A combined atomistic and monte carlo simulation of point defect–dislocation interactions

The rate constants for the vacancy and self‐interstitial edge‐dislocation interaction are obtained using Monte Carlo simulations. For the vacancy, the drift field is obtained by lattice relaxation simulation, while for the self‐interstitial, elasticity theory is used. Models used in rate theory for the point defect–dislocation interactions are briefly reviewed. The effective trapping radius, which determines the rate constant, is obtained as a function of temperature and dislocation density and is calculated to be ≈ 3.4 times the value obtained using standard techniques for the interaction of a vacancy with the 1/2〈111〉{110} edge dislocation in molybdenum. The bias factor is obtained as a function of dislocation density and temperature. Values ranging from 10 to 40% are found.