首页> 外文会议>International Conference on Superplasticity in Advanced Materials;ICSAM; 20060623-26;20060623-26; Chengdu(CN);Chengdu(CN) >First-principles calculations of grain boundary-surface for various grain boundaries with different energies in aluminum
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First-principles calculations of grain boundary-surface for various grain boundaries with different energies in aluminum

机译:铝中不同能量的不同晶界的晶界面第一性原理计算

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The grain boundary surface is the excess energy of the grain boundary as the lattice on one side of the grain is translated relative to the lattice on the other side of the grain. The maximum in the slope of the grain boundary surface determines the ideal shear strength for the grain boundary sliding. We presented the ideal shear strength for the grain boundary sliding in aluminum Σ3(112)[110] tilt grain boundary from the first-principles calculations. The ideal shear strength for the grain boundary sliding was much smaller than the ideal shear strength of a perfect single crystal.
机译:当晶粒一侧的晶格相对于晶粒另一侧的晶格平移时,晶界表面是晶界的多余能量。晶界表面的斜率的最大值确定了晶界滑动的理想剪切强度。通过第一性原理计算,我们给出了铝Σ3(112)[110]倾斜晶界中晶界滑动的理想剪切强度。晶界滑动的理想剪切强度远小于理想单晶的理想剪切强度。

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