Impact of grain boundary character on grain rotation

Impact of grain boundary character on grain rotation
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晶界特征对晶粒旋转的影响

DOI:
10.1016/j.actamat.2014.07.049
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发表时间:
2014
期刊:
影响因子:
9.4
通讯作者:
D. A. Molodov
D. A. Molodov
中科院分区:
材料科学1区
文献类型:
--
作者:
L. A. Barrales-Mora;J.-E. Brandenburg;D. A. Molodov

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采用分子动力学模拟方法研究了铝中具有不同晶界结构的孤立圆柱形晶粒的毛细收缩。研究了三对具有倾斜晶界<1 0 0>和混合倾斜-扭转晶界的晶粒,其取向差θ0分别为5.45°、16.26°和22.61°。模拟结果表明,具有纯倾斜晶界的晶粒的收缩伴随着它们向更大的取向差角旋转。相反,在收缩过程中,具有混合边界的晶粒没有明显的旋转。分析表明,对于所观察到的旋转行为,晶界结构是至关重要的。与由刃型位错组成的纯倾斜晶界相比,对于由具有混合刃螺旋特征的交叉位错组成的混合倾斜-扭转晶界,位错湮灭的有效机制是可用的,其允许相应的晶粒收缩而不旋转。
The capillarity-driven shrinkage of isolated cylindrical grains with structurally different grain boundaries in aluminum was studied by molecular dynamics simulations. Three pairs of grains with <1 0 0> tilt and mixed tilt–twist boundaries with the misorientation anglesθ0= 5.45°, 16.26° and 22.61° were examined. The simulation results showed that the shrinkage of grains with pure tilt boundaries was accompanied by their rotation towards higher misorientation angles. On the contrary, grains with the mixed boundaries did not rotate significantly during their shrinkage. An analysis revealed that for the observed rotational behavior the grain boundary structure is crucial. In contrast to pure tilt boundaries composed of edge dislocations, for mixed tilt–twist boundaries, which are composed of intersecting dislocations with the mixed edge–screw character, the effective mechanisms of dislocation annihilation are available, which allow the respective grains to shrink without rotation.
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