Data from: Kinetic Interplay between Chemical Short-Range Order and Grain Boundaries in NiCoCr Alloys under Irradiation

This repository presents atomic structure data generated from displacement cascade simulations across Single Crystal, Sigma 3, and Sigma 5 grain boundary environments, specifically analyzing the effects of Random Solid Solution (RSA) versus Chemical Short-Range Order (CSRO).

The uploaded dump files represent the system state after a minimization calculation was applied to the raw simulation snapshots.This minimization process serves as a critical post-processing step to suppress thermal noise, ensuring precise identification of point defects and structural changes within the cascade region.