Structure and Energy of ⟨110⟩ Symmetric Tilt Boundaries in Polycrystalline Tungsten

被引：7
|
作者：
Stupak, M. E. [1 ]
Urazaliev, M. G. [1 ]
Popov, V. V. [1 ]
机构：
[1] Russian Acad Sci, Mikheev Inst Met Phys, Ural Branch, Ekaterinburg 620108, Russia
来源：
PHYSICS OF METALS AND METALLOGRAPHY | 2020年 / 121卷 / 08期
关键词：
grain boundaries; molecular statistics; atomistic simulation; GRAIN-BOUNDARIES; SEGREGATION; DIFFUSION; COPPER;
D O I：
10.1134/S0031918X20080116
中图分类号：
TF [冶金工业];
学科分类号：
0806 ;
摘要：
A computer simulation of the structure and energy of < 110 > symmetric tilt boundaries has been performed for polycrystalline tungsten. Calculations have been made using an embedded atom potential implemented in the LAMMPS software. It has been shown that structure of the < 110 > symmetric tilt boundaries can consist of a limited number of structural elements. The energy and width of grain boundaries for different misorientations, as well as energies of vacancy formation have been determined via molecular statistics simulation of grain boundaries. The correlation between the energy of vacancy formation in grain boundaries and changes in the boundary structure has been analyzed.
引用
收藏
页码：797 / 803
页数：7
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