The miscibility of copper halides using a three-body potential. I. CuClxBr1-x crystal

W Sekkal; A Laref; A Zaoui; H Aourag; M Certier

doi:10.1080/08927029908022117

Back

The miscibility of copper halides using a three-body potential. I. CuClxBr1-x crystal

Journal article

Peer reviewed

The miscibility of copper halides using a three-body potential. I. CuClxBr1-x crystal

W Sekkal, A Laref, A Zaoui, H Aourag and M Certier

Molecular simulation, Vol.23(2), pp.127-142

01/01/1999

DOI: https://doi.org/10.1080/08927029908022117

Abstract

Chemistry

Chemistry, Physical

Physical Sciences

Physics

Physics, Atomic, Molecular & Chemical

Science & Technology

Mixed CuClxBr1-x crystals are studied using a Tersoff potential. Structural and elastic properties of the solid solution are calculated and are in good agreement with experiments. Various thermodynamic quantities including thermal expansion coefficient, heal capacity, and Gruneisen coefficient are also predicted.

Metrics

1 Record Views

Details

Title: The miscibility of copper halides using a three-body potential. I. CuClxBr1-x crystal
Creators - without role: W Sekkal - University of Algiers Benyoucef Benkhedda
A Laref - University of Algiers Benyoucef Benkhedda
A Zaoui - Georgia Tech Lorraine
H Aourag - University of Algiers Benyoucef Benkhedda
M Certier - Georgia Tech Lorraine
Publication Details: Molecular simulation, Vol.23(2), pp.127-142
Publisher: Taylor & Francis
Number of pages: 16
Identifiers: 9952055008331
Academic Unit: King Saud University
Language: English
Resource Type: Journal article