Molecular dynamic simulation of uniaxial tension deformation applied to α-Fe nanowire

Abstract

In this study, using the Molecular Dynamics (MD) simulation method, the effects of the tensie stress applied to the Fe nano wire along the direction of [100] for different temperatures and strain rates were tried to be determined. The stress-strain curve, Young’ s modulus, yield stress and plastic deformation of the model system under tensile stress were investigated. The Embedded Atom Method (EAM), which includes many body interactions, was used to determine the interactions between atoms. It was determined that temperature and strain rate had an effect on the mechanical behaviour of α-Fe nanowire. It was found that the Young’ s modulus is independent of the strain rate at low temperatures, but decreases with increasing temperature. It was also determined that the flow strain decreased with increasing temperature and decreasing strain rate. The motion of dislocations and twinning corresponding to plastic deformation and the resulting reorientation of regional crystal structures were attempted to be determined by the method of Common Neighbour Analysis (CNA).

Keywords

• Nano wire
• Mechanical properties
• Molecular dynamics
• Strain rate

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