Role of temperature in the numerical analysis of CaO under high pressure-Reference-Cited by-同舟云学术

Role of temperature in the numerical analysis of CaO under high pressure

Published:2010-02-01 Issue:1 Volume:8 Page:126-133
ISSN:2391-5420
Container-title:Open Chemistry
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Author:

Bhardwaj Purvee¹,Singh Sadhna¹

Affiliation:

1. 1Department of Physics, Barkatullah University, Bhopal, 462026, India

Abstract

AbstractIn this paper we focus on the elastic and thermodynamic properties of the B1 phase of CaO by using the modified TBP model, including the role of temperature. We have successfully obtained the phase transition pressure and volume change at different temperatures. In addition elastic constants and bulk modulus of B1 phase of CaO at different temperatures are discussed. Our results are comparable with the previous ones at high temperatures and pressures. The thermodynamical properties of the B1 phase of CaO are also predicted.

Publisher

Walter de Gruyter GmbH

Subject

Materials Chemistry,General Chemistry

Link

http://link.springer.com/content/pdf/10.2478/s11532-009-0117-9.pdf

Reference40 articles.

1. http dx org;Karki;Geophys Res,1998

2. http dx org;Tosi;Phys Chem Solids,1962

3. http dx org;Oda;Phys Chem Miner,1992

4. http dx org;Kalpana;Phys Rev B,1995

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