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.

摘要

基于分子动力学（MD），通过模拟原子沉积构建Ni-Fe合金的结晶模型和非晶模型，将模型沿X轴拉伸，得到应力-应变曲线。可以清楚地观察到结晶模型的最大应变为0.25，最大承载应力为450 MPa，与客观实际数据吻合较好；非晶模型的最大应变约为0.3，最大应力为480 MPa，其延展性明显高于结晶模型。另外，通过改变温度，很容易发现模型的最大应力在减小，最大应变在增大。这表明在温度的影响下，Ni-Fe合金的硬度会降低14%，