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

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Authors: Hyeonwoo Kim
Cited by: 0

Abstract

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.

Fields of Study & Subjects

Fusion materials and technologies High Entropy Alloys Studies Nuclear materials and radiation effects

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
30 January 2026
Document type
Dataset