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Register a new userSize-dependent thermal conductivity of nanoscale semiconducting systems
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We study the size dependence of thermal conductivity in nanoscale semiconducting systems. An analytical formula including the surface scattering and the size confinement effects of phonon transport is derived. The theoretical formula gives good agreements with the existing experimental data for Si and GaAs nanowires and thin films.
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We have investigated the grain boundary scattering effect on the thermal transport behavior of uranium dioxide (UO$_2$). The polycrystalline samples having different grain-sizes (0.125, 1.8, and 7.2 $mu$m) have been prepared by spark plasma sintering technique and characterized by x-ray powder diffraction (XRD), scanning electron microscope (SEM), and Raman spectroscopy. The thermal transport properties (the thermal conductivity and thermoelectric power) have been measured in the temperature range 2-300~K and the results were analyzed in terms of various physical parameters contributing to the thermal conductivity in these materials in relation to grain-size. We show that thermal conductivity decreases systematically with lowering grain-size in the temperatures below 30 K, where the boundary scattering dominates the thermal transport. At higher temperatures more scattering processes are involved in the heat transport in these materials, making the analysis difficult. We determined the grain boundary Kapitza resistance that would result in the observed increase in thermal conductivity with grain size, and compared the value with Kapitza resistances calculated for UO$_2$ using molecular dynamics from the literature.
Carbon nanotubes (CTNs) with large aspect-ratios are extensively used to establish electrical connectedness in polymer melts at very low CNT loadings. However, the CNT size polydispersity and the quality of the dispersion are still not fully understood factors that can substantially alter the desired characteristics of CNT nanocomposites. Here we demonstrate that the electrical conductivity of polydisperse CNT-epoxy composites with purposely-tailored distributions of the nanotube length L is a quasiuniversal function of the first moment of L. This finding challenges the current understanding that the conductivity depends upon higher moments of the CNT length. We explain the observed quasiuniversality by a combined effect between the particle size polydispersity and clustering. This mechanism can be exploited to achieve controlled tuning of the electrical transport in general CNT nanocomposites.
We present measurements of the frequency and electric field dependent conductivity of single walled carbon nanotube(SWCNT) networks of various densities. The ac conductivity as a function of frequency is consistent with the extended pair approximation model and increases with frequency above an onset frequency $omega_0$ which varies over seven decades with a range of film thickness from sub-monolayer to 200 nm. The nonlinear electric field-dependent DC conductivity shows strong dependence on film thickness as well. Measurement of the electric field dependence of the resistance R(E) allows for the determination of a length scale $L_{E}$ possibly characterizing the distance between tube contacts, which is found to systematically decrease with increasing film thickness. The onset frequency $omega_0$ of ac conductivity and the length scale $L_{E}$ of SWCNT networks are found to be correlated, and a physically reasonable empirical formula relating them has been proposed. Such studies will help the understanding of transport properties and benefit the applications of this material system.
We demonstrate that a high-dimensional neural network potential (HDNNP) can predict the lattice thermal conductivity of semiconducting materials with an accuracy comparable to that of density functional theory (DFT) calculation. After a training procedure based on the force, the root mean square error between the forces predicted by the HDNNP and DFT is less than 40 meV/{AA}. As typical examples, we present the results for Si and GaN bulk crystals. The deviation from the thermal conductivity calculated using DFT is within 1% at 200 to 500 K for Si and within 5.4% at 200 to 1000 K for GaN.
Fluorescent defects in non-cytotoxic diamond nanoparticles are candidates for qubits in quantum computing, optical labels in biomedical imaging and sensors in magnetometry. For each application these defects need to be optically and thermodynamically stable, and included in individual particles at suitable concentrations (singly or in large numbers). In this letter, we combine simulations, theory and experiment to provide the first comprehensive and generic prediction of the size, temperature and nitrogen-concentration dependent stability of optically active NV defects in nanodiamonds.
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