Atomic Simulations of the Interaction between a Dislocation Loop and Vacancy-Type Defects in Tungsten

Tungsten (W) is considered to be the most promising plasma-facing material in fusion reactors. During their service, severe irradiation conditions create plenty of point defects W, which can significantly degrade performance. In this work, we first employ molecular static simulations investigate interaction between a 1/2[111] dislocation loop and vacancy-type defect including vacancy, di-vacancy, vacancy cluster W. The distributions binding energies interstitial along different directions at 0 K are obtained, validated by using elasticity theory. calculated di-vacancy cluster, showing similar behavior case vacancy. Furthermore, use dynamics simulation study effect on mobility loop. closely related temperature relative positions. A attract pin it low temperatures. At high temperatures, move randomly. These results will help us understand essence behaviors provide necessary parameters for mesoscopic scale simulations.