A systematic enumeration of local topological relaxation mechanisms in amorphous networks and their efficiency in network relaxation

Abstract

We consider the infinite hierarchy of local collective rearrangements on bond networks that preserves the valency of each atom and explicitly enumerate those involving 4, 5, and 6 particles. The only 4-particle rearrangement is identical to the Wooten-Winer-Weaire (WWW) mechanism. Each rearrangement mechanism is applied in a Monte Carlo (MC) algorithm in order to determine the rate at which it equilibrate a network and relax the structure at equilibrium. At low temperature the 4-particle mechanism provides the fastest relaxation rate but we find that there is a crossover with increasing temperature to 5-particle mechanisms.