首页>
外文期刊>journal of chemical physics
>An empirical manyhyphen;body potentialhyphen;energy function for aluminum. Application to solid phases and microclusters
【24h】
An empirical manyhyphen;body potentialhyphen;energy function for aluminum. Application to solid phases and microclusters
展开▼
机译：An empirical manyhyphen;body potentialhyphen;energy function for aluminum. Application to solid phases and microclusters
An empirical twohyphen;plushyphen;threehyphen;body potential, developed by Murrell and cohyphen;workers lsqb;J. N. Murrell and R. A. Rodriguezhyphen;Ruiz, Mol. Phys.71, 823 (1990)rsqb;, is applied to the study of fcc aluminum. The parameters in the potential are derived by fitting the experimental phononhyphen;dispersion curves and elastic constants. Calculations, using this potential, on a number of onehyphen;, twohyphen; and threehyphen;dimensional extended systems give results which are in quantitative agreement with recentabinitiocalculations lsqb;I. J. Robertson, M. C. Payne, and V. Heine, Europhys. Lett.15, 301 (1991)rsqb;. Calculations on smallhyphen; and mediumhyphen;sized aluminum clusters give cluster geometries and growth patterns which agree qualitatively with previousabinitiomolecularhyphen;orbital and densityhyphen;functional studies.
展开▼
