Acessibilidade / Reportar erro

Two-body relationship between the Pearson-Takai-Halicioglu-Tiller and the Biswas-Hamann potential functions

An approximate and a good parametric relationship between the Pearson-Takai-Halicioglu-Tiller (PTHT) and the Biswas-Hamann (BH) empirical potential energy functions is developed for the case of 2-body interaction. The approximate relationship between PTHT and BH was obtained by equating the zeroth up to the second order of the potential functions' derivative with respect to the interatomic distance at the equilibrium bond length, followed by comparison of coefficients at the repulsive and attractive terms. A refined relationship was then suggested by including the third order derivative. Plots of non-dimensional 2-body energy versus the non-dimensional interatomic distance verified the analytical relationships developed herein. Finally, the physical significance of the developed parametric relationships is discussed with reference to conservative design methodology.


Sociedade Brasileira de Física Caixa Postal 66328, 05315-970 São Paulo SP - Brazil, Tel.: +55 11 3091-6922, Fax: (55 11) 3816-2063 - São Paulo - SP - Brazil
E-mail: sbfisica@sbfisica.org.br