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Atomic Structure of Cu_(49)Hf_(42)Al_9 Metallic Glass with High Glass-Forming Ability and Plasticity
Authors:Kai Li  Yu-Jen Chou  Fang-Liang Gao  Guo-Qiang Li
Abstract:Electron diffraction was used to study the local atomic structure of Cu_(49)Hf_(42)Al_9 metallic glasses(MGs).The amorphous nature of the MG was fully retained after the compression test.The partial radial distribution functions(PRDFs)of the MG structure obtained from the atomic model using reverse Monte Carlo and density functional theory optimization display that the peaks of the first nearest-neighbour distances for Cu-Cu,Hf-Cu and Hf-Hf atomic pairs were located at 2.56 A,2.78 A and 3.23 A,respectively.The wide distribution of PRDF for Hf-Hf atomic pair explained the high plasticity of the material.
Keywords:Metallic glass  Radial distribution function  Electron diffraction  Density functional theory  Atomic structure  
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