The Atomistic Green's Function Method for Interfacial Phonon Transport

Sridhar, Srinivas; Che, Yuhang; Huang, Zhen; Chen, Liang; Kumar, Satish; Fisher, Timothy S.

doi:10.1615/annualrevheattransfer.2014006986

Cited by 68 publications

(56 citation statements)

References 77 publications

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“…The atomic Green's function approach to calculate h K is based on a system of classical harmonic Newtonian equations with solutions that are in the form of plane waves . From the calculated Green's function matrix, it becomes possible to calculate the mode‐dependent interface transmission coefficients for various types of interfaces . This approach was pioneered by Mingo and Yang, where they calculated the diffusive to ballistic crossover for Si nanowires with amorphous coatings .…”

Section: Harmonic Lattice Dynamics Green's Function Approach and Firmentioning

confidence: 99%

“…As such, AGF is mainly suitable for low temperatures where inelastic processes have negligible contribution to thermal transport. A comprehensive review of the AGF technique used to study interfacial transport is provided by Sadasivam et al…”

Section: Harmonic Lattice Dynamics Green's Function Approach and Firmentioning

confidence: 99%

“…[82] From the calculated Green's function matrix, it becomes possible to calculate the mode-dependent interface transmission coefficients for various types of interfaces. [83][84][85][86] This approach was pioneered by Mingo and Yang, where they calculated the diffusive to ballistic crossover for Si nanowires with amorphous coatings. [87] Since then, a number of studies have investigated thermal boundary conductance across a wide array of material interfaces, including phonon transport for graphene with grain boundaries, [88,89] interfacial transport across the technologically relevant Si/Ge heterostructures, [90,91] and two dimensional crystals such as MoS 2 , graphene nanoribbons, and single layer phosphorene.…”

Section: Harmonic Lattice Dynamics Green's Function Approach and Firmentioning

confidence: 99%

See 2 more Smart Citations

A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces

Giri

Hopkins

2019

Adv Funct Materials

205

152

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Interfacial thermal resistance is the primary impediment to heat flow in materials and devices as characteristic lengths become comparable to the mean‐free paths of the energy carriers. This thermal boundary conductance across solid interfaces at the nanoscale can affect a plethora of applications. The recent experimental and computational advances that have led to significant atomistic insights into the nanoscopic thermal transport mechanisms at interfaces between various types of materials are summarized. The authors focus on discussions of works that have pushed the limits to interfacial heat transfer and drastically increased the understanding of thermal boundary conductance on the atomic and nanometer scales near solid/solid interfaces. Specifically, the role of localized interfacial modes on the energy conversion processes occurring at interfaces is emphasized in this review. The authors also focus on experiments and computational works that have challenged the traditionally used phonon gas models in interpreting the physical mechanisms driving interfacial energy transport. Finally, the authors discuss the future directions and avenues of research that can further the knowledge of heat transfer across systems with broken symmetries.

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Section: Harmonic Lattice Dynamics Green's Function Approach and Firmentioning

confidence: 99%

Section: Harmonic Lattice Dynamics Green's Function Approach and Firmentioning

confidence: 99%

Section: Harmonic Lattice Dynamics Green's Function Approach and Firmentioning

confidence: 99%

See 1 more Smart Citation

A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces

Giri

Hopkins

2019

Adv Funct Materials

205

152

View full text Add to dashboard Cite

show abstract

“…The usual approach for mode-matching [7][8][9] or the calculation of Green's functions [2][3][4][5] works selectively at a given frequency at one time. This is very convenient for fermions, for which the transport is restricted to a small energy window at the Fermi level.…”

Section: Discussionmentioning

confidence: 99%

Beam matching: A method to study phonon transport through interfaces and multilayer structures

Basu

Blöchl

2015

Physica Status Solidi (a)

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Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is based on the concept of individual phonons and their scattering at interfaces. One of the major goals is to efficiently determine the complex band structure of the bulk materials. The complex band structure is determined using selected k‐points on a triangulated grid in the complex plane of wave vectors perpendicular to the interface. Matching the phonon modes at an interface is translated to a singular value problem. Its null‐vectors provide the coupling coefficients of the phonon modes across the interface. Besides giving explicit access to the modes as they scatter at the interface, the technique provides the transfer matrices, that provide the transmission coefficient of any multilayer structure. The transmission coefficient, in turn, yields the phononic thermal conductance for coherent transport. The knowledge of the matched phonons forms the basis of investigating incoherent transport under the influence of phonon–phonon or impurity scattering.

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“…However, their applications are limited due to the computational complexity. In addition, AGF is also used to integrate with first‐principles calculations or Boltzmann transport equation . In this way, the applications of AGF can be extended, especially at the heterogeneous interface with unavailable interatomic potentials or in the system with large length scales of dimensions.…”

Section: Thermal Resistance At the Interface Between Contacting Matermentioning

confidence: 99%

A Theoretical Review on Interfacial Thermal Transport at the Nanoscale

Zhang

Yuan

Xiong

et al. 2017

Small

104

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With the development of energy science and electronic technology, interfacial thermal transport has become a key issue for nanoelectronics, nanocomposites, energy transmission, and conservation, etc. The application of thermal interfacial materials and other physical methods can reliably improve the contact between joined surfaces and enhance interfacial thermal transport at the macroscale. With the growing importance of thermal management in micro/nanoscale devices, controlling and tuning the interfacial thermal resistance (ITR) at the nanoscale is an urgent task. This Review examines nanoscale interfacial thermal transport mainly from a theoretical perspective. Traditional theoretical models, multiscale models, and atomistic methodologies for predicting ITR are introduced. Based on the analysis and summary of the factors that influence ITR, new methods to control and reduce ITR at the nanoscale are described in detail. Furthermore, the challenges facing interfacial thermal management and the further progress required in this field are discussed.

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The Atomistic Green's Function Method for Interfacial Phonon Transport

Cited by 68 publications

References 77 publications

A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces

A Review of Experimental and Computational Advances in Thermal Boundary Conductance and Nanoscale Thermal Transport across Solid Interfaces

Beam matching: A method to study phonon transport through interfaces and multilayer structures

A Theoretical Review on Interfacial Thermal Transport at the Nanoscale

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