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

• Authors: Purvee Bhardwaj , Sadhna Singh
• Languages of publication: EN

Abstracts

EN

In 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. [...]

Keywords

EN

Oxides; High-pressure; Crystal structure; Mechanical properties; Phase

• Publisher: De Gruyter Open
• Journal: Open Chemistry
• Year: 2010
• Volume: 8
• Issue: 1
• Pages: 126-133

Dates

published

1 - 2 - 2010

online

16 - 2 - 2010

Contributors

author

Purvee Bhardwaj

• Department of Physics, Barkatullah University, Bhopal, 462026, India

author

Sadhna Singh

• Department of Physics, Barkatullah University, Bhopal, 462026, India

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Identifiers

DOI

10.2478/s11532-009-0117-9