Face-centered cubic crystallization of atomistic configurations
Analysis of PDEs
2015-06-22 v1 Materials Science
Mathematical Physics
math.MP
Abstract
We address the question of whether three-dimensional crystals are minimizers of classical many-body energies. This problem is of conceptual relevance as it presents a significant milestone towards understanding, on the atomistic level, phenomena such as melting or plastic behavior. We characterize a set of rotation- and translation-invariant two- and three-body energies such that the energy minimum per particle over all n-particle configurations converges to the energy per particle in the face-centered cubic (fcc) lattice as tends to infinity. The proof involves a careful analysis of the symmetry properties of the fcc lattice.
Keywords
Cite
@article{arxiv.1407.0692,
title = {Face-centered cubic crystallization of atomistic configurations},
author = {Lisa Flatley and Florian Theil},
journal= {arXiv preprint arXiv:1407.0692},
year = {2015}
}