Energetics and structures of hydrogen-vacancy clusters in tungsten based on genetic algorithm

• 来源期刊: 中国科学:物理学 力学 天文学（英文版）
• 年，卷（期）: 2018,（10）
• 页码范围: 100-103
• 页数: 4页
• 语种: 英文

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 microstrumctural 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].In addition,at high temperatures and high H pressures,superabundant vacancy formation induced by H is observed [10,11].Unfortunately,even though substantial research has been conducted on the interplay between H and vacancies [12-14],the detailed processes by which H-vacancy complexes nucleate,grow,and agglomerate remain unclear.In these processes,the energetics and structures of H-vacancy clusters are undoubtedly important.They may not only quantify the interaction between H and vacancies but also provide information about the mechanism by which H-vacancy complexes grow.