This work investigates solute transport due to self-interstitial defects and radiation induced
segregation tendencies in dilute ferritic alloys, by computing the transport coefficients of …

Defect-driven diffusion of impurities is the major phenomenon leading to formation of
embrittling nanoscopic precipitates in irradiated reactor pressure vessel (RPV) steels …

A cellular automaton model (CA) with probabilistic state switches is developed to simulate
the microstructural evolution in a Ni-based superalloy during static recrystallization (SRX) …

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 …

In authors' previous work [Mater. Charact., 141 (2018) 212–222], it was found that the
heterogeneous deformed microstructures can be replaced by the relatively homogeneous …

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 …

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 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 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 …

In this work, a degenerate diffusion state is identified for common L12 intermetallics in well-
defined five-frequency model (FFM) and anti-site bridge model (ASB). The relative energy …