Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High Temperatures
We consider the problem of heat transport by vibrational modes between Langevin thermostats connected by a central device. The latter is anharmonic and can be subject to large temperature difference and thus be out of equilibrium. We develop a classical formalism based on the equation of motion meth...
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| Format: | Article |
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MDPI AG
2021-12-01
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| Series: | Entropy |
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| Online Access: | https://www.mdpi.com/1099-4300/23/12/1630 |
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| author | Keivan Esfarjani |
| author_facet | Keivan Esfarjani |
| author_sort | Keivan Esfarjani |
| collection | DOAJ |
| description | We consider the problem of heat transport by vibrational modes between Langevin thermostats connected by a central device. The latter is anharmonic and can be subject to large temperature difference and thus be out of equilibrium. We develop a classical formalism based on the equation of motion method, the fluctuation–dissipation theorem and the Novikov theorem to describe heat flow in a multi-terminal geometry. We show that it is imperative to include a quartic term in the potential energy to insure stability and to properly describe thermal expansion. The latter also contributes to leading order in the thermal resistance, while the usually adopted cubic term appears in the second order. This formalism paves the way for accurate modeling of thermal transport across interfaces in highly non-equilibrium situations beyond perturbation theory. |
| first_indexed | 2024-03-10T04:10:48Z |
| format | Article |
| id | doaj.art-13556e58926245c8bef6fe2e236ad5a1 |
| institution | Directory Open Access Journal |
| issn | 1099-4300 |
| language | English |
| last_indexed | 2024-03-10T04:10:48Z |
| publishDate | 2021-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Entropy |
| spelling | doaj.art-13556e58926245c8bef6fe2e236ad5a12023-11-23T08:10:52ZengMDPI AGEntropy1099-43002021-12-012312163010.3390/e23121630Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High TemperaturesKeivan Esfarjani0Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, VA 22904, USAWe consider the problem of heat transport by vibrational modes between Langevin thermostats connected by a central device. The latter is anharmonic and can be subject to large temperature difference and thus be out of equilibrium. We develop a classical formalism based on the equation of motion method, the fluctuation–dissipation theorem and the Novikov theorem to describe heat flow in a multi-terminal geometry. We show that it is imperative to include a quartic term in the potential energy to insure stability and to properly describe thermal expansion. The latter also contributes to leading order in the thermal resistance, while the usually adopted cubic term appears in the second order. This formalism paves the way for accurate modeling of thermal transport across interfaces in highly non-equilibrium situations beyond perturbation theory.https://www.mdpi.com/1099-4300/23/12/1630nanoscale thermal transportanharmonicityphononsheat currenttransmissionthermal conductance |
| spellingShingle | Keivan Esfarjani Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High Temperatures Entropy nanoscale thermal transport anharmonicity phonons heat current transmission thermal conductance |
| title | Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High Temperatures |
| title_full | Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High Temperatures |
| title_fullStr | Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High Temperatures |
| title_full_unstemmed | Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High Temperatures |
| title_short | Theory of Non-Equilibrium Heat Transport in Anharmonic Multiprobe Systems at High Temperatures |
| title_sort | theory of non equilibrium heat transport in anharmonic multiprobe systems at high temperatures |
| topic | nanoscale thermal transport anharmonicity phonons heat current transmission thermal conductance |
| url | https://www.mdpi.com/1099-4300/23/12/1630 |
| work_keys_str_mv | AT keivanesfarjani theoryofnonequilibriumheattransportinanharmonicmultiprobesystemsathightemperatures |