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Updated: Apr 5, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dynamics
1Sandia National Laboratories, Albuquerque, New Mexico 87185, USA.
Abstract:
We have conducted extremely long molecular dynamics simulations of glasses to microsecond times, which close the gap between experimental and atomistic simulation time scales by two to three orders of magnitude. Static, thermal, and structural properties of silica glass are reported for glass cooling rates down to 5×10(9) K/s and viscoelastic response in silica melts and glasses are studied over nine decades of time. We present results from relaxation of hydrostatic compressive stress in silica and show that time-temperature superposition holds in these systems for temperatures from 3500 to 1000 K.

