纯<strong>Al <111></strong>对称倾斜晶界迁移行为温度相关性的分子动力学研究

纯Al <111>对称倾斜晶界迁移行为温度相关性的分子动力学研究

李海勇, 李赛毅

Effect of Temperature on Migration Behavior of <111> Symmetric Tilt Grain Boundaries in Pure Aluminum Based on Molecular Dynamics Simulations

LI Haiyong, LI Saiyi

表1 Al <111>对称倾斜晶界的晶体学信息和结构单元表征

Table 1 Crystallography and structural unit description of Al <111> STGBs

θ / (°)	Grain boundary plane	∑	Structural unit description
8.61	(11 $\bar{12}$ 1)₁/(12 $\bar{11}$ $\bar{1}$ )₂	133	\|9(A)B₁.9(A)B₁.9(A)B₁\|
10.42	(9 $\bar{10}$ 1)₁/(10 $\bar{9}$ $\bar{1}$ )₂	91	\|7(A)B₂.7(A)B₂.7(A)B₂\|
13.17	(7 $\bar{8}$ 1)₁/(8 $\bar{7}$ $\bar{1}$ )₂	57	\|5(A)B₁\|
17.90	(5 $\bar{6}$ 1)₁/(6 $\bar{5}$ $\bar{1}$ )₂	31	\|AAAB₁.AAAB₁.AAAB₁\|
21.79	(4 $\bar{5}$ 1)₁/(5 $\bar{4}$ $\bar{1}$ )₂	21	\|AAB₂\|
27.80	(3 $\bar{4}$ 1)₁/(4 $\bar{3}$ $\bar{1}$ )₂	13	\|AB₂.AB₂.AB₂\|
32.20	(5 $\bar{7}$ 2)₁/(7 $\bar{5}$ $\bar{2}$ )₂	39	\|AB₂B₂\|
38.21	(2 $\bar{3}$ 1)₁/(3 $\bar{2}$ $\bar{1}$ )₂	7	\|B₂.B₂.B₂\|
43.57	(5 $\bar{8}$ 3)₁/(8 $\bar{5}$ $\bar{3}$ )₂	49	\|B₂B₂C.B₂B₂C.B₂B₂C\|
46.83	(3 $\bar{5}$ 2)₁/(5 $\bar{3}$ $\bar{2}$ )₂	19	\|B₂C.B₂C.B₂C\|
50.57	(4 $\bar{7}$ 3)₁/(7 $\bar{4}$ $\bar{3}$ )₂	37	\|B₂CC.B₂CC.B₂CC\|
53.99	(6 $\bar{11}$ 5)₁/(11 $\bar{6}$ $\bar{5}$ )₂	91	\|B₂4(C).B₂4(C).B₂4(C)\|
60.00	(1 $\bar{2}$ 1)₁/(2 $\bar{1}$ $\bar{1}$ )₂	3	\|C\|