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Molecular dynamic simulation studies of glass formation and atomic-level structures in Pd-Ni alloy
Qi, L; Zhang, HF; Hu, ZQ; Liaw, PK
Corresponding AuthorZhang, HF(hfzhang@imr.ac.cn)
2004-07-12
Source PublicationPHYSICS LETTERS A
ISSN0375-9601
Volume327Issue:5-6Pages:506-511
AbstractBased 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.
Keywordmolecular dynamics glass forming ability embedded-atom method
DOI10.1016/j.physleta.2004.05.043
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
WOS IDWOS:000222543700021
PublisherELSEVIER SCIENCE BV
Citation statistics
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/81313
Corresponding AuthorZhang, HF
Affiliation1.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
Recommended Citation
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.
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