Mechanics of carbon nanotubes

D Qian, GJ Wagner, and, WK Liu… - Appl. Mech …, 2002 - asmedigitalcollection.asme.org
Soon after the discovery of carbon nanotubes, it was realized that the theoretically predicted
mechanical properties of these interesting structures–including high strength, high stiffness …

Review of force fields and intermolecular potentials used in atomistic computational materials research

JA Harrison, JD Schall, S Maskey, PT Mikulski… - Applied Physics …, 2018 - pubs.aip.org
Molecular simulation is a powerful computational tool for a broad range of applications
including the examination of materials properties and accelerating drug discovery. At the …

A reactive potential for hydrocarbons with intermolecular interactions

SJ Stuart, AB Tutein, JA Harrison - The Journal of chemical physics, 2000 - pubs.aip.org
A potential function is presented that can be used to model both chemical reactions and
intermolecular interactions in condensed-phase hydrocarbon systems such as liquids …

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

DW Brenner, OA Shenderova… - Journal of Physics …, 2002 - iopscience.iop.org
A second-generation potential energy function for solid carbon and hydrocarbon molecules
that is based on an empirical bond order formalism is presented. This potential allows for …

Mechanical properties of carbon nanotubes: theoretical predictions and experimental measurements

RS Ruoff, D Qian, WK Liu - Comptes …, 2003 - comptes-rendus.academie-sciences …
Mechanical properties of carbon nanotubes: theoretical predictions and experimental
measurements À propos Notre revue Équipe éditoriale Les CR Physique en libre accès diamant …

[책][B] Coarse-graining of condensed phase and biomolecular systems

GA Voth - 2008 - taylorfrancis.com
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and
Biomolecular Systems examines systematic ways of constructing coarse-grained …

[책][B] Handbook of nanoscience, engineering, and technology

WA Goddard III, D Brenner, SE Lyshevski, GJ Iafrate - 2002 - taylorfrancis.com
Nanotechnology, science, and engineering spearhead the 21st century revolution that is
leading to fundamental breakthroughs in the way materials, devices, and systems are …

Equilibrium configuration and continuum elastic properties of finite sized graphene

CD Reddy, S Rajendran, KM Liew - Nanotechnology, 2006 - iopscience.iop.org
This paper presents a continuum mechanics approach to modelling the elastic deformation
of finite graphene sheets based on Brenner's potential. The potential energy of the graphene …

Finite crystal elasticity of carbon nanotubes based on the exponential Cauchy-Born rule

M Arroyo, T Belytschko - Physical Review B, 2004 - APS
A finite deformation continuum theory is derived from interatomic potentials for the analysis
of the mechanics of carbon nanotubes. This nonlinear elastic theory is based on an …

Experimental and computational physics of fullerenes and their nanocomposites: Synthesis, thermo-mechanical characteristics and nanomedicine applications

E Ghavanloo, H Rafii-Tabar, A Kausar… - Physics Reports, 2023 - Elsevier
It is an established paradigm in the emerging fields of nanoscience, nanotechnology and
molecular engineering that a very important domain of fundamental research is associated …