The Calculation of P-T Diagrams of Al Using Molecular Dynamic Simulation

In this work, molecular dynamic (MD) simulations are performed for Al based on the embedded atom method (EAM). P-T diagrams are determined, the bulk moduli, the radial distribution functions, are also calculated. The computed thermodynamic parameters are found, generally, to be in good agreement wit...

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Bibliographic Details
Main Authors: Ciftci, Y O, Ugurluoglu, N, Colakoglu, K, Demircioglu, Z
Format: Conference Proceeding
Language:English
Online Access:Get full text
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Summary:In this work, molecular dynamic (MD) simulations are performed for Al based on the embedded atom method (EAM). P-T diagrams are determined, the bulk moduli, the radial distribution functions, are also calculated. The computed thermodynamic parameters are found, generally, to be in good agreement with the available experimental data.
ISSN:0094-243X
DOI:10.1063/1.2733331