[HTML][HTML] Modulating thermal transport in polymers and interfaces: theories, simulations, and experiments

B Zhang, P Mao, Y Liang, Y He, W Liu… - ES Energy & …, 2019 - espublisher.com
Bulk polymers are often regarded as thermal insulators due to low thermal conductivity,
which extremely limits their applications in the field of heat transfer. Over the past decades …

High and Anomalous Thermal Conductivity in Monolayer MSi2Z4 Semiconductors

Y Yin, M Yi, W Guo - ACS Applied Materials & Interfaces, 2021 - ACS Publications
The lattice thermal conductivity (κ) of a newly synthesized two-dimensional (2D) MoSi2N4
family and its associated abnormality are anatomized by ab initio phonon Boltzmann …

Green function, quasi-classical Langevin and Kubo–Greenwood methods in quantum thermal transport

H Sevinçli, S Roche, G Cuniberti… - Journal of Physics …, 2019 - iopscience.iop.org
With the advances in fabrication of materials with feature sizes at the order of nanometers, it
has been possible to alter their thermal transport properties dramatically. Miniaturization of …

Efficient mechanical modulation of the phonon thermal conductivity of Mo 6 S 6 nanowires

K Xu, S Deng, T Liang, X Cao, M Han, X Zeng, Z Zhang… - Nanoscale, 2022 - pubs.rsc.org
Mo6S6 nanowires are emerging as key building blocks for flexible devices and are
competitive with carbon nanotubes due to easier separation and functionalization. Here, it is …

Vibrational modes with long mean free path and large volumetric heat capacity drive higher thermal conductivity in amorphous zeolitic imidazolate Framework-4

Y Zhou, B Huang, BY Cao - Materials Today Physics, 2021 - Elsevier
The thermal conductivity of amorphous structure is generally thought to be lower than that of
its crystalline counterpart. However, recent experiments show the thermal conductivity of …

Perspective on multi-scale simulation of thermal transport in solids and interfaces

M Hu, Z Yang - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Phonon-mediated thermal transport is inherently multi-scale. The wave-length of phonons
(considering phonons as waves) is typically at the nanometer scale; the typical size of a …

[HTML][HTML] Enhanced thermal conductance at the graphene–water interface based on functionalized alkane chains

S Chen, M Yang, B Liu, M Xu, T Zhang, B Zhuang… - RSC …, 2019 - pubs.rsc.org
Highly efficient thermal transport between graphene and water is crucial in applications such
as microscopic heat dissipation, solar steam generation, sea-water desalination, and …

Atomistic simulation of phonon and magnon thermal transport across the ferromagnetic-paramagnetic transition

Y Zhou, J Tranchida, Y Ge, J Murthy, TS Fisher - Physical Review B, 2020 - APS
A temperature-dependent approach involving Green-Kubo equilibrium atomic and spin
dynamics (GKEASD) is reported to assess phonon and magnon thermal transport processes …

[HTML][HTML] Quantum phonon transport in nanomaterials: combining atomistic with non-equilibrium green's function techniques

L Medrano Sandonas, R Gutierrez, A Pecchia, A Croy… - Entropy, 2019 - mdpi.com
A crucial goal for increasing thermal energy harvesting will be to progress towards atomistic
design strategies for smart nanodevices and nanomaterials. This requires the combination …

Intrinsic electron mobility and lattice thermal conductivity of β-Si3N4 from first-principles

Y Li, X Duan, Z Fu, H Zhao, YL He, XL Lu… - Solid State …, 2023 - Elsevier
Silicon nitride based materials have emerged as the promising candidates for high-power
electronics and next-generation gate dielectrics. Herein, the crucial characteristics of …