1. Ballistic Heat Transport in Nanocomposite: The Role of the Shape and Interconnection of Nanoinclusions
- Author
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Paul Desmarchelier, Anne Tanguy, Konstantinos Termentzidis, Alice Carré, Centre d'Energétique et de Thermique de Lyon (CETHIL), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Institut National des Sciences Appliquées de Lyon (INSA Lyon), Université de Lyon-Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS), Laboratoire de Mécanique des Contacts et des Structures [Villeurbanne] (LaMCoS), Institut National des Sciences Appliquées de Lyon (INSA Lyon), and Université de Lyon-Institut National des Sciences Appliquées (INSA)-Université de Lyon-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)
- Subjects
Materials science ,Phonon ,Mean free path ,General Chemical Engineering ,Nanowire ,FOS: Physical sciences ,02 engineering and technology ,Thermal diffusivity ,01 natural sciences ,Article ,Thermal conductivity ,Ballistic conduction ,Mesoscale and Nanoscale Physics (cond-mat.mes-hall) ,0103 physical sciences ,General Materials Science ,[SPI.NANO]Engineering Sciences [physics]/Micro and nanotechnologies/Microelectronics ,010306 general physics ,QD1-999 ,Nanocomposite ,Condensed matter physics ,Condensed Matter - Mesoscale and Nanoscale Physics ,021001 nanoscience & nanotechnology ,Chemistry ,ballistic transport ,Volume fraction ,[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci] ,nanoinclusion ,0210 nano-technology - Abstract
The effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using MD simulations. The nanoinclusion arrangement ranges from an aligned sphere array to an interconnected mesh of nanowires. Wave-packet simulations scanning different polarizations and frequencies reveal that the interconnection of the nanoinclusions at constant volume fraction induces a strong increase of the mean free path of high frequency phonons, but does not affect the energy diffusivity. The mean free path and energy diffusivity are then used to estimate the thermal conductivity, showing an enhancement of the effective thermal the effective thermal conductivity due to the existence of crystalline structural interconnections. This enhancement is dominated by the ballistic transport of phonons. Equilibrium molecular dynamics simulations confirm the tendency although less markedly. This leads to the observation that coherent energy propagation with a moderate increase of the thermal conductivity is possible., 21 pages,8 figures, submitted to Nanomaterials
- Published
- 2021
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