ABSTRACTThe mechanism of damage production in solids during irradiation is of great practical interest in nuclear technology. The need to increase the life time of current nuclear plants as well as extreme conditions (high temperature and high neutron flux) in new generations of nuclear plants leads to have a deep insight into radiation damage in solids. In fact, the slowing down of particles in solids leads to a non homogeneous distribution of defects in solids, giving rise to complex microstructures with unusual properties. Numerous experiments, Molecular Dynamics (MD) and Monte Carlo (MC) simulations have clearly shown that highly damaged areas called displacement cascades are produced by neutron or impinging ions in solids. It is now clearly established that the number and the distribution of these subcascades dictate the long term evolution of the microstructure under irradiation. In this work, we present a new model to calculate the mean number of displacement cascades produced in a mono-atomic solid by an incident particle within the Binary Collision Approximation framework (BCA) taking into account all information extracted from MD simulations. To reach such a goal, the notion of subcascade threshold energy is introduced and discussed on some examples. Within this formalism, we exhibit a new way to estimate the number of defects created in a displacement cascade integrating results of MD simulations of cascades.
Comparison of binary collision approximation and molecular dynamics for displacement cascades in GaAs.