Adjoint-based deviational Monte Carlo methods for phonon transport calculations
- Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States). Dept. of Mechanical Engineering
In the field of linear transport, adjoint formulations exploit linearity to derive powerful reciprocity relations between a variety of quantities of interest. We develop an adjoint formulation of the linearized Boltzmann transport equation for phonon transport. We use this formulation for accelerating deviational Monte Carlo simulations of complex, multiscale problems. Benefits include significant computational savings via direct variance reduction, or by enabling formulations which allow more efficient use of computational resources, such as formulations which provide high resolution in a particular phase-space dimension (e.g., spectral). We show that the proposed adjoint-based methods are particularly well suited to problems involving a wide range of length scales (e.g., nanometers to hundreds of microns) and lead to computational methods that can calculate quantities of interest with a cost that is independent of the system characteristic length scale, thus removing the traditional stiffness of kinetic descriptions. Applications to problems of current interest, such as simulation of transient thermoreflectance experiments or spectrally resolved calculation of the effective thermal conductivity of nanostructured materials, are presented and discussed in detail.
- Research Organization:
- Energy Frontier Research Centers (EFRC) (United States). Solid-State Solar-Thermal Energy Conversion Center (S3TEC); Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Grant/Contract Number:
- SC0001299; FG02-09ER46577
- OSTI ID:
- 1370983
- Alternate ID(s):
- OSTI ID: 1198571
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 91, Issue 23; ISSN 1098-0121
- Publisher:
- American Physical Society (APS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
Web of Science
Phonon relaxation time reconstruction from transient thermal grating experiments and comparison with density functional theory predictions
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journal | January 2019 |
Ab initio based investigation of thermal transport in superlattices using the Boltzmann equation: Assessing the role of phonon coherence
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journal | February 2019 |
| Extending the range of validity of Fourier's law into the kinetic transport regime via asymptotic solution of the phonon Boltzmann transport equation | text | January 2015 |
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