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Title: Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dyanmics

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. The static, thermal, and structural properties of silica glass are reported for glass cooling rates down to 5×109 K/s and viscoelastic response in silica melts and glasses are studied over nine decades of time. We finally 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.
Authors:
 [1]
  1. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Publication Date:
OSTI Identifier:
1235295
Report Number(s):
SAND--2015-7366J
Journal ID: ISSN 1539-3755; 603546
Grant/Contract Number:
AC04-94AL85000
Type:
Accepted Manuscript
Journal Name:
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print)
Additional Journal Information:
Journal Name: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics (Print); Journal Volume: 92; Journal Issue: 01; Journal ID: ISSN 1539-3755
Publisher:
American Physical Society (APS)
Research Org:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE