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物理学报  2010 

Molecular dynamics study of relaxation and local structure changes in a rapidly quenched molten Cu_(57) cluster
熔融Cu_(57)团簇在急冷过程中弛豫和局域结构转变的分子动力学研究

Keywords: cluster,molecular dynamics,computer simulation,surface
团簇,
,分子动力学,,计算机模拟,,表面

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Abstract:

Relaxation and local structure changes of a molten Cu57 cluster during rapidly quenching have been studied by molecular dynamics simulation using embedded atom method.With decreasing quenching temperature,atom motion details are analyzed using three factors,including the mean square displacement,incoherent intermediate scattering function,and non-Gaussian parameter,while the local structure changes are identified by pair analysis.Simulation results reveal that after a drastic collective motion of atoms,the ...

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