migration of lattice vacancies 中文意思是什麼
migration of lattice vacancies
解釋
晶格空位徙動-
In the theoretical simulation on the behavior of single helium atom in aluminum, the varieties of energy data including the formation, migration, binding, and dissociation energies for single helium atom at the interstitial, vacancy, grain boundary, and dislocation sites in aluminum lattice were calculated, based on the density functional theories, general gradient approximation and pseudopotential plane wave method. results showed that the most fittable sites for containing helium atoms inside the cell are vacancies. but in the view of the whole lattice, grain boundaries are the best
計算結果表明，晶內he原子擇優佔位區是空位，而在整個晶體范圍，最有利於容納he原子的區域是晶界，位錯容納he原子的能力次於晶界和空位；在fcc -鋁的間隙位中， he原子優先充填四面體間隙位；晶內間隙he原子是可動的，通過間隙he原子的運動，可在晶內聚集，或被空位、晶界、位錯等缺陷束縛。
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