Published Online: Feb 28, 2015
Page range: 9 - 16
DOI: https://doi.org/10.2478/sgem-2014-0015
Keywords
© 2014 Brahim-Khalil Benazzouz
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.
The study of structural and mechanical properties of carbonate rock is an interesting subject in engineering and its different applications. In this paper, the crystal structure of gaspeite (NiCO3) is investigated by carrying out molecular dynamics simulations based on energy minimization technique using an interatomic interaction potential.
At first, we focus on the structural properties of gaspeite mineral. And then, the elastic properties are calculated, including the elastic constants, bulk modulus, shear modulus, the S- and P-wave velocities. In the next part of this paper, the pressure effect will be studied on the structural and elastic properties of NiCO3 at high pressure.