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    ARTICLE

    Ab Initio Molecular-Dynamics Simulation Liquid and Amorphous Al94-xNi6Lax (x=3-9) Alloys

    Lu Wang1,2, Cuihhong Yang2, Tong Liu3, Hongyan Wu2,*

    CMC-Computers, Materials & Continua, Vol.60, No.2, pp. 757-765, 2019, DOI:10.32604/cmc.2019.04499

    Abstract Ab initio molecular-dynamics simulations have been used to investigate the liquid and amorphous Al94-xNi6Lax (x=3-9) alloys. Through calculating the pair distribution functions and partial coordination numbers, the structure and properties of these alloys are researched, which will help the design bulk metallic glass. The concentration of La atoms can affect the short-range order of Al94-xNi6Lax alloys, which is also studied in this calculation result. More >

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