/321006/38015
专题中国科学院金属研究所
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H. B. Liu,K. Y. Chen,G. Y. An,et al. Atomic simulation of amorphization and crystallization of Ni3Al during rapid solidification[J]. Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties,1997,76(1):75-89.
APA H. B. Liu,K. Y. Chen,G. Y. An,&Z. Q. Hu.(1997).Atomic simulation of amorphization and crystallization of Ni3Al during rapid solidification.Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties,76(1),75-89.
MLA H. B. Liu,et al."Atomic simulation of amorphization and crystallization of Ni3Al during rapid solidification".Philosophical Magazine B-Physics of Condensed Matter Statistical Mechanics Electronic Optical and Magnetic Properties 76.1(1997):75-89.
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