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首页> 外文会议>Annual Meeting on Nuclear Technology; 20030520-20030522; Berlin; DE >MATERIALS FOR ITER - ATOMIC SCALE SIMULATIONS OF GRAIN BOUNDARY SLIDING AND MIGRATION IN COPPER
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MATERIALS FOR ITER - ATOMIC SCALE SIMULATIONS OF GRAIN BOUNDARY SLIDING AND MIGRATION IN COPPER

机译：铜晶粒边界滑动和迁移的原子尺度模拟材料。

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In summary, MC calculations are used in conjunction with EAM interatomic potential to study the sliding and migration of Σ 5 tilt GB in copper at both elevated and zero temperature. It has been found that the SA approach reduces the GB sliding energy barrier by about a factor of 2 but interface mobility is insensitive at the annealing temperature. This contrasts with our precious results for aluminium, where we found GB mobility sensitive at the temperature, mediated by atom at second layer. Several points stand out from these results. First, there is an important difference on the energy profile across the interface in copper and aluminium. The energy minimum for the atom at the second layer is crucial for the thermal dependency of GB migration. Second, and more significant, is that copper is more sensitive to the plastic deformation, even at zero temperature. However, low mechanical strength does not allow use pure copper in the presence of mechanical loads.
机译：总之，MC计算与EAM原子间势结合使用，以研究在高温和零温下Σ5倾斜GB在铜中的滑动和迁移。已经发现，SA方法将GB滑动能垒降低了大约2倍，但界面迁移率在退火温度下不敏感。这与我们对于铝的宝贵结果相反，在铝中，我们发现GB迁移率在温度下敏感，由第二层原子介导。从这些结果中可以看出几点。首先，铜和铝界面上的能量分布存在重要差异。第二层原子的最小能量对于GB迁移的热依赖性至关重要。其次，更重要的是，即使在零温度下，铜对塑性变形也更敏感。但是，低机械强度不允许在存在机械负载的情况下使用纯铜。

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