Research Of He Behavior In Different Erbium Hydrides

As the most potential new energy in the 21st century,nuclear energy has been paid more and more attention.However,in order to realize the application of nuclear energy,it is necessary to solve the problem of safe storage and transportation of nuclear materials.Tritium,as an important fuel of nuclear fusion and the product of fission reactor,is particularly important to study appropriate tritium storage materials.Rare earth metals can react with tritium or hydrogen,which is a safe and efficient tritium storage material.In the procession of rare earth tritium storage,due to the difference of temperature,pressure and the amount of tritium absorbed,erbium hydrides of different phases will be formed.Tritium will produce³He through?decay.³He will accumulate in the tritiated material and form helium bubble.The production of helium bubble will not only affect the tritiated material's tritiated storage ability,but also destroy the tritiated material.Erbium hydrides of different phases have different properties,and the effect of He bubble on them is also different.Therefore,it is very important for hydrogen storage materials to study the behavior of He in different phase Er hydrides.Based on this,this paper studies the behavior of He in different phases of erbium hydride.Firstly,the effect of he on the stability of different phases of erbium hydride is studied.Then the migration behavior of he in different phase of Er hydride is studied,and the effect of He concentration on the migration energy is studied.Finally,the effect of doping on He migration in Er hydride is studied.Because of the similar properties of rare earth metals,the study of Er-based tritium storage materials can provide theoretical support and experimental reference for rare earth tritium storage materials.The main contents of this paper are as follows:1.Establishment of the structure of erbium hydrides.The structure is established by Material Studio,and then optimized by first principle.2.Calculate the formation energy by ab initio method,and study the stability of different Erbium hydrides and the stability after He generation.3.The ab initio method is used to study the mechanical properties of Erbium hydride and the effect of He doping at different positions on the mechanical properties.The reason of the decrease of the mechanical properties of Er Tritide is analyzed from the electronic structure.4.The migration behavior of He in different Erbium Hydride compounds was studied.The migration of He in different interstitial sites or vacancies was studied in detail.5.The effect of He concentration on the migration behavior of He in three phases was studied.6.For?-ErH₂ doped Hf,Ti,the effect of doping on the migration behavior of He was studied.