Abstract
The underlying physical mechanisms of the retention and self-clustering of hydrogen(H) in tungsten(W) are important in understanding the radiation damage and plasma trapping of W-based components in divertors, in which the influence of dislocations has not been sufficiently addressed. For this purpose, quantum mechanics/molecular dynamics(QM/MD) simulations are performed to investigate the distribution of hydrogen(H) clusters along screw dislocation lines in W, where the spreading of the screw dislocation core is first observed introduced by the H clusters. This core spreading constitutes an essential factor that could account for the hydrogen embrittlement phenomenon.
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