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Structure Properties of Ternary Hydrides Ni3A1Hx |
PAN Yi-wei1;ZHANG Wen-qing2;CHEN Nan-xian2 |
1Central Iron and Steel Research Institute, Beijing 100081
2Institute of Applied Physics, Beijing University of Science and Technology Beijing 100083
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Cite this article: |
PAN Yi-wei, ZHANG Wen-qing, CHEN Nan-xian 1996 Chin. Phys. Lett. 13 693-695 |
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Abstract The structure properties of the ternary hydrides Ni3AIHx are studied by use of the interatomic pair potentials obtained from the first principles electronic structure calculation and Chen-Mobius 3-dimensional lattice inversion method. The heat of formation and volume expansion of the hydrogenized systems are investigated.
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Keywords:
61.50.Lt
63.20.Ds
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Published: 01 September 1996
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