Vibrational heat transport in molecular junctions
D Segal, BK Agarwalla - Annual review of physical chemistry, 2016 - annualreviews.org
We review studies of vibrational energy transfer in a molecular junction geometry, consisting
of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup …
of a molecule bridging two heat reservoirs, solids or large chemical compounds. This setup …
Role of anharmonic phonon scattering in the spectrally decomposed thermal conductance at planar interfaces
A detailed understanding of the vibrational heat transfer mechanisms between solids is
essential for the efficient thermal engineering and control of nanomaterials. We investigate …
essential for the efficient thermal engineering and control of nanomaterials. We investigate …
Semi-classical generalized Langevin equation for equilibrium and nonequilibrium molecular dynamics simulation
Molecular dynamics (MD) simulation based on Langevin equation has been widely used in
the study of structural, thermal properties of matter in different phases. Normally, the atomic …
the study of structural, thermal properties of matter in different phases. Normally, the atomic …
Frequency-dependent phonon mean free path in carbon nanotubes from nonequilibrium molecular dynamics
Owing to their long phonon mean free paths (MFPs) and high thermal conductivity, carbon
nanotubes (CNTs) are ideal candidates for, eg, removing heat from electronic devices. It is …
nanotubes (CNTs) are ideal candidates for, eg, removing heat from electronic devices. It is …
Spectral mapping of heat transfer mechanisms at liquid-solid interfaces
Thermal transport through liquid-solid interfaces plays an important role in many chemical
and biological processes, and better understanding of liquid-solid energy transfer is …
and biological processes, and better understanding of liquid-solid energy transfer is …
Wiedemann–Franz law for molecular hopping transport
GT Craven, A Nitzan - Nano letters, 2020 - ACS Publications
The Wiedemann–Franz (WF) law is a fundamental result in solid-state physics that relates
the thermal and electrical conductivity of a metal. It is derived from the predominant transport …
the thermal and electrical conductivity of a metal. It is derived from the predominant transport …
Charge transport in molecular junctions: From tunneling to hopping with the probe technique
We demonstrate that a simple phenomenological approach can be used to simulate
electronic conduction in molecular wires under thermal effects induced by the surrounding …
electronic conduction in molecular wires under thermal effects induced by the surrounding …
[HTML][HTML] Vibrational mean free paths and thermal conductivity of amorphous silicon from non-equilibrium molecular dynamics simulations
K Sääskilahti, J Oksanen, J Tulkki, AJH McGaughey… - AIP Advances, 2016 - pubs.aip.org
The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous
silicon are predicted from the length dependence of the spectrally decomposed heat current …
silicon are predicted from the length dependence of the spectrally decomposed heat current …
Phononic heat transport in molecular junctions: Quantum effects and vibrational mismatch
R Moghaddasi Fereidani, D Segal - The Journal of chemical physics, 2019 - pubs.aip.org
Problems of heat transport are ubiquitous to various technologies such as power generation,
cooling, electronics, and thermoelectrics. In this paper, we advocate for the application of the …
cooling, electronics, and thermoelectrics. In this paper, we advocate for the application of the …
Ballistic-diffusive phonon heat transport across grain boundaries
The propagation of a heat pulse in a single crystal and across grain boundaries (GBs) is
simulated using a concurrent atomistic-continuum method furnished with a coherent phonon …
simulated using a concurrent atomistic-continuum method furnished with a coherent phonon …