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Metal catalysts supporting the growth of Single Wall Carbon Nanotubes display different carbon solubilities and chemical reactivities. In order to specifically assess the role of carbon solubility, we take advantage of the physical…

Materials Science · Physics 2017-02-23 Juan-Manuel Aguiar-Hualde , Yann Magnin , Hakim Amara , Christophe Bichara

The curvature effects in carbon nanotubes are studied analytically as a function of chirality. The pi-orbitals are found to be significantly rehybridized in all tubes, so that they are never normal to the tubes' surface. This results in a…

Strongly Correlated Electrons · Physics 2009-11-07 Alex Kleiner , Sebastian Eggert

It is shown by the method of molecular dynamics using a chain model that a multilayer packaging of identical single-walled carbon nanotubes with a diameter of D>2.5 nm located on a flat substrate is a multistable system. The system has many…

Mesoscale and Nanoscale Physics · Physics 2022-03-14 Alexander V. Savin

The stability of a single-walled carbon nanotube placed on top of a catalytic nickel nanoparticle is investigated by means of molecular dynamics simulations. As a case study, we consider the $(12,0)$ nanotube consisting of 720 carbon atoms…

Chemical Physics · Physics 2016-10-07 Alexey V. Verkhovtsev , Stefan Schramm , Andrey V. Solov'yov

The high aspect ratio of carbon nanotubes makes them prone to bending. To know how bending affects the tubes is therefore crucial for tube identification and for electrical component design. Very few studies, however, have investigated…

Mesoscale and Nanoscale Physics · Physics 2010-11-24 Pekka Koskinen

Chirality-selected single-walled carbon nanotubes (SWCNTs) ensure a great potential of building ~1 nm sized electronics. However, the reliable method for chirality-selected SWCNT is still pending. Here we present a theoretical study on the…

Mesoscale and Nanoscale Physics · Physics 2014-03-28 Ziwei Xu , Tianying Yan , Feng Ding

The carbon rich phase diagrams of nickel-carbon nanoparticles, relevant to catalysis and catalytic chemical vapor deposition synthesis of carbon nanotubes, are calculated for system sizes up to about 3 nanometers (807 Ni atoms). A tight…

Atomic and Molecular Clusters · Physics 2015-06-11 Yann Magnin , Alexandre Zappelli , Hakim Amara , François Ducastelle , Christophe Bichara

Macroscopic fibers of carbon nanotubes (CNT) have emerged as an ideal architecture to exploit the exceptional properties of CNT building blocks in applications ranging from energy storage to reinforcement in structural composites.…

The objective of the present paper is to investigate the mechanical properties of carbon nanotubes. We use classical molecular dynamics simulation in order to study the effect of external compression, bending and torsion to nanotubes. We…

Mesoscale and Nanoscale Physics · Physics 2014-11-27 N. Stefanakis

Controlled growth, patterning and placement of carbon nanotube (CNT) thin films for electronic applications are demonstrated. The density of CNT films is controlled by optimizing the feed gas composition as well as the concentration of…

Materials Science · Physics 2015-05-18 V. K. Sangwan , V. W. Ballarotto , D. R. Hines , M. S. Fuhrer , E. D. Williams

Single-walled carbon nanotubes (SWCNTs) are promising for nanoscale electronics and photonics, but practical deployment requires chirality control. Most catalytic chemical vapor deposition (CCVD) growth of SWCNTs proceeds on liquid metal…

Materials Science · Physics 2026-02-20 Daniel Hedman

Performance improvements are expected from integration of photonic devices into information processing systems, and in particular, all-optical memories provide a key functionality. Scaling down the size of memory elements is desirable for…

Mesoscale and Nanoscale Physics · Physics 2018-08-24 T. Uda , A. Ishii , Y. K. Kato

Tensile tests at room temperature are performed using molecular dynamics on all configurations of single-walled carbon nanotubes up to 4 nm in diameter. Distributions of the Young's modulus, Poisson's ratio, ultimate tensile strength and…

Applied Physics · Physics 2021-09-08 Marko Canadija

Three-dimensional (3D) magnetic nanostructures offer unprecedented opportunities for engineering emergent spin textures, but controlling their configuration remains a central challenge. Here we show that conformally coated Ni Nanotubes…

Mesoscale and Nanoscale Physics · Physics 2025-12-16 Alexander Roberts , Huixin Guo , Joseph Askey , Vani Lanka , Arjen van den Berg , Dirk Grundler , Sam Ladak

Given the high potential for applications utilizing the unique properties of single-walled carbon nanotubes (SWCNTs), there is considerable enthusiasm for addressing the challenges associated with synthesizing SWCNTs with specific…

Computational Physics · Physics 2025-11-06 Ikuma Kohata , Ryo Yoshikawa , Kaoru Hisama , Christophe Bichara , Keigo Otsuka , Shigeo Maruyama

From resonant Raman scattering on isolated nanotubes we obtained the optical transition energies, the radial breathing mode frequency and Raman intensity of both metallic and semiconducting tubes. We unambiguously assigned the chiral index…

Materials Science · Physics 2009-11-10 H. Telg , J. Maultzsch , S. Reich , F. Hennrich , C. Thomsen

Understanding the role of cap structure during the nucleation and growth of single-walled carbon nanotubes (SWCNTs) is essential for achieving chirality-controlled synthesis. In this work, we propose a novel and intuitive algorithm to…

Materials Science · Physics 2025-11-06 Tianliang Feng , Ziwei Xu

During the catalytic synthesis of graphene, nanotubes, fibers, and other nanostructures, many intriguing phenomena occur, such as phase separation, precipitation, and analogs of capillary action. We demonstrate that catalytic nanoparticles…

Mesoscale and Nanoscale Physics · Physics 2018-04-11 Pin Ann Lin , Bharath Natarajan , Michael Zwolak , Renu Sharma

Using pre-designed trains of femtosecond optical pulses, we have selectively excited coherent phonons of the radial breathing mode of specific-chirality single-walled carbon nanotubes within an ensemble sample. By analyzing the initial…

Nanotubes show great promise for miniaturizing advanced technologies. Their exceptional physical properties are intimately related to their morphological and crystal structure. Circumferential faceting of multiwalled nanotubes reinforces…

Mesoscale and Nanoscale Physics · Physics 2022-06-15 Itai Leven , Roberto Guerra , Andrea Vanossi , Erio Tosatti , Oded Hod