Related Experiment Video
Updated: Jul 17, 2026

Probing C84-embedded Si Substrate Using Scanning Probe Microscopy and Molecular Dynamics
Published on: September 28, 2016
Computational modeling of the effective Young's modulus values of fullerene molecules: a combined molecular dynamics
Esmaeal Ghavanloo1, Razie Izadi2, Ali Nayebi2
1School of Mechanical Engineering, Shiraz University, Shiraz, 71963-16548, Iran. ghavanloo@shirazu.ac.ir.
Abstract:
Estimating the Young's modulus of a structure in the nanometer size range is a difficult task. The reliable determination of this parameter is, however, important in both basic and applied research. In this study, by combining molecular dynamics (MD) simulations and continuum shell theory, we designed a new approach to determining the Young's modulus values of different spherical fullerenes. The results indicate that the Young's modulus values of fullerene molecules decrease nonlinearly with increasing molecule size and understandably tend to the Young's modulus of an ideal flat graphene sheet at large molecular radii. To the best of our knowledge, this is first time that a combined atomistic-continuum method which can predict the Young's modulus values of fullerene molecules with high precision has been reported.
More Related Videos
Related Concept Videos
Molecular Models
Indeterminate Structure
Hooke's Law
Generalized Hooke's Law
Bending of Members Made of Several Materials
Hooke's Law determines stress in each material, stating that stress is proportional to strain but varies due to each material's...
Dynamic Modulus of Elasticity of Concrete
The sonic test is a common method to determine the dynamic modulus. In this test, a concrete beam, sized either 6 x 6 x 30 inches or 4 x 4 x 20 inches, is clamped at its center. Vibrations are initiated at one end of the beam by an electromagnetic exciter unit powered by a...

