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胡望宇

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期刊论文

Comparative study of microstructural evolution during melting and crystallization

胡望宇Shifang Xiao Wangyu Hu

THE JOURNAL OF CHEMICAL PHYSICS 125, 014503 (2006),-0001,():

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摘要/描述

Molecular dynamics simulations, with the interaction between atoms described by a modified analytic embedded atom method, have been performed to obtain the atomic-scale details of isothermal melting in nanocrystalline Ag and crystallization from supercooled liquid. The radial distribution function and common neighbor analysis provide a visible scenario of structural evolution in the process of phase transition. The results indicate that melting at a fixed temperature in nanocrystalline materials is a continuous process, which originates from the grain boundary network. With the melting developing, the characteristic bond pairs 555 , 433 , and 544 , existing in liquid or liquidlike phase, increase approximately linearly till completely melted. The crystallization from supercooled liquid is characterized by three characteristic stages: nucleation, rapid growth of nucleus, and slow structural relaxation. The homogeneous nucleation occurs at a larger supercooling temperature, which has an important effect on the process of crystallization and the subsequent crystalline texture. The kinetics of transition from liquid to solid is well described by the Johnson-Mehl-Avrami equation.

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【免责声明】以下全部内容由[胡望宇]上传于[2007年04月09日 16时44分32秒],版权归原创者所有。本文仅代表作者本人观点,与本网站无关。本网站对文中陈述、观点判断保持中立,不对所包含内容的准确性、可靠性或完整性提供任何明示或暗示的保证。请读者仅作参考,并请自行承担全部责任。

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