The structure properties of the ternary hydrides Ni_(3)AIH_(x) are studied by use of the interatomic pair potentials obtained from the first principles electronic structure calculation and Chen-Mobius 3-dimensional la...The structure properties of the ternary hydrides Ni_(3)AIH_(x) 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.展开更多
文摘The structure properties of the ternary hydrides Ni_(3)AIH_(x) 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.