Effect of temperature on the evolution dynamics of voids in dynamic fracture of single crystal iron: a molecular dynamics study

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.

KEYWORDS:

• Void evolution
• single crystals
• extreme strain rate
• molecular dynamics
• iron

Disclosure statement

No potential conflict of interest was reported by the authors.

Data availability

The data required to reproduce these findings cannot be shared at this time since the data also form part of an ongoing study.