Molecular dynamics simulation has been used in exploring the crystal nucleation behaviour of a single chain touching a substrate surface. It shows that a polyethylene chain (980 CH,) changed its overall shape from an isotropic coil to an oriented one in the case of touching a substrate surface of am
Multiaxial behavior of nanoporous single crystal copper: a molecular dynamics study
โ Scribed by Kejie Zhao; Liangliang Fan; Changqing Chen
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 590 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0894-9166
No coin nor oath required. For personal study only.
โฆ Synopsis
The stress-strain behavior and incipient yield surface of nanoporous single crystal copper are studied by the molecular dynamics (MD) method. The problem is modeled by a periodic unit cell subject to multi-axial loading. The loading induced defect evolution is explored. The incipient yield surfaces are found to be tension-compression asymmetric. For a given void volume fraction, apparent size effects in the yield surface are predicted: the smaller behaves stronger. The evolution pattern of defects (i.e., dislocation and stacking faults) is insensitive to the model size and void volume fraction. However, it is loading path dependent. Squared prismatic dislocation loops dominate the incipient yielding under hydrostatic tension while stacking-faults are the primary defects for hydrostatic compression and uniaxial tension/compression.
๐ SIMILAR VOLUMES
The empirical tight-binding molecular dynamic simulations of Cu O are performed. It is shown that the atomic and electronic 4 structure can be calculated reasonably with this kind of TB model and repulsive potentials used in this paper. The calculated structures are in good agreement with the result
Molecular dynamics simulation was carried out to investigate the behavior of (5,5) and (10,10) armchair carbon nanotubes in water under tensile loading. The water molecules inside a nanoscale tube, unlike inside a bulk tube, have a confined effect. The local density distributions of oxygen and hydro
Understanding the mechanical properties of multilayered metal thin films is very important for their applications in nanoscale devices. Nanoindentation is one of the widely used tools for examining the mechanical properties of metal thin films. In the present study, molecular dynamics simulation was