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Investigation of the Effect of Pressure and Cooling Rate on the Local Order for Cu and Ni Metallic Systems: A Molecular Dynamics Simulation

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In this study, the orientational order of two important transition metals, nickel and copper, are simulated by using a molecular dynamics (MD) simulation with a semi-empirical potential energy function based… Click to show full abstract

In this study, the orientational order of two important transition metals, nickel and copper, are simulated by using a molecular dynamics (MD) simulation with a semi-empirical potential energy function based on the embedded atom model for systems. The local order of atomic structures is investigated by using bond order parameters at slow and fast cooling rates during the crystallization process. In addition, the radial distribution function (RDF) is calculated to determine the structural properties of the systems. All these physical parameters are analysed under 0 and 5 GPa pressures.

Keywords: order; molecular dynamics; local order; investigation effect; dynamics simulation

Journal Title: Journal of the Korean Physical Society
Year Published: 2020

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