next up previous contents index
Next: Usage Up: Module IPModel_EAM_ErcolAd_module Previous: Module IPModel_EAM_ErcolAd_module   Contents   Index

Purpose

Module for the Embedded Atom Potential of Liu, Ercolessi, Adams. (Ref. Liu, Ercolessi, Adams, Modelling Simul. Mater. Sci. Eng. 12, 665-670, (2004)). In this potential no analytic function is assumed for the actractive and repulsive terms. Each function is described as a set of points, whose values are the IP parameters. A cubic spline function is then used for interpolation between those points. The IPModel_EAM_ErcolAd object contains all the parameters (the grid points) read from an EAM_ErcolAd_params XML stanza.

gabor 2009-06-30