Article : [TRIAC083]

Info : REPONSE 65, le 05/02/2002.

Titre : Elasticity, thermal properties, and molecular dynamics using non-empirical tight-binding.

Cité dans : [DIV333]  Recherche sur les mots clés thermal + shock + liquid , février 2002.

Meeting : Proceedings of the 1997 MRS Fall Symposium.
Location : Boston, MA, USA
Date : 01 Dec 1997-03 Dec 1997

Meeting : Proceedings of the 1997 MRS Fall Symposium.

Info : organization : MRS
Location : Boston, MA, USA
Date : 01 Dec 1997-03 Dec 1997

Source : Tight-Binding Approach to Computational Materials Science Materials
Research Society Symposium Proceedings v 491 1998.MRS, Warrendale, PA,
USA.p 501-506
CODEN : MRSPDH
ISSN : 0272-9172
Année : 1998
Meeting_Number : 48274
Document_Type : Conference Article
Treatment_Code : Theoretical; Experimental
Language : English
Stockage :

Abstract :
We have further developed and applied a new non-empirical
tight-binding total energy model to properties of Si, Xe, and Fe at high
pressures. We have studied elasticity of various phases of each of these,
demonstrating that the new model is applicable to a wide range of
materials, including semiconductors, rare gases, and transition metals. We
have used the particle-in-a-cell method to study the thermal equation of
state of hcp Fe and find excellent agreement with the shock equation of
state. A molecular dynamics code has been developed based on this method,
and we have studied the properties of Fe liquid at high pressures.(Author
abstract) 15 Refs.

Accession_Number : 1998(28):3841 COMPENDEX
via

Mise à jour le lundi 10 avril 2023 à 19 h 05 - E-mail : thierry.lequeu@gmail.com
Cette page a été produite par le programme TXT2HTM.EXE, version 10.7.3 du 27 décembre 2018.

Copyright 2023 :

Les informations contenues dans cette page sont à usage strict de Thierry LEQUEU et ne doivent être utilisées ou copiées par un tiers.
Powered by www.google.fr, www.e-kart.fr, l'atelier d'Aurélie - Coiffure mixte et barbier, La Boutique Kit Elec Shop and www.lequeu.fr.