Molecular dynamics simulation of a model for (one-dimensional) structural phase transitions

Abstract

Molecular dynamics computer simulations have been carried out for a structurally unstable 1-D lattice, having a double well local potential and nearest neighbor coupling. The results show pronounced domain structure at low temperature - a feature not to be found in mean field or anharmonic phonon perturbation theories. Quantitative comparison is made with the analysis of Krumhansl and Schrieffer, which predicts this behavior. © 1975.