Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature

doi:10.3390/ma15010156

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	Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature
	He, Hong 1,2; Ma, Shangyi 2; Wang, Shaoqing 2
刊名	MATERIALS
	2022
卷号	15 期号:1 页码:14
关键词	grain boundary energy molecular dynamics body-centered cubic metals high temperature
DOI	10.3390/ma15010156
通讯作者	Wang, Shaoqing(sqwang@imr.ac.cn)
英文摘要	Heat treatment is a necessary means to obtain desired properties for most of the materials. Thus, the grain boundary (GB) phenomena observed in experiments actually reflect the GB behaviors at relatively high temperature to some extent. In this work, 405 different GBs were systematically constructed for body-centered cubic (BCC) metals and the grain boundary energies (GBEs) of these GBs were calculated with molecular dynamics for W at 2400 K and beta-Ti at 1300 K and by means of molecular statics for Mo and W at 0 K. It was found that high temperature may result in the GB complexion transitions for some GBs, such as the sigma 11{332}{332} of W. Moreover, the relationships between GBEs and sin(theta) can be described by the functions of the same type for different GB sets having the same misorientation axis, where theta is the angle between the misorientation axis and the GB plane. Generally, the GBs tend to have lower GBE when sin(theta) is equal to 0. However, the GB sets with the misorientation axis have the lowest GBE when sin(theta) is close to 1. Another discovery is that the local hexagonal-close packed alpha phase is more likely to form at the GBs with the lattice misorientations of 38.9 degrees/, 50.5 degrees/, 59.0 degrees/ and 60.0 degrees/ for beta-Ti at 1300 K.
资助项目	SYNL Basic Frontier & Technological Innovation Research Project[L2019R10] ; National Key R&D Program of China[2016YFB0701302] ; CAS Frontier Science Research Project[QYZDJ-SSW-JSC015]
WOS研究方向	Chemistry ; Materials Science ; Metallurgy & Metallurgical Engineering ; Physics
语种	英语
出版者	MDPI
WOS记录号	WOS:000751023400001
资助机构	SYNL Basic Frontier & Technological Innovation Research Project ; National Key R&D Program of China ; CAS Frontier Science Research Project
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/173554]
专题	金属研究所_中国科学院金属研究所
通讯作者	Wang, Shaoqing
作者单位	1.Univ Sci & Technol China, Sch Mat Sci & Engn, Shenyang 110016, Peoples R China 2.Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	He, Hong,Ma, Shangyi,Wang, Shaoqing. Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature[J]. MATERIALS,2022,15(1):14.
APA	He, Hong,Ma, Shangyi,&Wang, Shaoqing.(2022).Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature.MATERIALS,15(1),14.
MLA	He, Hong,et al."Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature".MATERIALS 15.1(2022):14.