Radiation induced segregation near dislocations and symmetric tilt grain boundaries in Fe-Cr alloys: A phase-field study

GFB Moladje, L Thuinet, CS Becquart, A Legris - Acta Materialia, 2022 - Elsevier
A phase-field model dedicated to dislocation climb under irradiation has been coupled to
point defects and chemical species transport equations. It allows to predict radiation induced …

Density-based crystal plasticity: From the discrete to the continuum

PL Valdenaire, Y Le Bouar, B Appolaire, A Finel - Physical Review B, 2016 - APS
Because of the enormous range of time and space scales involved in dislocation dynamics,
plastic modeling at macroscale requires a continuous formulation. In this paper, we present …

Phase field methods

P Bellon, L Thuinet - Comprehensive nuclear materials, 2020 - hal.science
This article reviews the principles and applications of the phase field technique for modeling
phase transformations and microstructural evolutions, with an emphasis on solid-solid …

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 …

[HTML][HTML] Towards accurate thermodynamics from random energy sampling

T Schuler, M Nastar, K Li, CC Fu - Acta Materialia, 2024 - Elsevier
Abstract Special Quasi-random Structures (SQSs) are often used to model disordered alloys
in small simulation cells. Yet, SQS-based sampling yields chemical potentials (and other …

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 …

Coarse graining for the phase-field model of fast phase transitions

D Jou, PK Galenko - Physical Review E—Statistical, Nonlinear, and Soft …, 2013 - APS
Fast phase transitions under lack of local thermalization between successive elementary
steps of the physical process are treated analytically. Non-Markovian master equations are …

Phase-field models

M Plapp - Handbook of Crystal Growth, 2015 - Elsevier
The transport-limited growth of crystals can create complex morphologies due to the
occurrence of morphological instabilities and subsequent evolution of the interfaces. The …

[HTML][HTML] Vacancy formation free energy in concentrated alloys: Equilibrium vs. random sampling

K Li, T Schuler, CC Fu, M Nastar - Acta Materialia, 2024 - Elsevier
Abstract Special Quasi-random Structures (SQSs) are often used to model disordered alloys
in small simulation cells. Yet, SQS-based sampling yields defect formation energies that do …

Synergistic effects of Al and Mo on coarsening kinetics of Ni-based superalloys at 1200° C

M Li, W Zhao, Y Ru, Y Pei, S Li… - Materials Research …, 2024 - Taylor & Francis
The interaction effects of γ-strengthening and γ'-former elements have long troubled the
alloying design of superalloys, especially improving γ'-thermostability by Al addition against …