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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.