Related papers: Reduced thermal conductivity in molecular forests
Polymer simulations routinely employ models with different molecular resolutions. United atom (UA) models are one such example, where groups of certain atoms in a molecule are clustered into superatoms. Although their computational…
Carbon-fiber-reinforced polymers (CFRPs) are some of the most useful materials for building spacecraft and aerospace tools. They are especially valuable for systems that work at extremely cold (cryogenic) temperatures because they are…
Photons typically do not contribute to thermal transport within a solid due to their low energy density and tendency to be quickly absorbed. We propose a practical material system - infrared plasmonic resonators embedded in a semiconductor…
We report low-temperature transport experiments on single-wall nanotubes with metallic leads of varying contact quality, ranging from weak tunneling to almost perfect transmission. In the weak tunneling regime, where Coulomb blockade…
The thermal conductance by phonons of a quasi-one-dimensional solid with isotope or defect scattering is studied using the Landauer formalism for thermal transport. The conductance shows a crossover from localized to Ohmic behavior, just as…
The conductivity tensor is introduced for the low-dimensional electron systems. Within the particle-in-a-box model and the diagonal response approximation, components of the conductivity tensor for a quasi-homogeneous ultrathin metal film…
Thermal conductivities $\Lambda $ of amorphous carbon thin films are measured in the temperatures range 80--400 K using the $3\omega $ method. Sample films range from soft a-C:H prepared by remote-plasma deposition ($\Lambda = 0.20$ W…
We review experimental and theoretical results on thermal transport in semiconductor nanostructures (multilayer thin films, core/shell and segmented nanowires), single- and few-layer graphene, hexagonal boron nitride, molybdenum disulfide…
Individual carbon nanotubes (CNTs) possess extremely high thermal conductivities. However, the thermal conductivities and their anisotropy of macroscopic assemblies of CNTs have so far remained small. Here, we report results of directional…
Recent molecular dynamics simulation methods have enabled thermal conductivity of bulk materials to be estimated. In these simulations, periodic boundary conditions are used to extend the system dimensions to the thermodynamic limit. Such a…
Understanding the fundamental link between structure and functionalization is crucial for the design and optimization of functional materials, since different structural configurations could trigger materials to demonstrate diverse…
Superatomic compounds, composed of atomic clusters interwoven by weak chemical bonds exhibit large anharmonicity vibrations, are excellent candidates for ultralow thermal conductivity (\k{appa}) materials. However, growing bulk superatomic…
In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…
We report low temperature transport measurements on suspended single walled carbon nanotubes (both individual tubes and ropes). The technique we have developed, where tubes are soldered on low resistive metallic contacts across a slit,…
We study thermal transport in folded graphene nanoribbons using molecular dynamics simulations and the non-equilibrium Green's function method. It is found that the thermal conductivity of flat graphene nanoribbons can be modulated by…
We calculate the thermal conductivity (\k{appa}) of both bulk crystalline and single-chain polyethylene (PE) using the first-principles-based anharmonic lattice dynamics. Despite its low \k{appa} in amorphous state, the predicted bulk…
In this work, we aim to study the thermal properties of materials using classical molecular dynamics simulations and specialized numerical methods. We focus primarily on the thermal conductivity \kappa using non-equilibrium molecular…
Understanding the impact of lattice imperfections on nanoscale thermal transport is crucial for diverse applications ranging from thermal management to energy conversion. Grain boundaries (GBs) are ubiquitous defects in polycrystalline…
Single-walled carbon nanotubes (SWCNTs) in their pristine form have high thermal conductivity whose further improvement has attracted a lot of interest. Some theoretical studies have suggested that the thermal conductivity of a $(10,10)$…
We present a general framework to explore thermally activated failures in quasi one dimensional systems. We apply it to the collapse of carbon nanotubes, the formation of bottlenecks in nanowires, both of which limit conductance, and the…