Affiliation:
1. Laboratoire des Fluides Complexes et leurs Réservoirs- LFC-R, UMR-5150, Université de Pau et des Pays de 1'Adour, BP 1155, 64013 PAU Cedex, France
Abstract
Abstract
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.
Subject
Computers in Earth Sciences,Mechanics of Materials,Geotechnical Engineering and Engineering Geology,Civil and Structural Engineering