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Finite-length armchair graphene nanoribbons can behave as one dimensional topological materials, that may show edge states in their zigzag-terminated edges, depending on their width and termination. We show here a full solution of…

Mesoscale and Nanoscale Physics · Physics 2023-03-15 A. García-Fuente , D. Carrascal , G. Ross , J. Ferrer

Based on a first-principles approach, we present scaling rules for the band gaps of graphene nanoribbons (GNRs) as a function of their widths. The GNRs considered have either armchair or zigzag shaped edges on both sides with hydrogen…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Young-Woo Son , Marvin L. Cohen , Steven G. Louie

We consider a nonlinear, frame indifferent Griffith model for nonsimple brittle materials where the elastic energy also depends on the second gradient of the deformations. In the framework of free discontinuity and gradient discontinuity…

Analysis of PDEs · Mathematics 2019-09-25 Manuel Friedrich

We prove that that for nonlinear elastic energies with strong enough energetic control of the outer distortion of admissible deformations, almost everywhere global invertibility as constraint can be obtained in the $\Gamma$-limit of the…

Analysis of PDEs · Mathematics 2022-06-29 Stefan Krömer , Philipp Reiter

We study the motion of a rigid elastic rod, initially set in its relaxed state along a spacelike geodesic, in an expanding Friedmann-Lema\^itre-Robertson-Walker universe. This leads to an initial boundary value problem (IBVP) for a…

General Relativity and Quantum Cosmology · Physics 2025-07-30 Simão Correia , José Natário , Jorge Drumond Silva

We investigate the statistical mechanics of long developable ribbons of finite width and very small thickness. The constraint of isometric deformations in these ribbon-like structures that follows from the geometric separation of scales…

Soft Condensed Matter · Physics 2010-06-14 L. Giomi , L. Mahadevan

Nontrivial infinitesimal bendings for a class of two-dimensional surfaces are constructed. The surfaces considered here are orientable; compact; with boundary; have positive curvature everywhere except at finitely many planar points; and…

Analysis of PDEs · Mathematics 2009-10-06 Abdelhamid Meziani

For a wide class of curvature energy functionals defined for planar curves under the fixed-length constraint, we obtain optimal necessary conditions for global and local minimizers. Our results extend Maddocks' and Sachkov's rigidity…

Differential Geometry · Mathematics 2024-05-08 Tatsuya Miura , Kensuke Yoshizawa

We study three-dimensional deformations of thin inextensible elastic rods with non-vanishing spontaneous curvature and torsion. In addition to the usual description in terms of curvature and torsion which considers only the configuration of…

Soft Condensed Matter · Physics 2007-05-23 Aleksey D. Drozdov , Yitzhak Rabin

We discuss a semi-implicit numerical scheme that allows for minimizing the bending energy of curves within certain isotopy classes. To this end we consider a weighted sum of the bending energy and the tangent-point functional. Based on…

Numerical Analysis · Mathematics 2018-04-09 Sören Bartels , Philipp Reiter

We study the fillability (or embeddability) of $CR$ structures under the gauge-fixed Cartan flow. We prove that if the initial $CR$ structure is fillable with nowhere vanishing Tanaka-Webster curvature and free torsion, then it keeps having…

Differential Geometry · Mathematics 2007-05-23 Jih-Hsin Cheng

We prove that, in the limit of vanishing thickness, equilibrium configurations of inhomogeneous, three-dimensional non-linearly elastic rods converge to equilibrium configurations of the variational limit theory. More precisely, we show…

Analysis of PDEs · Mathematics 2017-07-17 Matthäus Pawelczyk

We use variational convergence to derive a hierarchy of one-dimensional rod theories, starting out from three-dimensional models in nonlinear elasticity subject to local volume-preservation. The densities of the resulting $\Gamma$-limits…

Analysis of PDEs · Mathematics 2020-02-25 Dominik Engl , Carolin Kreisbeck

The stability of graphene nanoribbons in the presence of typical atmospheric molecules is systematically investigated by means of density functional theory. We calculate the edge formation free energy of five different edge configurations…

Mesoscale and Nanoscale Physics · Physics 2015-05-19 M. Vanin , J. Gath , K. S. Thygesen , K. W. Jacobsen

We present an extended study of finite-width zigzag graphene ribbons (ZGRs) based on a tight-binding model with hard-wall boundary conditions. We provide an exact analytic solution that clarifies the origin of the predicted width dependence…

Materials Science · Physics 2015-05-14 Mahdi Zarea , Nancy Sandler

In this paper we study the $L^2$-gradient flow of the penalized elastic energy on networks of $q$-curves in $\R^{n}$ for $q \geq 3$. Each curve is fixed at one end-point and at the other is joint to the other curves at a movable…

Analysis of PDEs · Mathematics 2020-11-26 Anna Dall'Acqua , Chun-Chi Lin , Paola Pozzi

Optical selection rules for one-dimensional graphene nanoribbons are analytically studied and clarified based on the tight-binding model. A theoretical explanation, through analyzing the velocity matrix elements and the features of…

Mesoscale and Nanoscale Physics · Physics 2011-11-03 H. C. Chung , M. H. Lee , C. P. Chang , M. F. Lin

In this Letter, we put forward a resolution to the prolonged ambiguity in energy band gaps between theory and experiments of fabricated graphene nanoribbons (GNRs). Band structure calculations using density functional theory are performed…

Mesoscale and Nanoscale Physics · Physics 2016-10-11 Deepika , T. J. Dhilip Kumar , Alok Shukla , Rakesh Kumar

A new type of knot energy is presented via real life experiments involving a thin resilient metallic tube. Knotted in different ways, the device mechanically acquires a uniquely determined (up to isometry) normal form at least when the…

Geometric Topology · Mathematics 2015-05-20 A. B. Sossinsky

Boundary conditions for the two-dimensional fermions in ribbons of the hexagonal lattice are studied in the dice model whose energy spectrum in infinite system consists of three bands with one completely flat band of zero energy. Like in…

Strongly Correlated Electrons · Physics 2019-01-15 D. O. Oriekhov , E. V. Gorbar , V. P. Gusynin