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

Title: Compositional changes of the first sharp diffraction peak in binary selenide glasses

Abstract

No abstract prepared.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS); Univ. du Littoral; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
898696
DOE Contract Number:
DE-AC02-06CH11357
Resource Type:
Journal Article
Resource Relation:
Journal Name: Physical Review. B, Condensed Matter and Materials Physics; Journal Volume: 72; Journal Issue: 17
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; DIFFRACTION; SELENIDES; CHEMICAL COMPOSITION; METALLIC GLASSES; advanced photon source

Citation Formats

Bychkov, E., Benmore, C. J., and Price, D. L. Compositional changes of the first sharp diffraction peak in binary selenide glasses. United States: N. p., 2005. Web. doi:10.1103/PhysRevB.72.172107.
Bychkov, E., Benmore, C. J., & Price, D. L. Compositional changes of the first sharp diffraction peak in binary selenide glasses. United States. doi:10.1103/PhysRevB.72.172107.
Bychkov, E., Benmore, C. J., and Price, D. L. Tue . "Compositional changes of the first sharp diffraction peak in binary selenide glasses". United States. doi:10.1103/PhysRevB.72.172107.
@article{osti_898696,
title = {Compositional changes of the first sharp diffraction peak in binary selenide glasses},
author = {Bychkov, E. and Benmore, C. J. and Price, D. L.},
abstractNote = {No abstract prepared.},
doi = {10.1103/PhysRevB.72.172107},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 17,
volume = 72,
place = {United States},
year = {Tue Nov 01 00:00:00 EST 2005},
month = {Tue Nov 01 00:00:00 EST 2005}
}
  • Compositional changes of the first sharp diffraction peak (FSDP) in the measured structure factor have been studied for several binary selenide glasses using pulsed-neutron and high-energy x-ray diffraction techniques. The observed variations in the FSDP (factor of 10 in the amplitude and {approx_equal}0.5 A{sup -1} in the peak position) reflect multiple aspects in the glass network on both the short- and intermediate-range scales and are also correlated with macroscopic properties. An empirical relation has been discovered relating the compositional dependence of the FSDP position to the local coordination number of the guest atom.
  • The atomic structures of lithium, sodium and potassium silicate glasses spanning the glass formation range were studied using molecular dynamics simulations. The compositional dependence of the First Sharp Diffraction Peaks (FSDPs) and the contributions of partial structure factors to the FSDPs in these glasses were determined based on the calculated neutron static structure factors. The correlations of the FSDP with the short and medium range structure of these silicate glasses were examined. It is found that the position and the shape of FSDP strongly depend on the type and concentration of alkali oxide in alkali silicate glasses. The intermediate rangemore » order decreases with increasing alkali oxide concentration, as indicated by the decrease of the characteristic repeat distances and the characteristic correlation lengths. Lithium silicate glasses show anomaly in the characteristic correlation length, which increases with lithium oxide concentration. This anomaly is explained by the high field strength of lithium ions that increases the intermediate range order of the silicon oxygen network. The position and intensity of the FSDP are found to be mainly due to the structure features relating to the length range of 4-12 Å.« less
  • The source of the experimentally observed anomalous behavior of the First Sharp Diffraction Peak (FSDP) in lithium silicate glasses, as compared to silica and sodium silicate glasses, was determined using classical molecular dynamics simulations. Partial structure factors and swapping of the scattering length of lithium and sodium ions were used to determine the contributions to the FSDPs. The latter approach clearly establishes that the major difference of the FSDP between lithium and sodium disilicate glasses is due to the negative scattering length of lithium ions. Additionally, it was determined that the unusual intense FSDP in lithium silicate glass has littlemore » to do with differences of the medium range structure in these glasses.« less
  • The source of the experimentally observed anomalous behavior of the first sharp diffraction peak (FSDP) in lithium silicate glasses was determined using classical molecular dynamics simulations. Partial structure factors obtained from simulations were used to investigate the sensitivity of the total structure factor to the scattering length of alkali ions. The result clearly establishes that the major difference of the FSDP between lithium and sodium disilicate glasses is due to the negative scattering length of lithium ions. Additionally, it was determined that the unusual intense FSDP in lithium silicate glass has little to do with differences of the medium-range structuremore » in these glasses.« less