[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 …

An object kinetic Monte Carlo method to model precipitation and segregation in alloys under irradiation

JP Balbuena, L Malerba, N Castin, G Bonny… - Journal of Nuclear …, 2021 - Elsevier
A method based on object kinetic Monte Carlo that can account for segregation and
precipitation in metallic alloys in the presence of both vacancies and self-interstitials is …

Atomic-based phase-field method for the modeling of radiation induced segregation in Fe–Cr

JB Piochaud, M Nastar, F Soisson, L Thuinet… - Computational Materials …, 2016 - Elsevier
We present a quantitative phase-field modeling of radiation-induced segregation in Fe–Cr
alloys. The evolution of chemical and point defect concentration fields are described by an …

Quantitative modeling of solute drag by vacancies in face-centered-cubic alloys

T Garnier, DR Trinkle, M Nastar, P Bellon - Physical Review B, 2014 - APS
Transport coefficients, the elements of the so-called Onsager matrix, are essential quantities
for modeling solid-state kinetics controlled by diffusion. In a face-centered-cubic structure …

Object kinetic Monte Carlo (OKMC): a coarse-grained approach to radiation damage

C Domain, CS Becquart - … of Materials Modeling: Methods: Theory and …, 2020 - Springer
Abstract Object kinetic Monte Carlo (OKMC) approaches allow one to explicitly coarse grain
atomic processes to simulate the evolution with time of the system/microstructure. This class …

Quasi-atomistic modeling of the microstructure evolution in binary alloys and its application to the FeCr case

I Dopico, P Castrillo, I Martin-Bragado - Acta Materialia, 2015 - Elsevier
In this work, we present a comprehensive quasi-atomistic Object Kinetic Monte Carlo
(OKMC) model for diffusion-mediated decomposition in binary alloys, which is applied to the …

Langmuir-like model of dilute impurities in concentrated solid solutions

J Jeffries, E Martinez - arXiv preprint arXiv:2402.07324, 2024 - arxiv.org
High-entropy alloys have drawn recent interest for their promising mechanical properties
and irradiation resistance. Various properties, namely transport properties, are controlled by …

Calculation of strain effects on vacancy-mediated diffusion of impurities in fcc structures: General approach and application to

T Garnier, Z Li, M Nastar, P Bellon, DR Trinkle - Physical Review B, 2014 - APS
Transport coefficients, the elements of the so-called Onsager matrix, are required for
accurate mesoscopic simulations of kinetics or to predict macroscopic diffusion kinetic …

Stochastic Integration of the Cahn-Hilliard Phase Field Equations

Q Yu, N Julian, J Marian, E Martinez - arXiv preprint arXiv:2402.08034, 2024 - arxiv.org
In this work we develop a stochastic algorithm to integrate the Cahn-Hilliard equations. The
algorithm is based on Gillespie's stochastic simulation algorithm, also known as kinetic …

Coarse‐grained approach to amorphous and anisotropic materials in kinetic Monte Carlo thin‐film growth simulations: A case study of TiO2 and ZnO by plasma …

J Budagosky, X García‐Casas… - Plasma Processes …, 2022 - Wiley Online Library
The growth of TiO2 and ZnO thin films is studied by means of coarse‐grained kinetic Monte
Carlo simulations under conditions typically encountered in plasma‐enhanced chemical …