Effect of local structures on structural evolution during crystallization in undercooled metallic glass-forming liquids

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	Effect of local structures on structural evolution during crystallization in undercooled metallic glass-forming liquids
	Wu, ZW ; Li, MZ ; Wang, WH ; Song, WJ ; Liu, KX
刊名	JOURNAL OF CHEMICAL PHYSICS
	2013
卷号	138 期号:7
ISSN号	0021-9606
通讯作者	Wu, ZW (reprint author), Peking Univ, State Key Lab Turbulence & Complex Syst, Beijing 100871, Peoples R China.
中文摘要	The effect of local structures on structural evolution during the crystallization of undercooled ZrCu metallic glass-forming liquid was studied via molecular dynamics simulations. It is found that body-centered-cubic (bcc)-like clusters play a key role in structural evolution during crystallization. In contrast to previous speculations, the number of bcc-like crystal nuclei does not change much before the onset of crystallization. Instead, the development of a bcc-like critical nucleus during annealing leads to a strong spatial correlation with other nuclei in its surroundings, forming a crystalline structure template. It is also found that the size distribution of bcc-like nuclei follows a power-law form with an exponential cutoff in the early stage of annealing, but changes to a pure power-law behavior just before the onset of crystallization. This implies that the crystalline structure template has fractal feature and the undercooled liquids evolve to a self-organized critical state before the onset of crystallization, which might trigger the subsequent rapid crystallization. According to the graph theory analysis, it is also found that the observed large scatter of the onset time of crystallization in different liquid samples results from the connectivity of the bcc-like clusters. (C) 2013 American Institute of Physics. [http://dx.doi.org/10.1063/1.4792067]
资助信息	NSF of China [10972010, 51071174, 51271197, 50921091, 11028206]; NCET; Fundamental Research Funds for the Central Universities; Research Funds of Renmin University of China [10XNJ002]
语种	英语
公开日期	2014-01-16
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/56919]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Wu, ZW,Li, MZ,Wang, WH,et al. Effect of local structures on structural evolution during crystallization in undercooled metallic glass-forming liquids[J]. JOURNAL OF CHEMICAL PHYSICS,2013,138(7).
APA	Wu, ZW,Li, MZ,Wang, WH,Song, WJ,&Liu, KX.(2013).Effect of local structures on structural evolution during crystallization in undercooled metallic glass-forming liquids.JOURNAL OF CHEMICAL PHYSICS,138(7).
MLA	Wu, ZW,et al."Effect of local structures on structural evolution during crystallization in undercooled metallic glass-forming liquids".JOURNAL OF CHEMICAL PHYSICS 138.7(2013).