Mechanical and Thermodynamic Properties for Cubic BC<sub>3</sub> under High Pressure

CHANG Shaomei

doi:10.11858/gywlxb.20170640

Volume 32 Issue 2

Jan 2018

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Abstract

References

Chinese Journal of High Pressure Physics > 2018 > 32(2): 021101.

WU Peng, LI Rujiang, RUAN Guangguang, ZHOU Jie, LEI Wei, NIE Pengsong, SHI Junlei, YU Jinsheng, LI You, ZHAO Haiping. Effect of Impact Point Position on V-Shaped Reactive Armor Disturbing Jet[J]. Chinese Journal of High Pressure Physics, 2018, 32(1): 015105. doi: 10.11858/gywlxb.20170568

Citation:

CHANG Shaomei. Mechanical and Thermodynamic Properties for Cubic BC₃ under High Pressure[J]. Chinese Journal of High Pressure Physics, 2018, 32(2): 021101. doi: 10.11858/gywlxb.20170640

Citation:

CHANG Shaomei. Mechanical and Thermodynamic Properties for Cubic BC₃ under High Pressure[J]. Chinese Journal of High Pressure Physics, 2018, 32(2): 021101. doi: 10.11858/gywlxb.20170640

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Mechanical and Thermodynamic Properties for Cubic BC₃ under High Pressure

doi: 10.11858/gywlxb.20170640

CHANG Shaomei

College of Physics and Optoelectronic Technology, Baoji University of Arts and Sciences, Baoji 721016, China

Received Date: 14 Sep 2017
Rev Recd Date: 20 Sep 2017

Abstract

Abstract

The lattice constant and mechanical properties of cubic BC₃ under ambient and high pressure, including the elastic constants, the elastic modulus, and the mechanical anisotropy, were investigated using the first principle method in the framework of the density functional theory.The thermodynamic properties under high temperature and high pressure were calculated in terms of the quasi-harmonic Debye model.The results obtained show that the cubic BC₃ possesses a large elastic modulus and a high degree of anisotropy under ambient pressure.Under high pressure, the lattice constant, elastic constants, and elastic modulus of cubic BC₃ increase significantly.The results obtained from the thermodynamic calculations suggest that the cubic BC₃ has a large Debye temperature, and the molar heat capacity at constant volume and pressure exhibits obvious variation under high temperature and high pressure.Meanwhile, The Debye temperature of cubic BC₃ increases with the increase of pressure, but decreases with the increase of temperature.
- first principle,
- cubic BC₃,
- high pressure,
- mechanical properties,
- thermodynamic properties

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References(33)

References

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