Atomistic simulations of TeO2-based glasses: interatomic potentials and molecular dynamics-Reference-Cited by-同舟云学术

Atomistic simulations of TeO2-based glasses: interatomic potentials and molecular dynamics

Published:2014 Issue:27 Volume:16 Page:14150-14160
ISSN:1463-9076
Container-title:Phys. Chem. Chem. Phys.
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gulenko Anastasia¹²³,Masson Olivier¹²³,Berghout Abid¹²³,Hamani David¹²³,Thomas Philippe¹²³

Affiliation:

1. Laboratoire Science des Procédés Céramiques et de Traitement de Surface (SPCTS) UMR 7315 CNRS – Université de Limoges

2. Centre Européen de la Céramique

3. 87068 Limoges Cedex, France

Abstract

This article derives the interatomic potential for the TeO₂ system and presents the first results of molecular dynamics simulations of the pure TeO₂ structure.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2014/CP/C4CP01273A

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5. Quantum Mechanical Study of Pre-Dissociation Enhancement of Linear and Nonlinear Polarizabilities of (TeO2)n Oligomers as a Key to Understanding the Remarkable Dielectric Properties of TeO2 Glasses

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