Patent ID: 6347284
Filing Date: 2002-02-12
Classification: G01N

Abstract:
A system for predicting at least one of an adhesion energy at an interface between dissimilar materials, and an adhesiveness, comprising:a first read-in unit for reading given compositions and crystal structures of the dissimilar materials; a second read-in unit for determining all of two like-atom and two unlike-atom interatomic interaction energy parameters on the dissimilar materials; the like-atom interatomic interaction energy parameters for given like atoms being provided from predetermined values in a look-up table, the unlike atom interatomic interaction energy parameters being determined as a function of: 1) sublimation energy &Dgr;, of each respective atom, 2) nearest-neighbor distance, re, for each respective atom, 3) an energy exponential decay parameter, &agr; for each respective atom, and 4) a reference crystal type derived from two selected reference atoms; approximating the unlike atom interatomic interaction energy for each respective atom by substituting known parameter of &Dgr;, re and &agr; for the selected reference atoms from known values thereof available in a look-up table; a third read-in unit for reading material interface atomic structure model information; a computation unit for calculating a material interface total energy relative to a distance between surfaces of the dissimilar materials on the basis of the sum of the two like-atom and two unlike-atom interatomic interaction energies; and an evaluation unit for evaluating the adhesion energy from the distribution of the calculated material interface total energy.