Molecular dynamic simulation studies of glass formation and atomic-level structures in Pd-Ni alloy

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	Molecular dynamic simulation studies of glass formation and atomic-level structures in Pd-Ni alloy
	L. Qi; H. F. Zhang; Z. Q. Hu; P. K. Liaw
	2004
发表期刊	Physics Letters A
ISSN	0375-9601
卷号	327 期号:5-6 页码:506-511
摘要	Based on the embedded-atom method, a constant-pressure, constant-temperature (NPT) molecular dynamics (MD) technique is applied to obtain an atomic description of glass formation process in Pd-Ni alloy. By using radial distribution function (RDF) and pair analysis (PA) methods, the structure and glass forming ability of this alloy is studied by quenching from the liquid at different cooling rates (1 x 10(11) K/s, 5 x 10(11) K/s, 6 x 10(11) K/s and 1 x 10(13) K/s). It is observed that the retention of amorphous structure requires extremely high cooling rates. The critical cooling rate of amorphous structures is 6 x 10(11) K/s. Structure analyses of the alloy in the simulations reveal the evolvement of the different clusters at various quenching rates during the quenching process. (C) 2004 Elsevier B.V. All rights reserved.
部门归属	chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. univ tennessee, dept mat sci & engn, knoxville, tn 37996 usa.;zhang, hf (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, 72 wenhua rd, shenyang 110016, peoples r china;hfzhang@imr.ac.cn
关键词	Molecular Dynamics Glass Forming Ability Embedded-atom Method Fcc Metals Liquid Amorphization Cu Ag
URL	查看原文
WOS记录号	WOS:000222543700021
引用统计	被引频次：37[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/35514
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	L. Qi,H. F. Zhang,Z. Q. Hu,et al. Molecular dynamic simulation studies of glass formation and atomic-level structures in Pd-Ni alloy[J]. Physics Letters A,2004,327(5-6):506-511.
APA	L. Qi,H. F. Zhang,Z. Q. Hu,&P. K. Liaw.(2004).Molecular dynamic simulation studies of glass formation and atomic-level structures in Pd-Ni alloy.Physics Letters A,327(5-6),506-511.
MLA	L. Qi,et al."Molecular dynamic simulation studies of glass formation and atomic-level structures in Pd-Ni alloy".Physics Letters A 327.5-6(2004):506-511.