skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: EXPLORING THE STRUCTURE OF GLASS-FORMING LIQUIDS USING HIGH ENERGY X-RAY DIFFRACTION, CONTAINERLESS METHODOLOGY AND STATE-OF-THE-ART MOLECULAR DYNAMICS SIMULATION

Abstract

High energy X-ray diffraction can be combined with containerless techniques to provide information on the atomic arrangements in glass-forming liquids in stable and metastable regimes. The high incident energies provide bulk diffraction data to high values of scattering vector which enables significantly more robust analysis of the local and medium-range order that influences important physical properties such as viscosity and crystal nucleation. These combined techniques have been applied to a range of oxide liquids. In this contribution we illustrate addition of further dimensions to phase space by controlling the partial pressure of oxygen that permits the study liquids containing iron. The advantages of rapid data acquisition are also demonstrated in a study of tellurite glass-forming systems where a transition from ergodic to non-ergodic regimes in the deeply supercooled liquid is shown. Finally we demonstrate how descriptions of the liquid structure can be developed by combining HEXRD with molecular dynamics simulations.

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
Engineering and Physical Sciences Research Council (EPSRC)
OSTI Identifier:
1558783
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Conference
Resource Relation:
Conference: 2019 Symposium: Frontiers of Glass Science, 06/17/18 - 06/21/18, Foz do Iguacu, BR
Country of Publication:
United States
Language:
English
Subject:
containerless techniques; liquid structure; x-ray diffraction

Citation Formats

Wilding, Martin, Benmore, Chris, Weber, Rick, Alderman, Oliver, Tamalonis, Anthony, McMillan, Paul F., Wilson, Mark, Ribiero, Mauro C. C., and Parise, John. EXPLORING THE STRUCTURE OF GLASS-FORMING LIQUIDS USING HIGH ENERGY X-RAY DIFFRACTION, CONTAINERLESS METHODOLOGY AND STATE-OF-THE-ART MOLECULAR DYNAMICS SIMULATION. United States: N. p., 2019. Web. doi:10.1016/j.nocx.2019.100027.
Wilding, Martin, Benmore, Chris, Weber, Rick, Alderman, Oliver, Tamalonis, Anthony, McMillan, Paul F., Wilson, Mark, Ribiero, Mauro C. C., & Parise, John. EXPLORING THE STRUCTURE OF GLASS-FORMING LIQUIDS USING HIGH ENERGY X-RAY DIFFRACTION, CONTAINERLESS METHODOLOGY AND STATE-OF-THE-ART MOLECULAR DYNAMICS SIMULATION. United States. https://doi.org/10.1016/j.nocx.2019.100027
Wilding, Martin, Benmore, Chris, Weber, Rick, Alderman, Oliver, Tamalonis, Anthony, McMillan, Paul F., Wilson, Mark, Ribiero, Mauro C. C., and Parise, John. Sun . "EXPLORING THE STRUCTURE OF GLASS-FORMING LIQUIDS USING HIGH ENERGY X-RAY DIFFRACTION, CONTAINERLESS METHODOLOGY AND STATE-OF-THE-ART MOLECULAR DYNAMICS SIMULATION". United States. https://doi.org/10.1016/j.nocx.2019.100027. https://www.osti.gov/servlets/purl/1558783.
@article{osti_1558783,
title = {EXPLORING THE STRUCTURE OF GLASS-FORMING LIQUIDS USING HIGH ENERGY X-RAY DIFFRACTION, CONTAINERLESS METHODOLOGY AND STATE-OF-THE-ART MOLECULAR DYNAMICS SIMULATION},
author = {Wilding, Martin and Benmore, Chris and Weber, Rick and Alderman, Oliver and Tamalonis, Anthony and McMillan, Paul F. and Wilson, Mark and Ribiero, Mauro C. C. and Parise, John},
abstractNote = {High energy X-ray diffraction can be combined with containerless techniques to provide information on the atomic arrangements in glass-forming liquids in stable and metastable regimes. The high incident energies provide bulk diffraction data to high values of scattering vector which enables significantly more robust analysis of the local and medium-range order that influences important physical properties such as viscosity and crystal nucleation. These combined techniques have been applied to a range of oxide liquids. In this contribution we illustrate addition of further dimensions to phase space by controlling the partial pressure of oxygen that permits the study liquids containing iron. The advantages of rapid data acquisition are also demonstrated in a study of tellurite glass-forming systems where a transition from ergodic to non-ergodic regimes in the deeply supercooled liquid is shown. Finally we demonstrate how descriptions of the liquid structure can be developed by combining HEXRD with molecular dynamics simulations.},
doi = {10.1016/j.nocx.2019.100027},
url = {https://www.osti.gov/biblio/1558783}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {9}
}

Conference:
Other availability
Please see Document Availability for additional information on obtaining the full-text document. Library patrons may search WorldCat to identify libraries that hold this conference proceeding.

Save / Share: