Erratum: Lattice-dynamical calculation of phonon scattering at ideal Si-Ge interfaces [J. Appl. Phys. 97, 024903 (2005)]

Hong, Zhonghua; Freund, Jonathan B.

doi:10.1063/1.1899761

Cited by 28 publications

(47 citation statements)

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“…23,25,27,28 The SBM is comprised of two steps, which are briefly described in Sections III C 2 and III C 3. For a detailed derivation, please see Wang and Wang 27 or Zhao and Freund.…”

Section: Landauer Formulamentioning

confidence: 99%

“…For a detailed derivation, please see Wang and Wang 27 or Zhao and Freund. 25 For each junction, bulk phonon properties and phonon transmission coefficients are calculated for rightward traveling modes at 10,000 wavevectors uniformly sampled from the first Brillouin zone of the left lead. Thermal conductance is computed by performing a summation over the sampled modes as shown in Eq.…”

Section: Landauer Formulamentioning

confidence: 99%

“…21 Beginning with Lumpkin et al, 22 a harmonic lattice-based analytical technique was developed that accounted for exact interface atomic postions and interactions. This technique was based on the scattering of incident phonons by the interface, 23,24 was generalized by Zhao and Freund to arbitrary three-dimensional interfaces, 25 and is now known as the scattering boundary method (SBM). Zhao and Freund studied ideal Si-Ge intefaces and verified the validity of the SBM against MD studies of interfaces that used wave packets.…”

Section: Introductionmentioning

confidence: 99%

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Thermal conductance of superlattice junctions

McGaughey

2015

AIP Advances

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We use molecular dynamics simulations and the lattice-based scattering boundary method to compute the thermal conductance of finite-length Lennard-Jones superlattice junctions confined by bulk crystalline leads. The superlattice junction thermal conductance depends on the properties of the leads. For junctions with a superlattice period of four atomic monolayers at temperatures between 5 and 20 K, those with mass-mismatched leads have a greater thermal conductance than those with mass-matched leads. We attribute this lead effect to interference between and the ballistic transport of emergent junction vibrational modes. The lead effect diminishes when the temperature is increased, when the superlattice period is increased, and when interfacial disorder is introduced, but is reversed in the harmonic limit. C 2015 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.

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“…23,25,27,28 The SBM is comprised of two steps, which are briefly described in Sections III C 2 and III C 3. For a detailed derivation, please see Wang and Wang 27 or Zhao and Freund.…”

Section: Landauer Formulamentioning

confidence: 99%

Section: Landauer Formulamentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Thermal conductance of superlattice junctions

McGaughey

2015

AIP Advances

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“…The model we developed is inspired by the lattice dynamics model for Si/Ge interface, as described in 18 . We have extended this latter model basically to employ interatomic force constants inputs from ab initio calculations.…”

Section: Theoretical Modelmentioning

confidence: 99%

“…However, these two models generally fail in describing accurately interfacial thermal transport as they do not include any information relevant to the interface, and usually consider phonon dispersion in a simplified way. In the quest for more accurate models, several computational methods have been proposed during the last decade, including molecular dynamics 12 , Green's function 14 and lattice dynamics 13,18 . Molecular dynamics is a flexible tool to describe bulk phonon properties and interfacial thermal transport, and its accuracy would be considerably improved by the use of interatomic potentials deriving from ab-initio calculations.…”

Section: Introductionmentioning

confidence: 99%

Critical angle for interfacial phonon scattering: Results from ab initio lattice dynamics calculations

Alkurdi

Pailhés

Mérabia

2017

Applied Physics Letters

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Thermal boundary resistance is a critical quantity that controls heat transfer at the nanoscale, and which is primarily related to interfacial phonon scattering. Here, we combine lattice dynamics calculations and inputs from first principles ab initio simulations to predict phonon transmission at Si/Ge interface as a function of both phonon frequency and phonon wavevector. This technique allows us to determine the overall thermal transmission coefficient as a function of the phonon scattering direction and frequency. Our results show that, the thermal energy transmission is highly anisotropic while thermal energy reflection is almost isotropic. In addition, we found the existence of a global critical angle of transmission beyond which almost no thermal energy is transmitted. This critical angle around 50• . is found to be almost independent on the interaction range between Si and Ge, the interfacial bonding strength, and the temperature above 30 K. We interpret these results by carrying out a spectral and angular analysis of phonon transmission coefficient and differential thermal boundary conductance.

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

Giri

Hopkins

2019

Adv Funct Materials

191

151

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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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Erratum: Lattice-dynamical calculation of phonon scattering at ideal Si-Ge interfaces [J. Appl. Phys. 97, 024903 (2005)]

Abstract: A framework for solving atomistic phonon-structure scattering problems in the frequency domain using perfectly matched layer boundaries

Cited by 28 publications

References 0 publications

Thermal conductance of superlattice junctions

Thermal conductance of superlattice junctions

Critical angle for interfacial phonon scattering: Results from ab initio lattice dynamics calculations

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

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