Molecular dynamics simulation has been performed for investigating the glass transition of Pd-Ni alloy nano-particles in the solidification process.The radial distribution function and pair analysis method were used to characterize the structure of Pd-Ni nano-clusters after solidification.The results shown that the Pd-Ni nano-particles, with composition far from pure metal, should form amorphous structure more easily, which is according with the results of the thermodynamic calculation by Miedemas method.Pair analysis indicates that the amorphous Pd-Ni alloys nano-particles consist of 1551, 1541 and 1431 corresponding to inherent structures with regularand distorted fivefold symmetry.The nano-clusters with bigger difference value between formation enthalpies of solutions and glasses will transform to glass more easily than the other Pd-Ni alloy nano-clusters.