Molecular Dynamics Simulation and Mechanical Properties Analysis of Ni-Fe Alloy under Uniaxial Stretching

Abstract

Based on Molecular Dynamics (MD), construct a crystallization model of Ni-Fe alloy and an amorphous model by simulating atomic deposition, stretch the models with the X axis and got the stress-strain curve. It is clearly observed that the maximum strain of the crystallization model is 0.25, and the maximum bearing stress is 450 MPa, it is fits perfectly with the objective reality data; the maximum strain of the amorphous model is about 0.3, and the maximum stress is 480 MPa, its ductility significantly higher than the crystallization model. In addition, by changing the temperature, it can be found easily that the maximum stress of the model is decreasing and the maximum strain is increasing. This indicates that under the influence of temperature, the hardness of the Ni-Fe alloy will decrease by 14%, while the ductility and toughness will increase by 7.7% with a temperature change of 150 K.

Keywords:

• Molecular dynamics simulations
• uniaxial stretching
• Ni-Fe alloy
• stress-strain curve

Additional information

Funding

The authors acknowledge National Natural Science Foundation of China (Grant Nos. 62075052 and 51672062), Natural Science Foundation of Heilongjiang Province (LH2019F022).