Molecular Dynamics Simulation of Pd-Ni Alloy Nano-particle Glass Transition
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 regular and 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.
Molecular dynamic Pd-Ni alloy nano-particle composition pair analysis amorphous
Chen Gang Zhang Peng
School of Materials Science and Engineering, Harbin Institute of Technology at Weihai, Weihai 264209,China
国际会议
上海
英文
140-140
2012-10-19（万方平台首次上网日期，不代表论文的发表时间）