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We derive an effective low-energy theory for metallic (armchair and non-armchair) single-wall nanotubes in the presence of an electric field perpendicular to the nanotube axis, and in the presence of magnetic fields, taking into account…

Mesoscale and Nanoscale Physics · Physics 2011-11-15 Jelena Klinovaja , Manuel J. Schmidt , Bernd Braunecker , Daniel Loss

The electronic structure of finite-length armchair carbon nanotubes has been studied using several ab-initio and semi-empirical quantum computational techniques. The additional confinement of the electrons along the tube axis leads to the…

Materials Science · Physics 2007-05-23 Alain Rochefort , Dennis R. Salahub , Phaedon Avouris

Non-Uniform Rational B-Spline (NURBS) surfaces are commonly used within Computer-Aided Design (CAD) tools to represent geometric objects. When using isogeometric analysis (IGA), it is possible to use such NURBS geometries for numerical…

Computational Engineering, Finance, and Science · Computer Science 2022-03-31 Michel Make , Thomas Spenke , Norbert Hosters , Marek Behr

Quantum sensing techniques have been successful in pushing the sensitivity limits in numerous fields, and hold great promise for scanning probes that study nano-scale devices and novel materials. However, forming a nano-scale qubit that is…

Mesoscale and Nanoscale Physics · Physics 2019-08-23 Ilya Khivrich , Shahal Ilani

We propose a method of trapping atoms in arrays near to the surface of a composite nanophotonic device with optimal coupling to a single cavity mode. The device, comprised of a nanofiber mounted on a grating, allows the formation of…

Quantum Physics · Physics 2017-06-28 Mark Sadgrove , Kali P. Nayak

We investigate many-body effects near the edge of a single-walled carbon nanotube and find it turns magnetic with quantized edge moment solely depends on the chiral vector, i.e. the topology of the carbon nanotube. The distribution of the…

Mesoscale and Nanoscale Physics · Physics 2010-07-08 Horng-Tay Jeng , Masaki Oshikawa , Hsiu-Hau Lin

This paper applies a symmetry-adapted method to examine the influence of deformation and defects on the electronic structure and band structure in carbon nanotubes. First, the symmetry-adapted approach is used to develop the analog of Bloch…

Mesoscale and Nanoscale Physics · Physics 2020-09-09 Soumya Mukherjee , Hossein Pourmatin , Yang Wang , Timothy Breitzman , Kaushik Dayal

Modeling membrane interactions with arbitrarily shaped colloidal particles, such as environmental micro- and nanoplastics, at the cell scale remains particularly challenging, owing to the complexity of particle geometries and the need to…

Soft Condensed Matter · Physics 2025-09-15 Didarul Ahasan Redwan , Justin Reicher , Xin Yong

Magnetic carbon nanostructures are currently under scrutiny for a wide spectrum of applications. Here, we theoretically investigate armchair graphene nanoribbons patterned with asymmetric edge extensions consisting of laterally fused…

Mesoscale and Nanoscale Physics · Physics 2021-02-11 Michele Pizzochero , Efthimios Kaxiras

This paper proposes an isogeometric boundary element method (IGBEM) to solve the electromagnetic scattering problems for three-dimensional doubly-periodic multi-layered structures. The main concerns are the constructions of (i) an open…

Numerical Analysis · Mathematics 2021-10-28 Toru Takahashi , Tetsuro Hirai , Hiroshi Isakari , Toshiro Matsumoto

Graphene nanoribbon folds with single and double closed edges are studied using density functional theory methods. Van der Waals dispersive interactions are included via semi-empirical pairwise optimized potential. The geometrical phases of…

Materials Science · Physics 2013-05-09 Nam B. Le , Lilia M. Woods

In this paper, we propose a combined modeling of molecular mechanics (MM) and the tight-binding (TB) approach, which enables us to study the effect of factors such as external local forces, constraints, and vacancy defects on electronic…

Computational Physics · Physics 2021-03-11 Mahnoosh Rostami , Isa Ahmadi , Farhad Khoeini

Wide variety of engineering design tasks can be formulated as constrained optimization problems where the shape and topology of the domain are optimized to reduce costs while satisfying certain constraints. Several mathematical approaches…

Optimization and Control · Mathematics 2015-03-10 Igor Ostanin , Denis Zorin , Ivan Oseledets

This study presents a simulation approach for three-dimensional nanotube networks using cubic and tetragonal unit cells to enhance modeling efficiency. A random-walk algorithm was developed to generate these networks, which were analyzed in…

Computational Physics · Physics 2025-01-29 Fabian Gumpert , Dominik Eitel , Olaf Kottas , Uta Helbig , Jan Lohbreier

I present a direct and intuitive eigenmode method that evaluates the near-field enhancement around the surface of metallic nanoparticles of arbitrary shape. The method is based on the boundary integral equation in the electrostatic limit.…

Mesoscale and Nanoscale Physics · Physics 2013-05-30 Titus Sandu

Electrospinning technologies for the realization of active polymeric nanomaterials can be easily up-scaled, opening perspectives to industrial exploitation, and due to their versatility they can be employed to finely tailor the size,…

Following our recent development of the paradigm for extending the classic concepts of circuit elements to the infrared and optical frequencies [N. Engheta, A. Salandrino, A. Alu, Phys. Rev. Lett. 95, 095504 (2005)], in this paper we…

Materials Science · Physics 2009-11-13 Alessandro Salandrino , Andrea Alu , Nader Engheta

We develop a boundary integral equation-based numerical method to solve for the electrostatic potential in two dimensions, inside a medium with piecewise constant conductivity, where the boundary condition is given by the complete electrode…

Numerical Analysis · Mathematics 2024-03-28 Teemu Tyni , Adam R Stinchcombe , Spyros Alexakis

A powerful technique is introduced for simulating mechanical and electromechanical properties of one-dimensional nanostructures under arbitrary combinations of bending, twisting, and stretching. The technique is based on a novel control of…

Mesoscale and Nanoscale Physics · Physics 2016-09-28 Pekka Koskinen

We investigate the low-lying excitation spectrum and ground-state properties of narrow graphene nanoribbons with zigzag edge configurations. Nanoribbons of comparable widths have been synthesized very recently [P. Ruffieux, \emph{et al.}…

Strongly Correlated Electrons · Physics 2016-10-21 I. Hagymasi , O. Legeza