Engineering Mechanics

International Conference

Proceedings Vol. 20 (2014)


ENGINEERING MECHANICS 2014

20th INTERNATIONAL CONFERENCE
May 12 – 15, 2014, Svratka, Czech Republic
;
Editors: Vladimír Fuis

Copyright © 2014 Brno University of Technology Institute of Solid Mechanics, Mechatronics and Biomechanics

ISBN 978-80-214-4871-1 (printed)
ISSN 1805-8248 (printed)
ISSN 1805-8256 (electronic)

list of papers scientific commitee

THERMODYNAMICS PROPERTIES OF COPPER HALIDE ALLOY (CuBr0.5Cl0.5)
Parham E.
pages 495 - 498, full text

Ab initio density functional theory (DFT) has been used to investigate the thermal properties of the CuBr0.5Cl0.5 alloys over a wide range of temperature. Using the quasiharmonic approximation (QHA) for the some physical quantities of interest such as heat capacity at constant volume and entropy are calculated and discussed. The theoretical results show good agreement with the available experimental data for CuBr and CuCl. The present results show that symmetric and asymmetric structure of CuBr0.5Cl0.5 have a good agreement with the calculatingly value for heat capacity.


back to list of papers

Text and facts may be copied and used freely, but credit should be given to these Proceedings.

All papers were reviewed by members of the scientific committee.


imce   Powered by Imce 3.12  © 2019, Pavel Formánek, Institute of Thermomechanics AS CR, v.v.i. [generated: 0.0234s]