范德瓦尔斯力
化学
范德瓦尔斯株
范德瓦尔斯曲面
范德瓦尔斯半径
镁
对应态定理
相互作用能
工作(物理)
表面能
期限(时间)
曲面(拓扑)
范德华方程
氧化物
偶极子
热力学
物理化学
物理
分子
量子力学
几何学
数学
有机化学
作者
George C. Benson,Anthony R. McIntosh
摘要
Calculations of the surface energy of an undistorted {100} face of crystalline magnesium oxide have been made. An exponential form of the repulsive energy term was used, and the van der Waals attractive energy between dipoles was included, as in the Born–Mayer treatment of cohesive energy. Comparison with earlier work is made, and it is shown that results are markedly dependent upon the form of the repulsive potential term, the inclusion of the van der Waals term, and, indeed, the choice of coefficients of the van der Waals term. This is not the case so far as the calculated cohesive energies are concerned. The results indicate that a Born–Mayer model may be inadequate in the case of magnesium oxide, and that caution must be exercised before accepting surface energies arrived at by such calculations.
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