Journal
JOURNAL OF COMPUTATIONAL AND THEORETICAL NANOSCIENCE
Volume 12, Issue 2, Pages 168-174Publisher
AMER SCIENTIFIC PUBLISHERS
DOI: 10.1166/jctn.2015.3710
Keywords
Molecular Dynamics; Phonons; Electron Phonon Couplings; Thermal Interface Conductance; Aluminum and Silicon; Atomic Level Disorder
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Funding
- Solid State Solar-Thermal Energy Conversion Center (S3TEC), an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences [DE-SC0001299/DE-FG02-09ER46577]
- National University of Singapore [R-144-000-300-112]
- Tongji University
- Natural Science Foundation of China [11334007, 11204216]
- Shanghai Pujiang program
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The thermal interface conductance between Al and Si was simulated by a non-equilibrium molecular dynamics method. In the simulations, the coupling between electrons and phonons in Al are considered by using a stochastic force. The results show the size dependence of the interface thermal conductance and the effect of electron phonon coupling on the interface thermal conductance. To understand the mechanism of interface resistance, the vibration power spectra are calculated. We find that the atomic level disorder near the interface is an important aspect of interfacial phonon transport, which leads to a modification of the phonon states near the interface. There, the vibrational spectrum near the interface greatly differs from the bulk. This change in the vibrational spectrum affects the results predicted by AMM and DMM theories and indicates new physics is involved with phonon transport across interfaces.
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