000014300 001__ 14300
000014300 005__ 20161115100147.0
000014300 04107 $$aeng
000014300 046__ $$k2016-08-21
000014300 100__ $$aVerma, Deepti
000014300 24500 $$aSizescale Effects in Bending Flexibility of Phosphorene and its 2D Allotropes

000014300 24630 $$n24.$$p24th International Congress of Theoretical and Applied Mechanics - Book of Papers
000014300 260__ $$bInternational Union of Theoretical and Applied Mechanics, 2016
000014300 506__ $$arestricted
000014300 520__ $$2eng$$aα-Phosphorene, a newly discovered two-dimensional (2D) derivative of Black Phosphorus [1], has an inherent band gap with a high current on/off ratio. We study bending flexibility of α-phosphorene and its 2D allotropes by modeling them as large diameter phosphorene nanotubes (PNTs). We use objective boundary conditions (OBC) [2, 3] coupled with a density functional tight binding model (DFTB) that facilitates drastic reductions in the number of atoms in the simulations of PNTs of arbitrary chirality. We further combine the results of our bending strain calculations with an orthotropic thin shell model to develop equivalent continuum structure (ECS) for phosphorene and its allotropes.

000014300 540__ $$aText je chráněný podle autorského zákona č. 121/2000 Sb.
000014300 653__ $$a

000014300 7112_ $$a24th International Congress of Theoretical and Applied Mechanics$$cMontreal (CA)$$d2016-08-21 / 2016-08-26$$gICTAM2016
000014300 720__ $$aVerma, Deepti
000014300 8560_ $$ffischerc@itam.cas.cz
000014300 8564_ $$s86132$$uhttps://invenio.itam.cas.cz/record/14300/files/PO.SM10-1.13.303.pdf$$yOriginal version of the author's contribution as presented on CD,  page 2556, code PO.SM10-1.13.303
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000014300 962__ $$r13812
000014300 980__ $$aPAPER