Sink strength calculations of dislocations and loops using OKMC

TL;DR

This paper uses Object Kinetic Monte Carlo to calculate sink strengths of dislocations and loops, comparing results with theoretical models, and demonstrates the method's effectiveness across various sink geometries and defect migration modes.

Contribution

It introduces a validated OKMC approach for accurately calculating sink strengths of different sink shapes and migration behaviors, confirming the theoretical master curve.

Findings

Good agreement with theory for low volume fractions

Fair agreement for dislocations with 1D migrating defects

Master curve for 3D to 1D transition is well reproduced

Abstract

We calculate the sink strength of dislocations and toroidal absorbers using Object Kinetic Monte Carlo and compare with the theoretical expressions. We get good agreement for dislocations and loop-shaped absorbers of 3D migrating defects, provided that the volume fraction is low, and fair agreements for dislocations with 1D migrating defects. The master curve for the 3D to 1D transition is well reproduced with loop-shaped absorbers and fairly well with dislocations. We conclude that, on the one hand, the master curve is correct for a wide range of sinks and that, on the other, OKMC techniques inherently take correctly into account the strengths of sinks of any shape, provided that an effective way of appropriately inserting the sinks to be studied can be found.