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We describe the development of a new object kinetic Monte Carlo code wherethe elementary defect objects are off-lattice atomistic configurations.Atomic-level transitions are used to transform and translate objects, to splitobjects and to merge them together. This gradually constructs a database ofatomic configurations -- a set of relevant defect objects and their possibleevents generated on-the-fly. Elastic interactions are handled within objectswith empirical potentials at short distances, and between spatially distinctobjects using the dipole tensor formalism. The model is shown to evolve mobileinterstitial clusters in tungsten faster than an equivalent molecular dynamicssimulation, even at elevated temperatures. We apply the model to the evolutionof complex defects generated using molecular dynamics simulations of primaryradiation damage in tungsten. We show that we can evolve defect structuresformed in cascade simulations to experimentally observable timescales ofseconds while retaining atomistic detail. We conclude that the first fewnanoseconds of simulation following cascade initiation would be betterperformed using molecular dynamics, as this will capture some of thenear-temperature-independent evolution of small highly-mobile interstitialclusters. We also conclude that, for the 20keV PKA cascades annealingsimulations considered here, internal relaxations of sessile objects difficultto capture using conventional object KMC with idealised object geometriesestablish the conditions for long timescale evolution.

Atomistic-Object Kinetic Monte Carlo simulations of irradiation damage in tungsten