FeC合金拉伸行为的分子动力学模拟研究

Molecular dynamics simulation study on the tensile behavior of FeC alloy

为了探究温度和应变率对FeC合金微观力学性能的影响,运用分子动力学方法对FeC合金进行了拉伸性能的模拟,得到了不同温度、不同应变率工况下FeC合金的应力应变曲线,并对其进行了分析,利用MATLAB对数据进行处理,建立了关于温度和应变率的FeC合金弹性模量和屈服强度的数学预测模型。结果表明:弹性模量和屈服强度的仿真值与数学模型的预测值之间的绝对误差最大分别为2.680 GPa和0.079 GPa,相对误差最大分别为1.680%和0.737%,数学预测模型能在一定程度上对弹性模量和屈服强度进行有效的预测。

In order to investigate the effects of temperature and strain rate on the micro-mechanical properties of FeC alloys,molecular dynamics methods were used to simulate the tensile properties of FeC alloys.The stress-strain curves of FeC alloys at different temperatures and strain rates were obtained and analyzed,and the data was processed using MATLAB.A mathematical model was established to predict the elastic modulus and yield strength of FeC alloys calculated on the basis of temperature and strain rate.The results show that the maximum absolute errors between the simulation and the prediction values by the mathematical model of elastic modulus and yield strength are 2.680 GPa and0.079 GPa,respectively.The maximum relative errors are 1.680%and 0.737%,respectively.The mathematical prediction model can effectively predict the elastic modulus and yield strength to a certain extent.