Elastic Properties of CaSiO3 Perovskite from ab initio Molecular Dynamics
Ab initio molecular dynamics simulations were performed to investigate the elasticity of cubic CaSiO3 perovskite at high pressure and temperature. All three independent elastic constants for cubic CaSiO3 perovskite, C11, C12, and C44, were calculated from the computation of stress generated by small...
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| Format: | Article |
| Language: | English |
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MDPI AG
2013-10-01
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| Series: | Entropy |
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| Online Access: | http://www.mdpi.com/1099-4300/15/10/4300 |