Atomistic simulations of grain boundary energies in tungsten

被引：17

作者：

Ratanaphan, Sutatch ^{[1
]}

Boonkird, Theerayut ^{[2
]}

Sarochawikasit, Rajchawit ^{[3
]}

Beladi, Hossein ^{[4
]}

Barmak, Katayun ^{[5
]}

Rohrer, Gregory S. ^{[6
]}

机构：

[1] King Mongkuts Univ Technol Thonburi, Dept Tool & Mat Engn, 126 Pracha Uthit Rd, Bangkok 10140, Thailand

[2] Royal Thai Naval Acad, 204 Sukhumvit Rd, Samut Prakan 10270, Thailand

[3] King Mongkuts Univ Technol Thonburi, Dept Comp Engn, 126 Pracha Uthit Rd, Bangkok 10140, Thailand

[4] Deakin Univ, Inst Frontier Mat, Geelong, Vic 3216, Australia

[5] Columbia Univ, Dept Appl Phys & Appl Math, 500 W 120th St, New York, NY 10027 USA

[6] Carnegie Mellon Univ, Dept Mat Sci & Engn, Pittsburgh, PA 15213 USA

来源：

MATERIALS LETTERS | 2017年 / 186卷

关键词：

Grain boundary structure; Grain boundary energy; Atomistic simulation; Nanocrystalline tungsten; CENTERED-CUBIC METALS; CHARACTER-DISTRIBUTION; DISTRIBUTIONS; MAGNESIA;

D O I：

10.1016/j.matlet.2016.09.104

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The energies of grain boundaries in tungsten were calculated using embedded atom method simulations. The energies of 408 boundaries with 80 different misorientations, and a range of different boundary plane orientations, were calculated. The boundary energy depended on the lattice misorientation and the plant orientation. A comparison between the calculated boundary energy and the measured boundary population nanocrystalline tungsten revealed that the boundary energy and population are inversely correlated. This inverse relationship reported here for this nanocrystalline metal is consistent with the Boltzmann-like distribution between grain boundary population and energy reported for metals and ceramics with microcrysta line grains.

引用

页码：116 / 118

页数：3

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