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Molecular-dynamics calculation of the thermal conductivity of vitreous silica
Open accessAbstract
We use extensive classical molecular-dynamics simulations to calculate the thermal conductivity of a model silica glass. Apart from the potential parameters, this is done with no other adjustable quantity and the standard equations of heat transport are used directly in the simulation box. The calculations have been done between 10 and 1000 K and the results are in good agreement with the experimental data at temperatures above 20 K. The plateau observed around 10 K can be accounted for by correcting our results taking into account finite-size effects in a phenomenological way.
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Cites
Thermal Conductivity and Specific Heat of Noncrystalline Solids
Zeller, R. C., & Pohl, R. O. (1971) · Physical Review B · doi:10.1103/physrevb.4.2029 · Cited by 1,954
Thermal conductivity of amorphous solids above the plateau
Cahill, D. G., & Pohl, R. O. (1987) · Physical Review B · doi:10.1103/physrevb.35.4067 · Cited by 813
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Ultralow Thermal Conductivity in Disordered, Layered WSe 2 Crystals
Chiritescu, C., Cahill, D. G., Nguyen, N., Johnson, D., Bodapati, A., Keblinski, P., & Zschack, P. (2007) · Science · doi:10.1126/science.1136494 · Cited by 854
Effect of liquid layering at the liquid–solid interface on thermal transport
Xue, L., Keblinski, P., Phillpot, S. R., Choi, S. U.-S., & Eastman, J. A. (2004) · International Journal of Heat and Mass Transfer · doi:10.1016/j.ijheatmasstransfer.2004.05.016 · Cited by 494
Fan, Z., Pereira, L. F. C., Wang, H.-Q., Zheng, J.-C., Donadio, D., & Harju, A. (2015) · Physical Review B · doi:10.1103/physrevb.92.094301 · Cited by 318
Phonon Transport in Molecular Dynamics Simulations: Formulation and Thermal Conductivity Prediction
McGaughey, A. J. H., & Kaviany, M. (2006) · Advances in Heat Transfer · doi:10.1016/s0065-2717(06)39002-8 · Cited by 273
Metadata
- Authors
- Jund, P., & Jullien, R.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 1999-06-01
- Volume
- 59
- Issue
- 21
- Pages
- 13707-13711
- ISSN
- 0163-1829 (ISSN-L)
- 1095-3795
- OpenAlex
- W2046816227
- Cited by
- 497
- References
- 2
- FWCI
- 7.15
- Type
- journal article
- Language
- en
- Open access
- green
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- Jund, P., & Jullien, R. (1999). Molecular-dynamics calculation of the thermal conductivity of vitreous silica. Physical Review B. https://doi.org/10.1103/physrevb.59.13707
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
