Abstract
The structure of the Ni2B amorphous alloy has been investigated by the molecular dynamics method using the Heine-Abarenkov-Animalu and Animalu potentials. The amorphous state is reached by melting a microcrystal of the appropriate composition with subsequent cooling of the melt. The interatomic distances Ni-Ni, B-B, and Ni-B and the boron coordination numbers with respect to boron and nickel are determined from the calculated partial radial atomic distribution functions (RDFs). It is found that, upon transition from the crystalline state to the amorphous state, the antiprismatic-type structure transforms into the trigonalprismatic structure.
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Stepanova, A.V., Lad’yanov, V.I., Nurgayanov, R.R. et al. Structural model of the Ni2B amorphous alloy from the data of molecular dynamics simulation. Glass Phys Chem 26, 342–345 (2000). https://doi.org/10.1007/BF02731996
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DOI: https://doi.org/10.1007/BF02731996