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:
-
- 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}
}
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Works referencing / citing this record:
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Effects of system size and cooling rate on the structure and properties of sodium borosilicate glasses from molecular dynamics simulations
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The hydrophilic-to-hydrophobic transition in glassy silica is driven by the atomic topology of its surface
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