Boltzmann Transport in Nanostructures as a Friction Effect
arXiv:1708.04633 · doi:10.1021/acs.nanolett.7b01202
Abstract
Surface scattering is the key limiting factor to thermal transport in dielectric crystals as the length scales are reduced or when temperature is lowered. To explain this phenomenon, it is commonly assumed that the mean free paths of heat carriers are bound by the crystal size and that thermal conductivity is reduced in a manner proportional to such mean free paths. We show here that these conclusions rely on simplifying assumptions and approximated transport models. Instead, starting from the linearized Boltzmann transport equation in the relaxon basis, we show how the problem can be reduced to a set of decoupled linear differential equations. Then, the heat flow can be interpreted as a hydrodynamic phenomenon, with the relaxon gas being slowed down in proximity of a surface by friction effects, similar to the flux of a viscous fluid in a pipe. As an example, we study a ribbon and a trench of monolayer molybdenum disulphide, describing the procedure to reconstruct the temperature and thermal conductivity profile in the sample interior and showing how to estimate the effect of nanostructuring. The approach is general and could be extended to other transport carriers, such as electrons, or extended to materials of higher dimensionality and to different geometries, such as thin films.
References in corpus (11)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Phonons and related properties of extended systems from density-functional perturbation theory
- Negative local resistance caused by viscous electron backflow in graphene
- Observation of the Dirac fluid and the breakdown of the Wiedemann-Franz law in graphene
- AiiDA: Automated Interactive Infrastructure and Database for Computational Science
- Molecular dynamics calculation of the thermal conductivity of vitreous silica
- Evidence for hydrodynamic electron flow in PdCoO
- Ab initio variational approach for evaluating lattice thermal conductivity
- Anharmonic properties from a generalized third order ab~initio approach: theory and applications to graphite and graphene
- Thermal transport in crystals as a kinetic theory of relaxons
- Towards More Accurate Molecular Dynamics Calculation of Thermal Conductivity. Case Study: GaN Bulk Crystals
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