Lattice Thermal Conductivity of Pristine Si Nanowires - Classical Nonequilibrium Molecular Dynamics Study
At a Glance
Section titled āAt a Glanceā| Metadata | Details |
|---|---|
| Publication Date | 2017-03-22 |
| Journal | Nanoscale and Microscale Thermophysical Engineering |
| Authors | Minkyu Park, YongāSung Kim |
| Institutions | Korea Research Institute of Standards and Science, Korea University of Science and Technology |
| Citations | 3 |
Abstract
Section titled āAbstractāWe investigate lattice thermal conductivities of Si nanowires (SiNWs) based on classical nonequilibrium molecular dynamics (NEMD) simulations. The SiNWs are supposed to have a crystalline diamond structure and extend along the [001] axial direction with the {100} sidewall facets on which the surface Si atoms are all dimerized and fully passivated by hydrogen. Various sizes in the square cross section are considered, and the lengths are varied to find the diffusive limits of the lattice thermal conductivities. The upper limits of the diffusive lattice thermal conductivities of SiNWs are 11.2, 16.0, 22.8, and 28.0 W/mK for SiNWs with widths of 2.7, 4.9, 8.1, and 11.3 nm, respectively. The mode-averaged mean free paths of phonons are 50, 52, 63, and 80 nm for the SiNWs, respectively, which are 7-19 times longer than the SiNW widths.