Theoretical prediction and atomic kinetic Monte Carlo simulations of void superlattice self-organization under irradiation.

ABSTRACT: Nano-structured superlattices may have novel physical properties and irradiation is a powerful mean to drive their self-organization. However, the formation mechanism of superlattice under irradiation is still open for debate. Here we use atomic kinetic Monte Carlo simulations in conjunction with a theoretical analysis to understand and predict the self-organization of nano-void superlattices under irradiation, which have been observed in various types of materials for more than 40 years but yet to be well understood. The superlattice is found to be a result of spontaneous precipitation of voids from the matrix, a process similar to phase separation in regular solid solution, with the symmetry dictated by anisotropic materials properties such as one-dimensional interstitial atom diffusion.

SUBMITTER: Gao Y 

PROVIDER: S-EPMC5920090 | biostudies-literature | 2018 Apr

REPOSITORIES: biostudies-literature