ABSTRACT

We employ molecular dynamics simulations to investigate the role of temperature on the evolution dynamics of the voids in single crystal iron. We simulate isotropic tension in single crystal iron at a constant strain rate with temperature in the range of 300–1200 K. We find that the number of voids is highest at 1200 K in comparison to that at 300 K indicating high nucleation events at high temperatures. The growth rate of the voids is highest at 300 K in comparison to that at 1200 K, indicating rapid growth of the voids at 300 K. The overall void volume fraction is highest at 300 K. The nucleation and growth of the voids at 1200 K occur earlier in time in comparison to that at 300 K indicating the earlier damage of the material at 1200 K. The individual void volume fraction evolves with many discrete jumps due to the coalescence of the voids. The dislocation density is highest at 300 K in comparison to that at 1200 K.

抽象的

我们采用分子动力学模拟来研究温度对单晶铁中空隙演化动力学的作用。我们以恒定应变速率在300–1200 K的温度范围内模拟单晶铁的各向同性张力。我们发现，与300 K时相比，在1200 K时空洞数最高，这表明高温下的高成核现象。与1200 K相比，空洞的增长率最高，为300 K，表明空洞在300 K时迅速增长。总空洞体积分数在300 K时最高。空洞的成核和生长在1200 K时与300 K时相比，发生的时间更早，这表明材料在1200 K时更早地受到损坏。由于空隙的合并，单个空隙体积分数随许多离散跃迁而演化。