Calculation of the surface energy of copper nanowires of different thickness and orientation

V.S. Myasnichenko, A.Yu. Kolosov, D.N. Sokolov, E.M. Davydenkova, N.Yu. Sdobnyakov
Tver State University

DOI: 10.26456/pcascnn/2018.10.477

Abstract: The Monte-Carlo lattice method is used to search for the surface structure of crystalline copper nanowires of various orientations. Fragmentation of 3,3 nm thick wires into individual spherical nanoparticles is observed. When a nanowire with an initial orientation along the [100] crystallographic axis is rotated, its surface energy increases monotonically to a certain value of the angle of rotation, with a further decrease with orientation along the [110] axis. A dependence of the surface energy on the nanowire’s diameter was not revealed.
Keywords: surface, Monte Carlo method, tight-binding potential, crystal lattice, nanowire, Rayleigh-Plato instability, fragmentation.

Bibliography link:
Myasnichenko, V.S. Calculation of the surface energy of copper nanowires of different thickness and orientation / V.S. Myasnichenko, A.Yu. Kolosov, D.N. Sokolov et al. // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2018. – I. 10. – P. 477-484.

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