energy of formation of vacancy 中文意思是什麼
energy of formation of vacancy
解釋
空位形成能-
By examining the vacancy formation energy of three kinds of defect sno _ 2 ( 110 ) surface, the most energetically favorable defect surface is that the surface possesses the coexistence of bridging and in - plane oxygen vacancies, which is different with the traditional defect model by only removing bridging oxygen
通過考察形成三種不同類型sno _ 2 （ 110 ）缺陷表面的缺陷形成能，結果表明，形成同時具有橋氧和面氧缺陷的構型能量上最為有利，這與通常所認為的橋氧缺陷最為穩定不同。 -
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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