Molecular‐dynamics simulations of silicene nanoribbons under strain | Zendy

İnce Alper | Zendy; Erkoç Şakir | Zendy

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Molecular‐dynamics simulations of silicene nanoribbons under strain

Author(s) -

İnce Alper,

Erkoç Şakir

Publication year - 2012

Publication title -

physica status solidi (b)

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.51

H-Index - 109

eISSN - 1521-3951

pISSN - 0370-1972

DOI - 10.1002/pssb.201147267

Subject(s) - silicene , molecular dynamics , materials science , strain (injury) , condensed matter physics , toughness , nanotechnology , composite material , physics , computational chemistry , chemistry , graphene , medicine

Structural properties of silicene nanoribbons (SiNRs) of varying width have been investigated under 5% and 10% uniaxial strain via classical Molecular‐Dynamics simulations at 1 and 300 K temperatures by the aid of atomistic many‐body potential energy functions (PEFs). It has been found that under strain, SiNRs show such material properties: they are very ductile, with considerable toughness and a very long plastic range before fragmentation.Behavior of silicene nanoribbon under uniaxial strain: 2D structure changes to 1D gradually. The figure shows the mid‐steps (steps #3–#5) of an eight‐step stain application.

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