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Title: Study of interaction in silica glass via model potential approach

Abstract

Silica is one of the most commonly encountered substances in daily life and in electronics industry. Crystalline SiO{sub 2} (in several forms: quartz, cristobalite, tridymite) is an important constituent of many minerals and gemstones, both in pure form and mixed with related oxides. Cohesive energy of amorphous SiO{sub 2} has been investigated via intermolecular potentials i.e weak Van der Waals interaction and Morse type short-range interaction. We suggest a simple atom-atom based Van der Waals as well as Morse potential to find cohesive energy of glass. It has been found that the study of silica structure using two different model potentials is significantly different. Van der Waals potential is too weak (P.E =0.142eV/molecule) to describe the interaction between silica molecules. Morse potential is a strong potential, earlier given for intramolecular bonding, but if applied for intermolecular bonding, it gives a value of P.E (=−21.92eV/molecule) to appropriately describe the structure of silica.

Authors:
 [1];  [2]
  1. Department of Physics, Panjab University, Chandigarh-160014 (India)
  2. D.A.V. College, Sec-10, Chandigarh-160010 (India)
Publication Date:
OSTI Identifier:
22591369
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1728; Journal Issue: 1; Conference: ICC 2015: International conference on condensed matter and applied physics, Bikaner (India), 30-31 Oct 2015; Other Information: (c) 2016 Author(s); Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; AMORPHOUS STATE; ATOMS; CRISTOBALITE; GLASS; INTERACTION RANGE; INTERMOLECULAR FORCES; MOLECULES; MORSE POTENTIAL; QUARTZ; SILICA; SILICON OXIDES; VAN DER WAALS FORCES

Citation Formats

Mann, Sarita, and Rani, Pooja. Study of interaction in silica glass via model potential approach. United States: N. p., 2016. Web. doi:10.1063/1.4946287.
Mann, Sarita, & Rani, Pooja. Study of interaction in silica glass via model potential approach. United States. https://doi.org/10.1063/1.4946287
Mann, Sarita, and Rani, Pooja. 2016. "Study of interaction in silica glass via model potential approach". United States. https://doi.org/10.1063/1.4946287.
@article{osti_22591369,
title = {Study of interaction in silica glass via model potential approach},
author = {Mann, Sarita and Rani, Pooja},
abstractNote = {Silica is one of the most commonly encountered substances in daily life and in electronics industry. Crystalline SiO{sub 2} (in several forms: quartz, cristobalite, tridymite) is an important constituent of many minerals and gemstones, both in pure form and mixed with related oxides. Cohesive energy of amorphous SiO{sub 2} has been investigated via intermolecular potentials i.e weak Van der Waals interaction and Morse type short-range interaction. We suggest a simple atom-atom based Van der Waals as well as Morse potential to find cohesive energy of glass. It has been found that the study of silica structure using two different model potentials is significantly different. Van der Waals potential is too weak (P.E =0.142eV/molecule) to describe the interaction between silica molecules. Morse potential is a strong potential, earlier given for intramolecular bonding, but if applied for intermolecular bonding, it gives a value of P.E (=−21.92eV/molecule) to appropriately describe the structure of silica.},
doi = {10.1063/1.4946287},
url = {https://www.osti.gov/biblio/22591369}, journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1728,
place = {United States},
year = {Fri May 06 00:00:00 EDT 2016},
month = {Fri May 06 00:00:00 EDT 2016}
}