lattice binding 中文意思是什麼
lattice binding
解釋
點陣耦合-
Abstract : the effect of correction of self - consistent potential on electronic structure in simple cubic nanocrystal particles is calculated by means of the green ' s function method in the tight - binding approximation, taking only the nearest neighbor matrix elements into account. the numerical results show that the electronic energy spectrum is shifted, the chemical potential is not equal to the atomic energy level, the electronic density at each lattice point is changed, and the variation of electronic density at surface lattice point is the largest
文摘:在緊束縛近似下，只計及最近鄰的矩陣元，採用格林函數計算了自洽勢修正對簡立方納米晶體顆粒的電子結構的影響，發現電子能譜發生了移動，化學勢不等於格點原子能級，各格點的電子密度也發生了變化，其中以表面格點的電子密度變化最大。 -
Lattice binding cell constant defect distortion
晶格結合力晶胞晶格晶格常熟 -
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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