Colloquium: Modeling friction: From nanoscale to mesoscale
The physics of sliding friction is gaining impulse from nanoscale and mesoscale
experiments, simulations, and theoretical modeling. This Colloquium reviews some recent …
experiments, simulations, and theoretical modeling. This Colloquium reviews some recent …
Mechanics of carbon nanotubes
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 …
mechanical properties of these interesting structures–including high strength, high stiffness …
[HTML][HTML] Ion and electron irradiation-induced effects in nanostructured materials
AV Krasheninnikov, K Nordlund - Journal of applied physics, 2010 - pubs.aip.org
A common misconception is that the irradiation of solids with energetic electrons and ions
has exclusively detrimental effects on the properties of target materials. In addition to the …
has exclusively detrimental effects on the properties of target materials. In addition to the …
Atomic cluster expansion for quantum-accurate large-scale simulations of carbon
We present an atomic cluster expansion (ACE) for carbon that improves over available
classical and machine learning potentials. The ACE is parametrized from an exhaustive set …
classical and machine learning potentials. The ACE is parametrized from an exhaustive set …
Crystalline ropes of metallic carbon nanotubes
Fullerene single-wall nanotubes (SWNTs) were produced in yields of more than 70 percent
by condensation of a laser-vaporized carbon-nickel-cobalt mixture at 1200° C. X-ray …
by condensation of a laser-vaporized carbon-nickel-cobalt mixture at 1200° C. X-ray …
Construction of tight-binding-like potentials on the basis of density-functional theory: Application to carbon
D Porezag, T Frauenheim, T Köhler, G Seifert… - Physical Review B, 1995 - APS
We present a density-functional-based scheme for determining the necessary parameters of
common nonorthogonal tight-binding (TB) models within the framework of the linear …
common nonorthogonal tight-binding (TB) models within the framework of the linear …
Size and chirality dependent elastic properties of graphene nanoribbons under uniaxial tension
We investigate the mechanical strength and properties of graphene under uniaxial tensile
test as a function of size and chirality using the orthogonal tight-binding method and …
test as a function of size and chirality using the orthogonal tight-binding method and …
Diameter-selective Raman scattering from vibrational modes in carbon nanotubes
AM Rao, E Richter, S Bandow, B Chase, PC Eklund… - Science, 1997 - science.org
Single wall carbon nanotubes (SWNTs) that are found as close-packed arrays in crystalline
ropes have been studied by using Raman scattering techniques with laser excitation …
ropes have been studied by using Raman scattering techniques with laser excitation …
Molecular geometry optimization with a genetic algorithm
DM Deaven, KM Ho - Physical review letters, 1995 - APS
We present a method for reliably determining the lowest energy structure of an atomic
cluster in an arbitrary model potential. The method is based on a genetic algorithm, which …
cluster in an arbitrary model potential. The method is based on a genetic algorithm, which …
Hybridization effects and metallicity in small radius carbon nanotubes
Hybridization of the σ* and π* states of the graphene network is shown to be as important as
band-folding effects in determining the metallicity of small radius carbon nanotubes. Using …
band-folding effects in determining the metallicity of small radius carbon nanotubes. Using …