The effect of hydrogen on the recombination of Frenkel pair in tungsten： A theoretical insight

Tungsten （W）, with its primary advantages, is considered as the most promising candidate for plasma facing materials （PFMs） for the next generation of fusion devices such as ITER. However, continuous bombardment with 14.1 MeV neutron introduces Frenkel defects as the primary damage in W [1]. The Frenkel defects, composed of self-interstitial atoms （SIAs） and vacancies, can develop to extended defects such as voids and interstitial clusters, resulting in hardening, swelling and embrittlement of W, thus degrading the properties of W [2]. The recombination of SIAs and vacancies is an effective way to reduce the Frenkel defects in bulk W, which enhances the radiation resistance of W based on recent theoretical calculations [3,4]. The moving of the SIA to the vacancy could finish the recombination process through instantaneous or thermally activated way [3]. The instantaneous recombination region is an ellipse with the semi-minor axis of 5.4 ？ and semi-major axis of 18 ？ according to the molecular dynamics calculation [4].