Improvements to the Sink Strength Theory Used in Multi-Scale Rate Equation Simulations of Defects in Solids

The application of mean-field rate theory equations have proven to be a versatile method in simulating defect dynamics and temporal changes in the microstructure of materials. The reliability and usefulness of the method, however, depends critically on the defect interaction parameters used. In this...

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Bibliographic Details
Main Authors: Tommy Ahlgren, Kalle Heinola
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Materials
Subjects:
TDS
Online Access:https://www.mdpi.com/1996-1944/13/11/2621
Description
Summary:The application of mean-field rate theory equations have proven to be a versatile method in simulating defect dynamics and temporal changes in the microstructure of materials. The reliability and usefulness of the method, however, depends critically on the defect interaction parameters used. In this study, we show that the main interaction parameter, the sink strength, intrinsically depends on the detrapping, or the dissociation process itself. We present a theory on how to determine the appropriate sink strengths. The correct sink strength required for a detrapping defect, is considerably larger than the values commonly used, and thus should not be neglected.
ISSN:1996-1944