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The development of microstructure in a rapidly solidified Cu
Liu, J.; Zhao, J. Z.; Hu, Z. Q.
Corresponding AuthorZhao, J. Z.(jzzhao@imr.ac.cn)
2007-04-15
Source PublicationMATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING
ISSN0921-5093
Volume452Pages:103-109
AbstractMolecular dynamics simulations have been performed to study the rapid solidification processes of liquid Cu using different cooling rates ranging from 5 x 10(11) to 2 x 10(14) K/s. Based on the embedded-atom method (EAM), the time-temperature transformation (TTT) diagram is constructed. The critical cooling rate determined by the position of the nose of the diagram is suggested to be about 7 x 10(12) K/s. The radial distribution function (RDF) and the pair analysis (PA) results show that cooling the melt using a rate above the critical rate leads to a glass transition in the system. The glass transition temperature (T-g) increases with the increase of the cooling rate and can be well fitted by a Vogel-Fulcher-type function. There are large number of icosahedra and defect icosahedra in the glass system. They interact with each other and form large glass clusters during the cooling of the system. The size of the glass clusters grows rapidly until the liquid-solid transition temperature is reached. If the cooling rate is below the critical rate, crystallization happens. There are both fee and hcp microstructures in the crystal Cu. The size of the critical nucleus is about 300 atoms, corresponding to a radius of about 10.4 angstrom when the cooling rate is 5 x 10(11) K/s. A higher cooling rate causes a smaller critical size and a faster growth rate of the nucleus. (c) 2006 Elsevier B.V. All rights reserved.
Keywordmolecular dynamics simulation atomic cluster glass transition crystallization
DOI10.1016/j.msea.2006.10.117
Indexed BySCI
Language英语
WOS Research AreaScience & Technology - Other Topics ; Materials Science ; Metallurgy & Metallurgical Engineering
WOS SubjectNanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Metallurgy & Metallurgical Engineering
WOS IDWOS:000245639800015
PublisherELSEVIER SCIENCE SA
Citation statistics
Cited Times:22[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/89850
Collection中国科学院金属研究所
Corresponding AuthorZhao, J. Z.
AffiliationChinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China
Recommended Citation
GB/T 7714
Liu, J.,Zhao, J. Z.,Hu, Z. Q.. The development of microstructure in a rapidly solidified Cu[J]. MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING,2007,452:103-109.
APA Liu, J.,Zhao, J. Z.,&Hu, Z. Q..(2007).The development of microstructure in a rapidly solidified Cu.MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING,452,103-109.
MLA Liu, J.,et al."The development of microstructure in a rapidly solidified Cu".MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING 452(2007):103-109.
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