Carbon nanostructures

OA Shenderova, VV Zhirnov… - Critical reviews in solid …, 2002 - Taylor & Francis
An overview of the various carbon structures with characteristic sizes in the nanoscale
region is presented, with special attention devoted to the structures and properties of …

Interatomic potentials: Achievements and challenges

MH Müser, SV Sukhomlinov, L Pastewka - Advances in Physics: X, 2023 - Taylor & Francis
Interatomic potentials approximate the potential energy of atoms as a function of their
coordinates. Their main application is the effective simulation of many-atom systems. Here …

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 …

Size and chirality dependent elastic properties of graphene nanoribbons under uniaxial tension

H Zhao, K Min, NR Aluru - Nano letters, 2009 - ACS Publications
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 …

Measurements of near-ultimate strength for multiwalled carbon nanotubes and irradiation-induced crosslinking improvements

B Peng, M Locascio, P Zapol, S Li, SL Mielke… - Nature …, 2008 - nature.com
The excellent mechanical properties of carbon nanotubes are being exploited in a growing
number of applications from ballistic armour to nanoelectronics. However, measurements of …

Atomistic simulations of nanotube fracture

T Belytschko, SP **ao, GC Schatz, RS Ruoff - Physical Review B, 2002 - APS
The fracture of carbon nanotubes is studied by molecular mechanics simulations. The
fracture behavior is found to be almost independent of the separation energy and to depend …

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 …

Temperature and strain-rate dependent fracture strength of graphene

H Zhao, NR Aluru - Journal of Applied Physics, 2010 - pubs.aip.org
We investigate the variation in fracture strength of graphene with temperature, strain rate,
and crack length using molecular dynamics (MD) simulations, kinetic analysis of fracture …

[책][B] Ultrananocrystalline diamond: synthesis, properties and applications

OA Shenderova, DM Gruen - 2012 - books.google.com
Ultrananocrystalline Diamond: Synthesis, Properties, and Applications is a unique practical
reference handbook. Written by the leading experts worldwide it introduces the science of …

[HTML][HTML] Multi-layer graphene reinforced aluminum–manufacturing of high strength composite by friction stir alloying

S Dixit, A Mahata, DR Mahapatra, SV Kailas… - Composites Part B …, 2018 - Elsevier
The paper reports manufacturing of a multi-layer graphene embedded composite of
aluminium alloys by direct exfoliation of graphite into graphene with the help of Friction Stir …