Radiation-induced solute segregation in metallic alloys

AJ Ardell, P Bellon - Current Opinion in Solid State and Materials Science, 2016 - Elsevier
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 …

Exact ab initio transport coefficients in bcc (, , , , , ) dilute alloys

L Messina, M Nastar, T Garnier, C Domain, P Olsson - Physical Review B, 2014 - APS
Defect-driven diffusion of impurities is the major phenomenon leading to formation of
embrittling nanoscopic precipitates in irradiated reactor pressure vessel (RPV) steels …

Systematic electronic-structure investigation of substitutional impurity diffusion and flux coupling in bcc iron

L Messina, M Nastar, N Sandberg, P Olsson - Physical Review B, 2016 - APS
The diffusion properties of a wide range of impurities (transition metals and Al, Si, and P) in
ferritic alloys are here investigated by means of a combined ab initio–atomic diffusion theory …

KineCluE: A kinetic cluster expansion code to compute transport coefficients beyond the dilute limit

T Schuler, L Messina, M Nastar - Computational Materials Science, 2020 - Elsevier
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 …

[PDF][PDF] 1.18-Radiation-induced segregation

M Nastar, F Soisson - Comprehensive nuclear materials, 2012 - researchgate.net
Irradiation creates excess point defects in materials (vacancies and self-interstitial atoms),
which can be eliminated by mutual recombination, clustering, or annihilation of preexisting …

A non-singular theory of dislocations in anisotropic crystals

G Po, M Lazar, NC Admal, N Ghoniem - International Journal of Plasticity, 2018 - Elsevier
We develop a non-singular theory of three-dimensional dislocation loops in a particular
version of Mindlin's anisotropic gradient elasticity with up to six length scale parameters. The …

Strong kinetics-stress coupling in lithiation of Si and Ge anodes

H Yang, W Liang, X Guo, CM Wang, S Zhang - Extreme Mechanics Letters, 2015 - Elsevier
Coupling between transport kinetics of chemical participants and mechanical stress is a
universal phenomenon in numerous chemo-physical processes. In this Letter, we present a …

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 …

A novel sequential mechanism associated with stress-induced β→ ω→ β+ α phase transformation in Ti–6Mo-3.5 Cr–1Zr titanium alloy

K Chen, Q Fan, L Yang, S Xu, J Yao, Y Gao… - Materials Science and …, 2022 - Elsevier
A novel metastable β-type Ti–6Mo-3.5 Cr–1Zr alloy is designed using d-electrons theory to
introduce diverse phase transformations. Stress-induced ω (SIω) phase transformation …

Ab initio magnesium-solute transport database using exact diffusion theory

R Agarwal, DR Trinkle - Acta Materialia, 2018 - Elsevier
A recently developed Green function approach informed by ab initio calculations models
vacancy-mediated transport of 61 solutes in a hexagonal close packed magnesium. The 8 …