Energetics and structures of hydrogen-vacancy clusters in tungsten based on genetic algorithm
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摘要:
The behavior of hydrogen (H) in metals has been a longstanding research topic in materials science.One of the most compelling subjects is the deleterious effects of H on the microstructural evolution of materials;these effects include H embrittlement,superabundant vacancy formation,and blistering.Vacancies have been demonstrated through both experiments and computational simulations to have strong H trapping effects [1],resulting in increased H retention [2],gas-filled bubble formation [3-5],and surface modification [6-9].