6LiD is an important fusion fuel which is characterized by 6Li+n→T+4He and D+T→n+4He,so it may be applied in military use and future fusion reactor.In fact,chemical properties of 6LiD analogies(such as 6LiH,7LiH and 6LiT)are highly active,readily react with water vapor in air,and this reaction is even stronger in water.Powder of these materials can ignite in humid air,and sometimes dust explosion occurs.These reactions make them deliquescence,deterioration and degradation.Experimentally,great attentions have paid on the aging mechanisms of protective layer for LiH.However,previous works have little reported deliquescence mechanisms for 6LiD,6LiH,7LiH and 6LiT at the microscopic scale.Therefore,it is essential to investigate physicochemical properties and deliquescence mechanisms for these lithium compounds,understand possible chemical reactions,and shed insight on microscopic mechanisms for chemical reactions and this complicated reaction system.