Calculating the Bulk Modulus of Iron and Steel Using Equilibrium Molecular Dynamics Simulation

被引：15

作者：

Rajabpour, A. ^{[1
]}

Seidabadi, L. ^{[1
]}

Soltanpour, M. ^{[1
]}

机构：

[1] Imam Khomeini Int Univ, Dept Mech Engn, Qazvin, Iran

来源：

5TH INTERNATIONAL BIENNIAL CONFERENCE ON ULTRAFINE GRAINED AND NANOSTRUCTURED MATERIALS, UFGNSM15 | 2015年 / 11卷

关键词：

Bulk modulus; Molecular dynamics simulation; Potential function;

D O I：

10.1016/j.mspro.2015.11.005

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Bulk modulus as one of the important mechanical properties of pure Iron and Steel are calculated using molecular dynamics simulation method. The Iron slab consists of 500 Fe atoms and four different potential functions including two-body and threebody potentials are utilized to predict the bulk modulus for pure Iron. By placing carbon atoms between Fe atoms in a random configuration, we have also calculated the bulk modulus of Steel with 1% carbon concentration. We found that three-body potential functions can predict the bulk modulus of Iron and Steel in agreement with experimental data. All simulations were carried out using LAMMPS package. (C) 2015 Published by Elsevier Ltd.

引用

页码：391 / 396

页数：6

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