A dynamical approach to the $\alpha$-$\beta$ displacive transition of quartz
Abstract
General features of the transition of quartz are investigated. Molecular dynamics methods are mainly used, an analytic treatment being deferred to a work in preparation. A basic preliminary observation is that the transition involves only a subsystem of four normal modes on which the remaining ones just act as a reservoir. The dynamics of the relevant subsystem turns out to be Hamiltonian, being governed by an effective potential that depends on the specific energy of the total system. The effective potential is actually calculated through time averages. It describes the transition as a pitchfork bifurcation, and also explains the phenomenon of the soft mode, since it exhibits a frequency that vanishes at the transition. The critical exponent too is estimated.
Keywords
Cite
@article{arxiv.2307.13411,
title = {A dynamical approach to the $\alpha$-$\beta$ displacive transition of quartz},
author = {Andrea Carati and Fabrizio Gangemi and Roberto Gangemi and Luigi Galgani},
journal= {arXiv preprint arXiv:2307.13411},
year = {2023}
}
Comments
14 pages, 4 figures