Journal
PHYSICAL REVIEW E
Volume 86, Issue 3, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.86.031107
Keywords
-
Categories
Funding
- MIDE research program of Aalto University
Ask authors/readers for more resources
We perform classical nonequilibrium molecular dynamics simulations to calculate heat flow through a microscopic junction connecting two larger reservoirs. In contrast to earlier papers, we also include the reservoirs in the simulated region to study the effect of the bulk-nanostructure interfaces and the bulk conductance. The scalar Fermi-Pasta-Ulam (FPU) model is used to describe the effects of anharmonic interactions in a simple manner. The temperature profile close to the junction in the low-temperature limit is shown to exhibit strong directional features that fade out when temperature increases. Simulating both the FPU chain and the two bulk regions is also shown to eliminate the nonmonotonous temperature variations found for simpler geometries and models. We show that, with sufficiently large reservoirs, the temperature profile in the chain does not depend on the details of thermalization used at the boundaries.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available