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

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. 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:
Research Org.:
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1235295
Alternate Identifier(s):
OSTI ID: 1198729
Report Number(s):
SAND-2015-7366J
Journal ID: ISSN 1539-3755; 603546
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
Additional Journal Information:
Journal Volume: 92; Journal Issue: 01; Journal ID: ISSN 1539-3755
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Lane, J. Matthew D. Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dyanmics. United States: N. p., 2015. Web. doi:10.1103/PhysRevE.92.012320.
Lane, J. Matthew D. Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dyanmics. United States. https://doi.org/10.1103/PhysRevE.92.012320
Lane, J. Matthew D. 2015. "Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dyanmics". United States. https://doi.org/10.1103/PhysRevE.92.012320. https://www.osti.gov/servlets/purl/1235295.
@article{osti_1235295,
title = {Cooling rate and stress relaxation in silica melts and glasses via microsecond molecular dyanmics},
author = {Lane, J. Matthew D.},
abstractNote = {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.},
doi = {10.1103/PhysRevE.92.012320},
url = {https://www.osti.gov/biblio/1235295}, journal = {Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics},
issn = {1539-3755},
number = 01,
volume = 92,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2015},
month = {Wed Jul 22 00:00:00 EDT 2015}
}

Journal Article:

Citation Metrics:
Cited by: 66 works
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Works referenced in this record:

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Works referencing / citing this record:

Cooling rate effects in sodium silicate glasses: Bridging the gap between molecular dynamics simulations and experiments
journal, August 2017


The hydrophilic-to-hydrophobic transition in glassy silica is driven by the atomic topology of its surface
journal, February 2018


Atomic picture of structural relaxation in silicate glasses
journal, June 2019


An efficient computational procedure to obtain a more stable glass structure
journal, December 2019


A mathematical model for fitting and predicting relaxation modulus and simulating viscoelastic responses
journal, May 2018


Atomistic insights into the impact of charge balancing cations on the structure and properties of aluminosilicate glasses
journal, October 2019


Irradiation-driven amorphous-to-glassy transition in quartz: The crucial role of the medium-range order in crystallization
journal, October 2017


Correlation between IR peak position and bond parameter of silica glass: Molecular dynamics study on fictive temperature (cooling rate) effect
journal, June 2018


Development of boron oxide potentials for computer simulations of multicomponent oxide glasses
journal, October 2018