| Literature DB >> 29662335 |
Robert B Hudson1, Alok Sinha1.
Abstract
Order reduction methods are widely used to reduce computational effort when calculating the impact of defects on the vibrational properties of nearly periodic structures in engineering applications, such as a gas-turbine bladed disc. However, despite obvious similarities these techniques have not yet been adapted for use in analysing atomic structures with inevitable defects. Two order reduction techniques, modal domain analysis and modified modal domain analysis, are successfully used in this paper to examine the changes in vibrational frequencies, mode shapes and mode localization caused by defects in carbon nanotubes. The defects considered are isotope defects and Stone-Wales defects, though the methods described can be extended to other defects.Entities:
Keywords: atomistic simulation; carbon nanotube; defect; reduced-order model; vibrational analysis
Year: 2018 PMID: 29662335 PMCID: PMC5897753 DOI: 10.1098/rspa.2017.0555
Source DB: PubMed Journal: Proc Math Phys Eng Sci ISSN: 1364-5021 Impact factor: 2.704