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Saraing

铁虫 (初入文坛)

[求助] lammps中倾侧晶界的建立的标准

例如建立sigma5(310)晶界时的程序为:
lattice fcc ${lastantAl} orient x  0  3  1 orient y  0 -1  3 orient z  1  0  0
create_atoms 1 region upper
region lower block INF INF -64.0361225 0.000000 INF INF units box
lattice fcc ${lastantAl} orient x  0  3 -1 orient y  0  1  3 orient z  1  0  0
create_atoms 2 region lower
group upper type 1
其中XYZ轴的轴向如何确定?
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jixiao0526

金虫 (小有名气)

sigma5(310)<001>晶界,选z 001 x 310 然后cross(z,x)=y 再把001 方向转到100 方向,我也在摸索,目前理解是这样的。
2楼2018-05-11 22:23:41
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