Modeling of the dislocation electroplastic effect in a single crystal using the molecular dynamics method

V. A. Bryzgalov, S. Dmitriev, E. Korznikova, Yu. V. Bebikhov
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Abstract

The electro-plastic effect is a decrease in the resistance of metal crystals to deformation under the influence of a high-density pulsed electric current. Applying this effect allows deformation processing of relatively brittle metals without a sharp increase in temperature while reducing the probability of temperature negatively affecting the material. The paper discusses the influence of the electro-plastic effect on the change in the deforming force and the dislocations dynamics for a two-dimensional single crystal model based on the molecular dynamics method using the Morse potential. The authors propose a model implementing the electro-plastic effect by increasing the total kinetic energy of the system not uniformly over the entire crystal volume but depending on the potential energy of atoms. It is accepted that as a result of the electric current pulse traveling, the atom’s kinetic energy increases proportionally to the third degree of their potential energy. Atoms near defects have higher potential energy; therefore, the temperature will grow to a greater extent in the areas of defects, increasing their mobility. The authors simulated the motion of dislocations under the influence of shear stresses and temperature, considering the electric current pulse effect on the system. The paper describes the dependence of yield strength on temperature without taking into account the electro-plastic effect and then with it. The authors plotted the graphs of the dependence of the system’s kinetic energy on the frequency and the power of current pulses. The study shows that the electro-plastic effect sharply reduces the yield strength of a crystal, increasing the temperature in the system. It is caused by the fact that, besides general heating, the system is subjected to local heating of atoms near defects, which facilitates their motion.
用分子动力学方法模拟单晶中位错电塑性效应
电塑性效应是指在高密度脉冲电流的影响下,金属晶体对变形的阻力降低。利用这一效应,可以在不急剧升高温度的情况下对相对脆性金属进行变形加工,同时降低温度对材料产生负面影响的可能性。本文利用莫尔斯势的分子动力学方法,讨论了电塑性效应对二维单晶模型变形力变化和位错动力学的影响。作者提出了一个实现电塑性效应的模型,通过增加系统的总动能而不是均匀地增加整个晶体体积,而是取决于原子的势能。人们普遍认为,由于电流脉冲的传播,原子的动能按其势能的三度成比例地增加。靠近缺陷的原子具有较高的势能;因此,缺陷区域的温度将在更大程度上增长,增加了它们的迁移率。在考虑电流脉冲效应的情况下,模拟了剪切应力和温度作用下的位错运动。本文叙述了在不考虑电塑性效应的情况下屈服强度随温度的变化规律。作者绘制了系统动能随电流脉冲频率和功率的关系图。研究表明,电塑性效应显著降低了晶体的屈服强度,提高了体系的温度。这是由于除了一般加热外,系统还受到缺陷附近原子的局部加热,这有利于它们的运动。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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