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- W3212812941 abstract "This paper uses the first principle calculation method based on density functional theory to analyze the mechanical and thermodynamic properties of β-CaSiO3 and α-CaSiO3 under different isostatic pressures. Based on the plane-wave pseudopotential method and the proton balance equation (PBE) in the generalized gradient approximation (GGA), the elastic constants, flexibility constants, bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio of two calcium silicate crystals under different pressures are calculated by using the exchange correlation function to judge the mechanical properties of calcium silicate, such as ductility, brittleness, hardness and plasticity. The results show that the Young’s modulus and rigidity are the largest under the pressure of 6Gpa and when the pressure is 10Gpa, the Poisson’s ratio is the largest, indicating that its plasticity is the best." @default.
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- W3212812941 date "2021-11-11" @default.
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- W3212812941 title "Thermodynamic, Mechanical and Electronic Structure Properties of Wollastonite with Different Crystal Forms" @default.
- W3212812941 doi "https://doi.org/10.23977/jmpd.2021.050116" @default.
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