Interface thermal behavior in nanomaterials by thermal grating relaxation

Palla, Pier Luca; Zampa, Sonia; Martin, Évelyne; Cleri, Fabrizio

doi:10.1016/j.ijheatmasstransfer.2018.11.064

Cited by 12 publications

(14 citation statements)

References 39 publications

(68 reference statements)

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“…One can instead take advantage of the collected data for B2 and B3 in order to extrapolate our results using the equation developed by Alvarez and Jou [37]. This relationship describes the ballistic to diffusive regime inherent in non-local effects observed at small sizes in AEMD [38]:…”

Section: B Thermal Conductivity Via Aemd: Basic Foundations and Resultsmentioning

confidence: 99%

Thermal conductivity and transport modes in glassy GeTe4 by first-principles molecular dynamics

Duong

Massobrio

Ori

et al. 2019

Phys. Rev. Materials

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First principles molecular dynamics is employed to investigate thermal transport in glassy GeTe4, a subsystem of several ternary phase-change materials. As a first result, we found modes localized on a few atoms in the vibrational density of states. The thermal transport is further rationalized by calculating the thermal conductivity for a range of system sizes and shapes via the approachto-equilibrium methodology. By considering the length dependence of the thermal conductivity, we provide evidence of propagative modes with mean free paths as long as 6 nm, i. e. well beyond short range order distances. Extrapolation of our bulk thermal conductivity to macroscopic sizes is in full agreement with the experimental values. Finally, we assess phenomenological models developed for the thermal conductivity of disordered materials, by enriching their intrinsic significance via the insertion in their analytical expression of values obtained via first principles molecular dynamics.

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Section: B Thermal Conductivity Via Aemd: Basic Foundations and Resultsmentioning

confidence: 99%

Thermal conductivity and transport modes in glassy GeTe4 by first-principles molecular dynamics

Duong

Massobrio

Ori

et al. 2019

Phys. Rev. Materials

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“…This behavior has been observed by AEMD in several other materials and nanostructures, and is related to nanoscale and non-local effects. 32 This can be rationalized in terms of behavior of heat carriers. Heat carriers with mean free paths (MFP) smaller than L are those experiencing scattering events, while transport is ballistic for heat carriers with a higher MFP.…”

Section: Thermal Transportmentioning

confidence: 99%

First-principles thermal transport in amorphous Ge₂Sb₂Te₅ at the nanoscale

et al. 2021

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“…However, a compromise has to be found between a reliable treatment of the interatomic forces (requiring a first-principle description) and the computational ressources needed to follow in time the heat flux. To take advantage of the predictive power of FPMD and obtain the thermal conductivity at an accessible cost we employ AEMD in conjunction with FPMD [7][8][9] , as we have done successfully for amorphous GeTe 4 [10][11][12] and amorphous Ge 2 Sb 2 Te 5 13 . With this choice, the computational effort is reduced since the transient times inherent in AEMD are much shorter than the time intervals needed to treat the heat flux in alternative MD methods 14,15 .…”

Section: Introductionmentioning

confidence: 99%