Simulation of dimensionality effects in thermal transport

The discovery of nanostructures and the development of growth and fabrication techniques of one- and two-dimensional materials provide the possibility to probe experimentally heat transport in low-dimensional systems. Nevertheless measuring the thermal conductivity of these systems is extremely challenging and subject to large uncertainties, thus hindering the chance for a direct comparison between experiments and statistical physics models. Atomistic simulations of realistic nanostructures provide the ideal bridge between abstract models and experiments. After briefly introducing the state of the art of heat transport measurement in nanostructures, and numerical techniques to simulate realistic systems at atomistic level, we review the contribution of lattice dynamics and molecular dynamics simulation to understanding nanoscale thermal transport in systems with reduced dimensionality. We focus on the effect of dimensionality in determining the phononic properties of carbon and semiconducting nanostructures, specifically considering the cases of carbon nanotubes, graphene and of silicon nanowires and ultra-thin membranes, underlying analogies and differences with abstract lattice models.Comment: 30 pages, 21 figures. Review paper, to appear in the Springer Lecture Notes in Physics volume "Thermal transport in low dimensions: from statistical physics to nanoscale heat transfer" (S. Lepri ed.

The MoS2 Nanotubes with Defect-Controlled Electric Properties

We describe a two-step synthesis of pure multiwall MoS2 nanotubes with a high degree of homogeneity in size. The Mo6S4I6 nanowires grown directly from elements under temperature gradient conditions in hedgehog-like assemblies were used as precursor material. Transformation in argon-H2S/H2 mixture leads to the MoS2 nanotubes still grouped in hedgehog-like morphology. The described method enables a large-scale production of MoS2 nanotubes and their size control. X-ray diffraction, optical absorption and Raman spectroscopy, scanning electron microscopy with wave dispersive analysis, and transmission electron microscopy were used to characterize the starting Mo6S4I6 nanowires and the MoS2 nanotubes. The unit cell parameters of the Mo6S4I6 phase are proposed. Blue shift in optical absorbance and metallic behavior of MoS2 nanotubes in two-probe measurement are explained by a high defect concentration

High-performance shape-engineerable thermoelectric painting

Output power of thermoelectric generators depends on device engineering minimizing heat loss as well as inherent material properties. However, the device engineering has been largely neglected due to the limited flat or angular shape of devices. Considering that the surface of most heat sources where these planar devices are attached is curved, a considerable amount of heat loss is inevitable. To address this issue, here, we present the shape-engineerable thermoelectric painting, geometrically compatible to surfaces of any shape. We prepared Bi2Te3-based inorganic paints using the molecular Sb2Te3 chalcogenidometalate as a sintering aid for thermoelectric particles, with ZT values of 0.67 for n-type and 1.21 for p-type painted materials that compete the bulk values. Devices directly brush-painted onto curved surfaces produced the high output power of 4.0 mW cm(-2). This approach paves the way to designing materials and devices that can be easily transferred to other applications.ope

Ultralow Thermal Conductivity of Isotope-Doped Silicon Nanowires

The thermal conductivity of silicon nanowires (SiNWs) is investigated by molecular dynamics (MD) simulation. It is found that the thermal conductivity of SiNWs can be reduced exponentially by isotopic defects at room temperature. The thermal conductivity reaches the minimum, which is about 27% of that of pure 28Si NW, when doped with fifty percent isotope atoms. The thermal conductivity of isotopic-superlattice structured SiNWs depends clearly on the period of superlattice. At a critical period of 1.09 nm, the thermal conductivity is only 25% of the value of pure Si NW. An anomalous enhancement of thermal conductivity is observed when the superlattice period is smaller than this critical length. The ultra-low thermal conductivity of superlattice structured SiNWs is explained with phonon spectrum theory.Comment: Nano Lett., ASAP Article 10.1021/nl0725998 S1530-6984(07)02599-4 Web Release Date: December 21, 200

Absolute measurements of neutron yields from DD and DT implosions at the OMEGA laser facility using CR-39 track detectors

The response of CR-39 track detectors to neutrons has been characterized and used to measure neutron yields from implosions of DD- and DT-filled targets at the OMEGA laser facility and the scaling of neutron fluence with R (the target-to-detector distance) has been used to characterize the fluence of backscattered neutrons in the target chamber. A Monte-Carlo code was developed to predict the CR-39 efficiency for detecting DD neutrons, and it agrees well with the measurements. Neutron detection efficiencies of (1.1+/-0.2)x10(-4) and (6.0+/-0.7)x10(-5) for the DD and DT cases, respectively, were determined for standard CR-39 etch conditions. In OMEGA experiments with both DD and DT targets, the neutron fluence was observed to decrease as R-2 up to about 45 cm; at larger distances, a significant backscattered neutron component was seen. The measured backscattered component appears to be spatially uniform, and agrees with predictions of a neutron-transport code. As an additional application of the calibration results, it is shown that the neutron-induced signal in CR-39 used in charged-particle spectrometers on OMEGA can be used to determine DD and DT yields ranging from about 10(10) up to 10(14). With further improvements in the processing and analysis of CR-39, this upper limit can be increased by at least two orders of magnitude