<abstract xmlns="http://www.w3.org/1999/xhtml"><p>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.</p><p>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.</p></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.

A Nanoscale Simulation Study of Elastic Properties of Gaspeite

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

Studia Geotechnica et Mechanica

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

{"article-title":"A Nanoscale Simulation Study of Elastic Properties of Gaspeite"}

The study of structural and mechanical properties of carbonate rock is an interesting subject in engineering and its different applications. In this paper, the...

A Nanoscale Simulation Study of Elastic Properties of Gaspeite

Published Online: Feb 28, 2015

Page range: 9 - 16

DOI: https://doi.org/10.2478/sgem-2014-0015

Keywords
carbonate rock, gaspeite, molecular dynamic, elastic properties, pressure effect

© 2014 Brahim-Khalil Benazzouz

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

A Nanoscale Simulation Study of Elastic Properties of Gaspeite

Published Online: Feb 28, 2015

Page range: 9 - 16

DOI: https://doi.org/10.2478/sgem-2014-0015

Keywordscarbonate rock, gaspeite, molecular dynamic, elastic properties, pressure effect

© 2014 Brahim-Khalil Benazzouz

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Keywords
carbonate rock, gaspeite, molecular dynamic, elastic properties, pressure effect