Damage accumulation in pure iron and high concentrated Fe–12.5 at% Cr alloy: comparison between object kinetic Monte Carlo and cluster dynamics

Modeling of helium bubble nucleation and growth in austenitic stainless steels using an Object Kinetic Monte Carlo method

“…Indeed, our approach cannot deal with the complexity of the atomistic local effects that require to be investigated by other methods. Other example of OKMC methods handling complex systems exist [33,34]. Similarly our OKMC is not limited in the number and the complexity of the processes implemented and enables the study of their relative impact on the kinetic evolution of long term simulations.…”

Cluster dynamics study of damage accumulation in helium-implanted Fe–2.5at%Cr alloy

“…In our simulation, G dpa = 7 × 10 −6 dpa/s for helium implantation according to (8) instead of G dpa = 0.139 × 10 −6 dpa/s for neutron irradiation (15)(16)(17). The values of f vcl(icl) are determined from the fitting procedure similar to (18).…”

“…VC, CV n (n < 7) and SIA clusters (SIAC) are treated as spherical objects and planar dislocation loops. Absorption of single point defects by clusters, dislocation net and grain boundaries are governed by size-dependent bias (15)(16)(17). Thermal emission of vacancies from VC, CV n (n < 7) and SIA s from SIAC is determined by size-dependent binding energy according to the detailed balance principle.…”

“…Fitting parameter Ratio, f icl 0.06001 (15)(16)(17) Master equation of CD for point defect system is taken the same as in (15)(16)(17),…”

“…The primary damage of helium-implanted Fe-Cr alloys is produced in the form of Frenkel pairs, such that, only single vacancies and SIA s plus small VC and SIAC are generated by displacement cascades. The shape of distribution of the point defect clusters on size, produced per unit of time after cascade, is taken as in the case of neutron irradiation (15)(16)(17):…”