Radiation-induced solute segregation in metallic alloys
The subject of radiation-induced solute segregation (RIS) in metallic alloys is reviewed. RIS
manifests itself in several different ways, including diffusion to point-defect sinks …
manifests itself in several different ways, including diffusion to point-defect sinks …
Vacancy mediated substitutional diffusion in binary crystalline solids
We describe a formalism to predict diffusion coefficients of substitutional alloys from first
principles. The focus is restricted to vacancy mediated diffusion in binary substitutional …
principles. The focus is restricted to vacancy mediated diffusion in binary substitutional …
Exact ab initio transport coefficients in bcc (, , , , , ) dilute alloys
Defect-driven diffusion of impurities is the major phenomenon leading to formation of
embrittling nanoscopic precipitates in irradiated reactor pressure vessel (RPV) steels …
embrittling nanoscopic precipitates in irradiated reactor pressure vessel (RPV) steels …
KineCluE: A kinetic cluster expansion code to compute transport coefficients beyond the dilute limit
This paper introduces the KineCluE code that implements the self-consistent mean-field
theory for clusters of finite size. Transport coefficients are obtained as a sum over cluster …
theory for clusters of finite size. Transport coefficients are obtained as a sum over cluster …
Description of far-from-equilibrium processes by mean-field lattice gas models
JF Gouyet, M Plapp, W Dieterich, P Maass - Advances in Physics, 2003 - Taylor & Francis
Mean-field kinetic equations are a valuable tool to study the atomic dynamics and spin
dynamics of simple lattice gas and Ising models. They can be derived from the microscopic …
dynamics of simple lattice gas and Ising models. They can be derived from the microscopic …
Automatic numerical evaluation of vacancy-mediated transport for arbitrary crystals: Onsager coefficients in the dilute limit using a Green function approach
DR Trinkle - Philosophical Magazine, 2017 - Taylor & Francis
A general solution for vacancy-mediated diffusion in the dilute-vacancy/dilute-solute limit for
arbitrary crystal structures is derived from the master equation. A general numerical …
arbitrary crystal structures is derived from the master equation. A general numerical …
A mean field theory for diffusion in a dilute multi-component alloy: a new model for the effect of solutes on self-diffusion
M Nastar - Philosophical magazine, 2005 - Taylor & Francis
A new extension of the self-consistent mean field (SCMF) theory is developed to describe
diffusion in dilute alloys, special attention being paid to the problem of self-diffusion in the …
diffusion in dilute alloys, special attention being paid to the problem of self-diffusion in the …
Kinetic Monte Carlo simulations of radiation induced segregation and precipitation
F Soisson - Journal of nuclear materials, 2006 - Elsevier
Kinetics of radiation induced segregation and precipitation in binary alloys are studied by
Monte Carlo simulations. The simulations are based on a simple atomic model of diffusion …
Monte Carlo simulations. The simulations are based on a simple atomic model of diffusion …
Modeling microstructure and irradiation effects
CS Becquart, C Domain - Metallurgical and Materials Transactions A, 2011 - Springer
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 …
metallic alloy microstructures under irradiation. For this purpose, multiscale approaches are …
Stress-induced anisotropic diffusion in alloys: Complex Si solute flow near a dislocation core in Ni
Stress introduces anisotropy in the transport coefficients in materials, affecting diffusion.
Using first-principles quantum-mechanical methods for activation barriers of atomic jumps …
Using first-principles quantum-mechanical methods for activation barriers of atomic jumps …