Physics of the Solid State
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Grain boundary structure in the β-phase of Pd-Cu 55 at.% solid solution (molecular dynamics)
Ievlev V. M.
1, Dontsov A.I.
1, Prizhimov A. S.
1, Gorbunov S. V.
1
1Baikov Institute of Metallurgy and Materials Science, Russian Academy of Sciences, Moscow, Russia
Email: rnileme@mail.ru
The results of molecular dynamic simulation of the grain boundary structure in the β-phase (ordered CsCl type structure) of a Pd-Cu 55 at.% solid solution are presented. It is shown that in the grain boundaries (small-angle <001>, theta=8o and large-angle <001>, theta=36.9o the torsion boundary, large-angle tilt boundary <100>, theta=36.9o) a boundary phase with an unordered structure is formed. Keywords: interatomic interaction, large-angle boundaries, small-angle boundaries, B2-ordered solid solution.
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