Monte Carlo simulation, in conjunction with glue-type empirical many-body p
otentials, has been used to model the structure of (111) and (100) Pb/Al in
terfaces as well as calculate their interfacial free energy. Vibrational co
ntributions to the free energy were accounted for within the framework of t
he local harmonic approximation, and configurational free energy was descri
bed on the basis of a point approximation for the entropy of mixing. The ca
lculated free energy ratios for the Pb/Al (100) and {111} interfaces are in
good agreement with recent high resolution transmission electron microscop
y measurements performed in the range 500 K < T < 600 K. The simulations in
dicate a strong temperature dependence of the free energy ratios, from 1.10
at T = 500 K to 1.31 at T = 0 K. Comparison of the present results with pr
evious calculations of the anisotropy of surface energy of pure Pb shows th
at the glue potential correctly reflects the large change in anisotropy whi
ch is observed experimentally between isolated Pb crystals and Pb crystals
embedded in Al. (C) 2000 Acta Metallurgica Inc. Published by Elsevier Scien
ce Ltd. All rights reserved.