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Grain misorientation and grain-boundary rotation dependent mechanical properties in polycrystalline graphene

机译:多晶石墨烯中晶粒取向不良和晶界旋转相关的力学性能

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In two-dimensional polycrystalline graphene,two angular degrees of freedom (DOF) areneeded to define a general grain boundary (GB):the misorientation of two grains and the rotationof the boundary line.Via both molecular dynamics simulations and theoretical analysis,we see that the density of GB defects strongly depends on grain misorientation but is insensitiveto GB rotation.And reveal the dependence of mechanical properties on grain misorientation andGB rotation in polycrystalline graphene.We find that the dependence of GB normal strengthon grain misorientation and GB rotation in graphene stems from the superposition of the stressfield induced by a pentagon-heptagon pair itself to that from the interaction between the otherdefects and the one under consideration.
机译:在二维多晶石墨烯中,需要两个自由角(DOF)来定义一般的晶界(GB):两个晶粒的取向错误和边界线的旋转。通过分子动力学模拟和理论分析,我们看到GB缺陷的密度强烈依赖于晶粒取向不良,但对GB旋转不敏感,揭示了力学性能对多晶石墨烯中晶粒取向和GB旋转的依赖性。五边形-七边形对自身引起的应力场与其他缺陷和所考虑的缺陷之间的相互作用引起的应力场的叠加。

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