Thermally driven grain boundary migration and melting in Cu

被引：20

作者：

Li, Y. H. ^{[1
,2
]}

Wang, L. ^{[2
]}

Li, B. ^{[2
]}

E, J. C. ^{[2
]}

Zhao, F. P. ^{[2
]}

Zhu, J. ^{[1
]}

Luo, S. N. ^{[2
]}

机构：

[1] Sichuan Univ, Coll Phys Sci & Technol, Chengdu 610064, Sichuan, Peoples R China

[2] Peac Inst Multiscale Sci, Chengdu 610031, Sichuan, Peoples R China

来源：

JOURNAL OF CHEMICAL PHYSICS | 2015年 / 142卷 / 05期

关键词：

MOLECULAR-DYNAMICS; INCLINATION DEPENDENCE; TWIN BOUNDARIES; ENERGY; TILT; MOTION; SIMULATION; MODEL; CRYSTALLIZATION; TRANSITION;

D O I：

10.1063/1.4907272

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

With molecular dynamics simulations, we systematically investigate melting of a set of Sigma 3 < 110 > 70.53 degrees tilt grain boundaries (GB) in Cu bicrystals, including coherent twin boundaries (CTBs), 12 asymmetric tilt grain boundaries (ATGBs), and symmetric incoherent twin boundaries (SITBs), in the order of increasing length weight of SITB or GB energy. ATGBs decompose into CTBs and SITBs, which migrate and coalesce as a result of internal stress relaxation. GBs can be superheated or premelted, and GB melting temperature decreases exponentially with increasing SITB weight, owing to the systematics in GB microstructure. GB melting nucleates at disordered CTB-SITB junctions, and grows along SITBs and then into grain interiors, with the solid-liquid interfaces preferentially aligned with {111}. (C) 2015 AIP Publishing LLC.

引用

页数：11

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