Modeling Microstructure and Irradiation Effects

Abstract

This article gives an overview of the strategy followed nowadays to model the evolution of metallic alloy microstructures under irradiation. For this purpose, multiscale approaches are very often used, which rely on modeling techniques appropriate to each time and space scale. The main methods used are ab-initio calculations, classical molecular dynamics (MD), kinetic Monte Carlo (KMC), mean field rate theory (MFRT), and dislocation dynamics (DD). These methods are briefly presented along with some of their typical uses and main drawbacks. Some examples are provided of the typical information obtained with each of the techniques.

An Improved Cluster Dynamics Model for Hydrogen Retention in Tungsten

“…14,15 Particularly, for the long-term kinetic evolution of defects, kinetic Monte Carlo (KMC) 16,17 and cluster dynamics (CD) model 4,18À20 are commonly used. On one hand, KMC model can account for the spatial and temporal correlations, but it is limited to small volumes ($ m), low irradiation dose (typically much less than 1 dpa) and small time scales.…”

Introduction

“…The KMC has been extensively used to study chemistry, 24 thermal properties, 25 surface growth, 26 or microstructure evolution under irradiation. [27][28][29][30][31][32][33][34][35][36] Different subclasses of algorithms have been developed depending on the specific processes that are to be studied. Object KMC 28,37,38 or Event-driven KMC 39,40 algorithms, which uniquely model the evolution of certain pre-defined objects, rely on the a priori knowledge of the rates of all possible events.…”

The Effect of Pile-Up on Indentation Hardness Evaluation of Neutron-Irradiated 15Ch2MFA Steel

“…Post-irradiation annealing at proper condition can result in partial to nearly full embrittlement recovery [2]. Despite the progress in predicting irradiation embrittlement and recovery [3][4][5], extensive material testing is still required for description of the recovery process.…”