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| Theoretical study of aging effects on LaNi_5 tritium storage | |
| 引用本文： | PING Feilin1,2,JIANG Gang1,ZHANG Lin2 & ZHU Zhenghe1 1. Institute of Atomic and Molecular Physics,Sichuan University,Chengdu 610065,China, 2. Research Center of Laser Fusion,Mianyang 621900,China. Theoretical study of aging effects on LaNi_5 tritium storage[J]. 中国科学G辑(英文版), 2005, 48(6) |
| 作者姓名： | PING Feilin1 2 JIANG Gang1 ZHANG Lin2 & ZHU Zhenghe1 1. Institute of Atomic and Molecular Physics Sichuan University Chengdu 610065 China 2. Research Center of Laser Fusion Mianyang 621900 China |
| 作者单位： | PING Feilin1，2，JIANG Gang1，ZHANG Lin2 & ZHU Zhenghe1 1. Institute of Atomic and Molecular Physics，Sichuan University，Chengdu 610065，China; 2. Research Center of Laser Fusion，Mianyang 621900，China |
| 摘 要： | 1 Introduction LaNi5 intermetallic compounds, used in storage, separation and purification of hydro- gen and hydrogen isotopes, are known for a high-density storage, easy activation, low pressure, and rapid and reversible absorption and desorption[1-15]. Tritium as an impor- tant material in the nuclear industry is radioactively decaying into 3He with a half-life of 12.3 years. With time, there are many changes in the electronic and physical properties of the tritide for the deposition of 3He… |
Theoretical study of aging effects on LaNi5 tritium storage |
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| PING Feilin,JIANG Gang,ZHANG Lin,ZHU Zhenghe. Theoretical study of aging effects on LaNi5 tritium storage[J]. Science in China(Physics Astronomy), 2005, 48(6) | |
| Authors: | PING Feilin JIANG Gang ZHANG Lin ZHU Zhenghe |
| Affiliation: | 1. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;Research Center of Laser Fusion, Mianyang 621900, China 2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China 3. Research Center of Laser Fusion, Mianyang 621900, China |
| Abstract: | The electronic structure and energy of La2Ni10H12 and La2Ni10H11He (He is at tetrahedral, octahedral or twelve-face polyhedral interstitials) double cells have been calculated using the density functional theory. Their equilibrium structure, energy bands, electronic density of states (DOS) and X-ray diffraction are presented and discussed. The results indicate the helium-3 produced due to the decay of tritium is most possibly sited at twelve-face polyhedral and octahedral interstices and changes the thermodynamic properties of LaNi5 tritide system. The changes due to aging such as the reduction in the isotherm plateau pressure, increase of the isotherm plateau slope, and appearance of deeply trapped hydrogen are caused not only by the lattice expansion, but also by modification of the electronic structure due to the presence of He. |
| Keywords: | LaNi5 alloy density functional theory electronic structure aging. |
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