Molecular dynamics simulation of Al/Ni multilayered foils reveals a range of different reaction pathways depending on the temperature of the reaction. At the highest temperatures Fickian interdiffusion dominates the intermixing process. At intermediate temperatures Ni dissolution into the Al liquid becomes the dominant mechanism for intermixing prior to formation of the B2 intermetallic phase. At lower temperatures the B2 intermetallic forms early in the reaction process precluding both of these mechanisms. Interdiffusion and dissolution activation energies as well as diffusion prefactors are extracted from the simulations.
@article{arxiv.1305.6637,
title = {Interdiffusion of Ni-Al multilayers: a continuum and molecular dynamics study},
author = {Rong-Guang Xu and Michael L. Falk and Timothy P. Weihs},
journal= {arXiv preprint arXiv:1305.6637},
year = {2015}
}