Parametric Relationships and Discrepancies Between the Linnett and the Buckingham Interatomic Potential Energy Functions

Teik-Cheng Lim

《Chinese Journal of Physics》 44卷1期 (2006/02) Pp. 19-27

並列摘要

The Buckingham and the Linnett interatomic potential energy functions are herein related by two approaches: (i) equity of slope, and (ii) equity of curvature at the equilibrium interatomic distance. Plots of the non-dimensionalized Buckingham and Linnett potential energy curves according to the first approach show their suitability for softer and harder bonds respectively, regardless of the bond strength. A comparative understanding of potential energy functions is useful for design purposes. For conservative design methodology, the Buckingham function is advisable when loading is prescribed, while the Linnett function is advisable when deformation is prescribed. The same potential function curves plotted ac- cording to the second approach show the reliability of the parametric relationship developed in this paper within the range 0.8＜(r/R)＜1.2. A plot of non-dimensional interatomic force versus non-dimensional interatomic distance shows that the error gap between the two potential functions is significantly narrowed when the parameters are related via the second approach as compared to the first approach.