79 citations · 173 across the 6 of their papers we have counts for
6 papers
Magnetochemical effects on phase stability and vacancy formation in fcc Fe-Ni alloys
Kangming Li, Chu-Chun Fu, Maylise Nastar +2
We investigate phase stability and vacancy formation in fcc Fe-Ni alloys over a broad composition-temperature range, via a density functional theory parametrized effective interact…
Point defect evolution under irradiation: finite size effects and spatio-temporal correlations
Enrique Martinez, Frédéric Soisson, Maylise Nastar
The evolution of point defect concentrations under irradiation is controlled by their diffusion properties, and by their formation and elimination mechanisms. The latter include th…
Atomic diffusion in alpha-iron across the Curie point: an effcient and transferable ab-initio-based modelling approach
Anton Schneider, Chu Chun Fu, Frederic Soisson +1
An accurate prediction of atomic diffusion in Fe alloys is challenging due to thermal magnetic excitations and magnetic transitions. We propose an effcient approach to address thes…
Simple concentration-dependent pair interaction model for large-scale simulations of Fe-Cr alloys
Maximilien Levesque, Enrique Martínez, Chu-Chun Fu +2
This work is motivated by the need for large-scale simulations to extract physical information on the iron-chromium system that is a binary model alloy for ferritic steels used or…
Studies of homogeneous precipitation in very dilute iron-coper alloys using kinetic Monte Carlo simulations and statistical theory of nucleation
V. G. Vaks, F. Soisson, I. A. Zhuravlev
Kinetics of homogeneous nucleation and growth of copper precipitates under electron irradiation of Fe_{1-x}Cu_x alloys at concentrations x from 0.06 at.% to 0.4 at.% and temperatur…
Simulations of decomposition kinetics of Fe-Cr solid solutions during thermal aging
E. Martinez, C. -C. Fu, M. Levesque +2
The decomposition of Fe-Cr solid solutions during thermal aging is modeled by Atomistic Kinetic Monte Carlo (AKMC) simulations, using a rigid lattice approximation with composition…