The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Spectral Phonon Transport Properties of Silicon Based on Molecular Dynamics Simulations and Lattice Dynamics
Abstract
Although the thermal conductivity of silicon has been studied before, current estimations for the phonon mean free paths have not provided full explanation of the strong size effects experimentally observed for various silicon micro and nanostructures. Since phonon relaxation time models are mostly semi-empirical, the mean free paths cannot be determined reliably and questions remain as to which polarizations, frequencies and wavelengths are dominant heat carriers. Here we have used a combination of equilibrium molecular dynamics simulations and lattice dynamics calculations to fully detail the spectral dependence of phonon transport properties in bulk silicon. By considering the frequency dependence of the specific heat, group velocities and mean free paths, we address these unresolved questions and examine the errors associated with isotropic and frequency averaged approximations. Simulation details, such as the convergence of results on the simulation time and extraction of phonon transport properties in different crystallographic directions, are also discussed.
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“Our discovery that micron-long MFPs contribute substantially to k at room temperature and above suggests that silicon-based devices may have thermal management challenges in structures much larger than traditionally expected 10,12 .”
From Broadband phonon mean free path contributions to thermal conductivity measured using frequency domain thermoreflectance (2013) · cites this paper as [10]
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Srivastava, G. P., & Kresin, V. Z. (1991) · Physics Today · doi:10.1063/1.2810367 · Cited by 538
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Bulk nanostructured thermoelectric materials: current research and future prospects
Minnich, A. J., Dresselhaus, M. S., Ren, Z., & Chen, G. (2009) · Energy & Environmental Science · doi:10.1039/b822664b · Cited by 2,000
Self-citationPerspectives on thermoelectrics: from fundamentals to device applications
Zebarjadi, M., Esfarjani, K., Dresselhaus, M. S., Ren, Z., & Chen, G. (2011) · Energy & Environmental Science · doi:10.1039/c1ee02497c · Cited by 1,367
Self-citationEnergy dissipation and transport in nanoscale devices
Pop, E. (2010) · Nano Research · doi:10.1007/s12274-010-1019-z · Cited by 1,269
The panoscopic approach to high performance thermoelectrics
Zhao, L., Dravid, V. P., & Kanatzidis, M. G. (2013) · Energy & Environmental Science · doi:10.1039/c3ee43099e · Cited by 1,004
Enhancement of Thermoelectric Figure‐of‐Merit by a Bulk Nanostructuring Approach
Lan, Y., Minnich, A. J., Chen, G., & Ren, Z. (2009) · Advanced Functional Materials · doi:10.1002/adfm.200901512 · Cited by 898
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Metadata
- Authors
- Henry, A. S., & Chen, G.
- Affiliations
- Massachusetts Institute of Technology (US)
- Venue
- Journal of Computational and Theoretical Nanoscience
- Publisher
- American Scientific Publishers
- Published
- 2008-02-01
- Volume
- 5
- Issue
- 2
- Pages
- 141-152
- ISSN
- 1546-1955 (ISSN-L)
- 1546-1963
- OpenAlex
- W1674528819
- Cited by
- 391
- References
- 1
- Citations by year
- 2026: 6 · 2025: 11 · 2024: 11 · 2023: 11 · 2022: 13 · 2021: 19 · 2020: 12 · 2019: 31 · 2018: 25 · 2017: 32 · 2016: 33 · 2015: 33 · 2014: 33 · 2013: 36 · 2012: 26
- FWCI
- 9.86
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Journal of Computational and Theoretical Nanoscience (publishedVersion)
- Funders
- U.S. Department of Energy
- National Aeronautics and Space Administration
- Intel Corporation
- Topics
- Physical Sciences › Materials Science › Materials Chemistry › Thermal properties of materials
- Physical Sciences › Engineering › Mechanics of Materials › Thermoelastic and Magnetoelastic Phenomena
- Physical Sciences › Engineering › Civil and Structural Engineering › Thermal Radiation and Cooling Technologies
- Keywords
- silicon, phonon transport, thermal conductivity, phonon mean free path, phonon relaxation time, size effect, phonon group velocity, phonon specific heat, frequency dependence, anisotropy, lattice dynamics, molecular dynamics
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