First Principles for Effect of ~3He on LaNi_5 Tritium Storage

PING Fei-lin<sup>1,2</sup>,JIANG Gang<sup>2</sup>,ZHANG Lin<sup>1</sup>,ZHU Zheng-he<sup>2</sup> (1.Research Center of Laser Fusion,China Academy of Engineering Physics,Mianyang 621900,China;2.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China)

doi:10.7538/yzk.2005.39.06.0487

PING Fei-lin1,2,JIANG Gang2,ZHANG Lin1,ZHU Zheng-he2 (1.Research Center of Laser Fusion,China Academy of Engineering Physics,Mianyang 621900,China;2.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China). First Principles for Effect of ~3He on LaNi_5 Tritium Storage[J]. Atomic Energy Science and Technology, 2005, 39(6): 487-487. DOI: 10.7538/yzk.2005.39.06.0487

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First Principles for Effect of ~3He on LaNi_5 Tritium Storage

PING Fei-lin^1,2,JIANG Gang²,ZHANG Lin¹,ZHU Zheng-he² (1.Research Center of Laser Fusion,China Academy of Engineering Physics,Mianyang 621900,China;2.Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China)

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The density function calculation of electronic structure and energy of La_(2)Ni_(10)T_(12) and La_(2)Ni_(10)T_(11)He(~(3)He in tetrahedral,octahedral or twelve-face polyhedral interstitial) is described.Meanwhile,the equilibrium structure,energy bands and electronic density of states(DOS) are given and discussed.The results indicate that the ~3He,tritium decay product,is most possibly set in octahedral and twelve-face polyhedral interstitial.The changes of crystal structure and DOS caused by ~(3)He are responsible for the decreased(isotherm) plateau pressure,increased isotherm plateau slope and(appearance) of deep-trapped in tritium deposited.

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First Principles for Effect of ~3He on LaNi_5 Tritium Storage

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