EMPIRICAL ANGULAR-DEPENDENT POTENTIALS FOR INTERMETALLICS

This paper discusses recently developed interatomic potentials of the Embedded Defect type for several intermetallic phases, The potentials are semiempirical and very similar in nature to the Embedded Atom Meth od, They include an angular term that can be used to appropriately fit elastic constants of intermetallic phases even for negative values of the Cauchy pressure, The predicted phase stabilities and defect energ ies and structures obtained using these potentials are discussed, with special emphasis on the effects of the noncentral interaction term.