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

doi:10.1016/j.physleta.2004.05.043

IMR OpenIR

	Molecular dynamic simulation studies of glass formation and atomic-level structures in Pd-Ni alloy
	Qi, L ; Zhang, HF ; Hu, ZQ ; Liaw, PK
通讯作者	Zhang, HF(hfzhang@imr.ac.cn)
	2004-07-12
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.
关键词	molecular dynamics glass forming ability embedded-atom method
DOI	10.1016/j.physleta.2004.05.043
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Multidisciplinary
WOS记录号	WOS:000222543700021
出版者	ELSEVIER SCIENCE BV
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/81313
通讯作者	Zhang, HF
作者单位	1.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China 2.Univ Tennessee, Dept Mat Sci & Engn, Knoxville, TN 37996 USA
推荐引用方式 GB/T 7714	Qi, L,Zhang, HF,Hu, ZQ,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	Qi, L,Zhang, HF,Hu, ZQ,&Liaw, PK.(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	Qi, L,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.