This work is devoted to simulation of interstitial atom diffusion in fcc metals with point defects. these defects are intacted with each other that gives rise to the formation of a complex defect, which can alter the surrounding atom configuration and consequently the local magnitude of the activation barrier for the jump of interstitial atom as for instance carbon or hydrogen. This problem is investigated by a combination of two simulation methods: molecular static method and Monte Carlo method. In the present study we used the molecular static method to model the activation barrier set for different configurations interstitial atom - vacancy. Knowing the activation barriers, it is possible to calculate the jump rates. Using these jump rates and basing on the Monte Carlo method, it is possible to model the interstitial atom migration. The entry parameter is only a potential function for the systems Me-Me, Me-C and Me-H. In the present study the variation of the interstitial atom diffusion coeffcient with temperature is computed. In particular, the calculations were related to the systems nickel-carbon and nickel-hydrogen. The simulation shows that the interference between vacancy and interstitial atom affects the acceleration of interstitial atom diffusion in the range of the investigated temperatures.

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1. Atomic and meso-scale simulation of the diffusion features of point defects.