This review discusses atomistic modeling techniques used to simulate radiation damage in
crystalline materials. Radiation damage due to energetic particles results in the formation of …

The temperature-dependent solubility of Cu in α-Fe and initial stages of Cu precipitation are
investigated in first-principles calculations and statistical thermodynamic and kinetic …

The quality of kinetic Monte Carlo (KMC) simulations of microstructure evolution in alloys
relies on the parametrization of point-defect migration rates, which are complex functions of …

The kinetics of decomposition of a polycrystalline Fe–Cu alloy and the formation of
precipitates at the grain boundaries of the material have been investigated theoretically …

Radiation-enhanced diffusion (RED) of copper (Cu) in iron (Fe) is essential for
understanding solute/impurity diffusion in nuclear materials, especially reactor pressure …

The statistical theory of diffusion in concentrated bcc and fcc alloys with arbitrary pairwise
interatomic interactions based on the master equation approach is developed. Vacancy …

The earlier-suggested master equation approach is used to develop the statistical theory of
steady-state diffusion in concentrated substitution alloys considering fcc alloys with the …

The earlier-developed statistical theory of diffusion in concentrated alloys based on the
master equation approach is generalized to treat tracer diffusion in binary alloys. The theory …

The statistical theory of diffusion in concentrated BCC and FCC alloys with arbitrary pairwise
interatomic interactions based on the master equation approach is developed. Vacancy …

Кинетика распада в поликристаллическом сплаве Fe–Cu и формирование выделений
на границах зерен (ГЗ) исследованы теоретически с использованием атомистического …