March 2016, № 3 (191)

Zakharov P.V., Eremin A.M., Starostenkov M.D., Manakov N.A. MOVING DISCRETE BREATHER INTERACTION WITH THE POINT DEFECT IN THE CRYSTAL WITH A₃B COMPOSITIONMoving discrete breather interactions with the point defect in crystal with A₃B composition taken as an example Pt₃Al are studied by the method of molecular dynamics. The problem of interaction the objects of soliton with topological defects in the crystal is important for assess the prospects of the use of such solitons, as discrete breathers, in technological processes. As a point defect interstitial Al atom is, placed into the tetrahedral cavity of the crystal. To make excitation of the moving discrete breather two Al atoms were deviated from their equilibrium position on the value of 0,5–1 A and 1 A to the opposite sides along the densely packed directions this way the initial velocity of the discrete brearher moving through the crystal. Moving discrete breather excitation is possible along the densely packed directions: <110>, <011>, <101>, <110>. In the chosen model several atoms of the light sublattice participate in the moving discrete breather oscillations.In this case moving discrete breathers can migrate through the crystal at a considerable distance, almost without dissipation its energy. The obtained data allow us to judge about moving discrete breather influence on the point defect in the crystal due to its speed, energy and the distance to the defect. This opens up a prospect of usage such objects as analyzer of alloy purity and defect structures in the crystals with A₃B composition. Moreover such objects can be used to transfer energy or information along the crystal.Key words: discrete breathers, quasi-breather, point defects, molecular dynamics.

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About this article

Authors: Eryomin A.M., Zaharov P.V., Starostenkov M.D., Manakov N.A.

Year: 2016

Editor-in-chief

Sergey Aleksandrovich
MIROSHNIKOV

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