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  1. 1 2010

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  1. 1 Bhardwaj P.

  2. 1 Singh S.

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

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Bhardwaj P., Singh S.
Open Chemistry
|
2010
|
vol. 8
|
issue 1
126-133
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. [...]
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