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Register a new userEfficient linear scaling method for computing the thermal conductivity of disordered materials
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An efficient order$-N$ real-space Kubo approach is developed for the calculation of the thermal conductivity of complex disordered materials. The method, which is based on the Chebyshev polynomial expansion of the time evolution operator and the Lanczos tridiagonalization scheme, efficiently treats the propagation of phonon wave-packets in real-space and the phonon diffusion coefficients. The mean free paths and the thermal conductance can be determined from the diffusion coefficients. These quantities can be extracted simultaneously for all frequencies, which is another advantage in comparison with the Greens function based approaches. Additionally, multiple scattering phenomena can be followed through the time dependence of the diffusion coefficient deep into the diffusive regime, and the onset of weak or strong phonon localization could possibly be revealed at low temperatures for thermal insulators. The accuracy of our computational scheme is demonstrated by comparing the calculated phonon mean free paths in isotope-disordered carbon nanotubes with Landauer simulations and analytical results. Then, the upscalibility of the method is illustrated by exploring the phonon mean free paths and the thermal conductance features of edge disordered graphene nanoribbons having widths of $sim$20 nanometers and lengths as long as a micrometer, which are beyond the reach of other numerical techniques. It is shown that, the phonon mean free paths of armchair nanoribbons are smaller than those of zigzag nanoribbons for the frequency range which dominate the thermal conductance at low temperatures. This computational strategy is applicable to higher dimensional systems, as well as to a wide range of materials.
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Random networks of carbon nanotubes and metallic nanowires have shown to be very useful in the production of transparent, conducting films. The electronic transport on the film depends considerably on the network properties, and on the inter-wire coupling. Here we present a simple, computationally efficient method for the calculation of conductance on random nanostructured networks. The method is implemented on metallic nanowire networks, which are described within a single-orbital tight binding Hamiltonian, and the conductance is calculated with the Kubo formula. We show how the network conductance depends on the average number of connections per wire, and on the number of wires connected to the electrodes. We also show the effect of the inter-/intra-wire hopping ratio on the conductance through the network. Furthermore, we argue that this type of calculation is easily extendable to account for the upper conductivity of realistic films spanned by tunneling networks. When compared to experimental measurements, this quantity provides a clear indication of how much room is available for improving the film conductivity.
The hot disk transient plane source (TPS) method is a widely used standard technique (ISO 22007-2) for the characterization of thermal properties of materials, especially the thermal conductivity, k. Despite its well-established reliability for a wide variety of common materials, the hot disk TPS method is also known to suffer from a substantial systematic errors when applied to low-k thermal insulation materials. Here, we present a combined numerical and experimental study on the influence of the geometry of hot disk sensor on measured value of low-k materials. We demonstrate that the error is strongly affected by the finite thickness and thermal mass of the sensors insulation layer was well as the corresponding increase of the effective heater size beyond the radius of the embedded metal heater itself. We also numerically investigate the dependence of the error on the sample thermal properties, confirming that the errors are worse in low-k samples. A simple correction function is also provided, which converts the apparent (erroneous) result from a standard hot disk TPS measurement to a more accurate value. A standard polyimide sensor was also optimized using both wet and dry etching to provide more accurate measurement directly. Experimentally corrected value of k for Airloy x56 aerogel and a commercial silica aerogel using the numerical correction factor derived based on the standard TPS sensor is in excellent agreement with the directly measured value from the TPS sensor using the optimized polyimide sensor. Both of these methods can reduce the errors to less than 4% as compared to around 40% error of overestimation from raw values measured with the pristine sensor. Such results show that both the numerical correction to a pristine senor or an optimized sensor are capable of providing highly accurate value of thermal conductivity for such materials.
A suspended system for measuring the thermal properties of membranes is presented. The sensitive thermal measurement is based on the 3$omega$ dynamic method coupled to a V$ddot{o}$lklein geometry. The device obtained using micro-machining processes allows the measurement of the in-plane thermal conductivity of a membrane with a sensitivity of less than 10nW/K (+/-$5x10^{-3}$Wm$^{-1}K^{-1}$ at room temperature) and a very high resolution ($Delta K/K =10^{-3}$). A transducer (heater/thermometer) centered on the membrane is used to create an oscillation of the heat flux and to measure the temperature oscillation at the third harmonic using a Wheatstone bridge set-up. Power as low as 0.1nanoWatt has been measured at room temperature. The method has been applied to measure thermal properties of low stress silicon nitride and polycrystalline diamond membranes with thickness ranging from 100 nm to 400 nm. The thermal conductivity measured on the polycrystalline diamond membrane support a significant grain size effect on the thermal transport.
We study the heat relaxation in current biased metallic films in the regime of strong electron-phonon coupling. A thermal gradient in the direction normal to the film is predicted, with a spatial temperature profile determined by the temperature-dependent heat conduction. In the case of strong phonon scattering the heat conduction occurs predominantly via the electronic system and the profile is parabolic. This regime leads to the linear dependence of the noise temperature as a function of voltage bias, in spite of the fact that all the dimensions of the film are large compared to the electron-phonon relaxation length. This is in stark contrast to the conventional scenario of relaxation limited by the electron-phonon scattering rate. A preliminary experimental study of a 200 nm thick NbN film indicates the relevance of our model for materials used in superconducting nanowire single-photon detectors.
We investigated the thermal conductivity K of graphene ribbons and graphite slabs as the function of their lateral dimensions. Our theoretical model considered the anharmonic three-phonon processes to the second-order and included the angle-dependent phonon scattering from the ribbon edges. It was found that the long mean free path of the long-wavelength acoustic phonons in graphene can lead to an unusual non-monotonic dependence of the thermal conductivity on the length L of a ribbon. The effect is pronounced for the ribbons with the smooth edges (specularity parameter p>0.5). Our results also suggest that - contrary to what was previously thought - the bulk-like 3D phonons in graphite can make a rather substantial contribution to its in-plane thermal conductivity. The Umklapp-limited thermal conductivity of graphite slabs scales, for L below ~ 10 micrometers, as log(L) while for larger L, the thermal conductivity approaches a finite value following the dependence K_0 - AtimesL^-1/2, where K_0 and A are parameters independent of the length. Our theoretical results clarify the scaling of the phonon thermal conductivity with the lateral sizes in graphene and graphite. The revealed anomalous dependence K(L) for the micrometer-size graphene ribbons can account for some of the discrepancy in reported experimental data for graphene.
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