Chin. Phys. Lett.  1996, Vol. 13 Issue (9): 693-695    DOI:
Original Articles |
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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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.


Keywords: 61.50.Lt      63.20.Ds     
Published: 01 September 1996
PACS:  61.50.Lt (Crystal binding; cohesive energy)  
  63.20.Ds  
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https://cpl.iphy.ac.cn/       OR      https://cpl.iphy.ac.cn/Y1996/V13/I9/0693
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