THERMAL-EXPANSION AND 3RD-ORDER ELASTIC-CONSTANTS OF FCC METALS

In this paper we develop the necessary expressions to evaluate third o rder elastic constants and temperature dependence of the thermal expan sion of FCC metals. For this we use a previously proposed interatomic potential that can be expressed as a sum of two and three body force i ndependent contributions. The very low temperature limit of the therma l expansion is also calculated using the continuum model. To do all th e numerical calculations we write several FORTRAN programs. The necess ary subroutines are grouped in several modules to allow maximum portab ility. We illustrate the usefulness of the programs by their applicati on to gold.