Impact of Ge clustering on the thermal conductivity of SiGe nanowires: atomistic simulation study

Kuryliuk, Vasyl; Tyvonovych, Ostap; Semchuk, S.S.

doi:10.1039/d2cp05185k

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2023

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Cited by 3 publications

(1 citation statement)

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“…Thus, it gives an excellent and clear basis for experimental verifications of the developed models 4,5 . Further, such results can be broadcasted for various nanocomposite systems, where interfacial also crucially impacts thermal transport 6,7 .…”

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confidence: 95%

Thermal Transport Properties of Nanoporous Silicon with Significant Specific Surface Area

Isaiev¹,

Yuliia²,

Kuryliuk³

et al. 2023

Preprint

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mentioning

confidence: 95%

Thermal Transport Properties of Nanoporous Silicon with Significant Specific Surface Area

Isaiev¹,

Yuliia²,

Kuryliuk³

et al. 2023

Preprint

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Thermal transport properties of nanoporous silicon with significant specific surface area

Isaiev

Yuliia

Kuryliuk

et al. 2023

Applied Physics Letters

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This paper studies thermal transport in nanoporous silicon with a significant specific surface area. First, the equilibrium molecular dynamics approach was used to obtain the dependence of thermal conductivity on a specific surface area. Then, a modified phonon transport kinetic theory-based approach was developed to analyze thermal conductivity. Two models were used to evaluate the phonon mean free path in the porous materials. The first model assumes that the dependence of the mean free path only relies on the specific surface area, and the second one also considers the mean free path variation with the porosity. Both approaches approximate molecular dynamics data well for the smaller porosity values. However, the first model fails for highly porous matrixes, while the second one matches well with molecular dynamics simulations across all considered ranges of the porosities. This work illustrates that the phonon mean free path dependence with the porosity/volume fraction of composite materials is essential for describing thermal transport in systems with significant surface-to-volume ratio.

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Computational Study of the Thermal Transport Properties of Hollow-Core Si Nanowires

Kuryliuk,

Shevchenko

2023

2023 IEEE 13th International Conference Nanomaterials: Applications &Amp; Properties (NAP)

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Impact of Ge clustering on the thermal conductivity of SiGe nanowires: atomistic simulation study

Abstract: Using non-equilibrium molecular dynamics simulation, we demonstrate that the thermal conductivity of SiGe alloy nanowires is remarkably sensitive to inhomogeneous composition distributions. Specifically, the effects of Ge clustering on the...

Cited by 3 publications

References 61 publications

Thermal Transport Properties of Nanoporous Silicon with Significant Specific Surface Area

Thermal Transport Properties of Nanoporous Silicon with Significant Specific Surface Area

Thermal transport properties of nanoporous silicon with significant specific surface area

Computational Study of the Thermal Transport Properties of Hollow-Core Si Nanowires

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