DFT Calculations of Stable Geometries of Al_nNi_m(n+m=13,19) Clusters
2008
Studied the universal interatomic potentials between Al-Al,Ni-Ni and Al-Ni using the Chen's lattice inversion method and density function theory(DFT).On the base of data calculated,using method of Conjugate Gradient the study concentrated on the stable geometry structure of Al-Ni clusters with 13 and 19 atoms.
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