344 citations · 927 across the 15 of their papers we have counts for
15 papers
Effect of cationic chemical disorder on defect formation energies in uranium-plutonium mixed oxides
Didier Bathellier, Luca Messina, Michel Freyss +5
At the atomic scale, uranium-plutonium mixed oxides (U,Pu)O_2 are characterized by cationic chemical disorder, which entails that U and Pu cations are randomly distributed on the c…
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…
Multi-scale modeling of the effects of temperature, radiation flux and sink strength on point-defect and solute redistribution in dilute Fe-based alloys
Liangzhao Huang, Maylise Nastar, Thomas Schuler +1
In this work, we investigate the radiation-induced segregation (RIS) resulting from the coupling between the atomic and point defect (PD) fluxes towards the structural defects of t…
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…
Solute diffusion by self-interstitial defects and radiation-induced segregation in ferritic Fe-X (X=Cr, Cu, Mn, Ni, P, Si) dilute alloys
Luca Messina, Thomas Schuler, Maylise Nastar +2
This work investigates solute transport due to self-interstitial defects and radiation induced segregation tendencies in dilute ferritic alloys, by computing the transport coeffici…
Atomic scale modeling of the thermodynamic and kinetic properties of dilute alloys driven by forced atomic relocations
Liangzhao Huang, Thomas Schuler, Maylise Nastar
Sustained external forces acting on a material provide additional mechanisms to evolve the state of the system, and these mechanisms do not necessarily obey the microscopic detaile…