Using plane wave {\textit{ab-initio}} and Monte Carlo techniques, the Ni/Ni3Al interfacial energy is studied and the results from the different techniques are critically compared. Two issues deserved special attention: the dependency of the interface energy with the supercell size, for the {\textit{ab-initio}} calculations, and the temperature dependence of the interface energy. The calculations show that from 0K up to 1000 K that energy decreases by 1 mJ/m2.
@article{arxiv.1402.1615,
title = {Energy of Ni/Ni$_{3}$Al Interface: a Temperature-Dependent Theoretical Study},
author = {A. S. Martins and M. F. de Campos},
journal= {arXiv preprint arXiv:1402.1615},
year = {2014}
}