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The effect on the vibrational and thermal properties of gradually interconnected nanoinclusions embedded in an amorphous silicon matrix is studied using MD simulations. The nanoinclusion arrangement ranges from an aligned sphere array to an…
We present atomistic valence force field calculations of thermal transport in Si nanowires of diameters from 12nm down to 1nm. We show that as the diameter is reduced, the phonon density-of-states and transmission function acquire a finite…
Channeling of particle beam in straight and bent single-wall nanotubes has been studied in computer simulations. We have found that the nanotubes should be sufficiently narrow in order to steer efficiently the particle beams, with preferred…
Optical-based nanothermometry represents a transformative approach for precise temperature measurements at the nanoscale, which finds versatile applications across biology, medicine, and electronics. The assembly of ratiometric fluorescent…
The thermoelectric properties of two typical SiGe nanotubes are investigated using a combination of density functional theory, Boltzmann transport theory, and molecular dynamics simulations. Unlike carbon nanotubes, these SiGe nanotubes…
At micro- to nano-scales, classical size effects in heat conduction play an important role in suppressing the thermal transport process. Such effects occur when the characteristic lengths become commensurate to the mean free paths (MFPs) of…
Single-crystalline silicon is well known to be a poor thermoelectric material due to its high thermal conductivity. Most excellent research has focused on ways to decrease its thermal conductivity while retaining acceptably large power…
Based on the Debye-Callaway and the Klemens model, as well as molecular dynamics, the paper proposes mechanism of thermal conductivity reduction by embedding dense 60{\deg} shuffle-set dislocation arrays into silicon nano-films. Thermal…
The realization of phononic computing is held hostage by the lack of high performance thermal devices. Here we show through theoretical analysis and molecular dynamics simulations that unprecedented thermal rectification factors (as large…
Herein, we report the use of nanostructured crystalline Si as a thermoelectric material and its integration into thermoelectric harvesters. The proof-of-concept relies on the partial suppression of lattice thermal transport by introducing…
The thermoelectric properties of n type nanoscale three dimensional (3D) Si phononic crystals (PnCs) with spherical pores are studied. Density functional theory and Boltzmann transport equation under the relaxation time approximation are…
With the rapid advances in the development of nanotechnology, nowadays, the sizes of elementary unit, i.e. transistor, of micro- and nanoelectronic devices are well deep into nanoscale. For the pursuit of cheaper and faster nanoscale…
We report measurements and Monte Carlo simulations of thermal conductivity of porous 100nm- thick silicon membranes, in which size, shape and position of the pores were varied randomly. Measurements using 2-laser Raman thermometry on both…
Silicon carbide nanoparticles with diameters around 8 nm and with narrow size distribution have been finely mixed with doped silicon nanopowders and sintered into bulk samples to investigate the influence of nanoinclusions on electrical and…
We present a novel approach for computing the surface roughness-limited thermal conductivity of silicon nanowires with diameter D < 100 nm. A frequency-dependent phonon scattering rate is computed from perturbation theory and related to a…
With the continuous advancement of nanotechnology, nanodevices have become crucial components in computing, sensing and energy conversion applications. However, the structures of nanodevices typically possess sub-wavelength dimensions and…
Nanostructured materials and nanocomposites have shown great promise for improving the efficiency of thermoelectric materials. Herein, Fe nanoparticles were imbedded into a CrN matrix by combining two physical vapor deposition approaches,…
We investigated the thermal resistance of SnSe nanoflakes using scanning thermal microscopy, an extension of atomic force microscopy that allows for nanoscale thermal mapping. The nanoflakes studied ranged in thickness from 5 nm to 40 nm,…
Porous nanowires (NWs) with tunable thermal conductance are examined as a candidate for thermoelectric (TE) devices with high efficiency (ZT). Thermal conductance of porous Si and Ge NWs is calculated using the complete phonon dispersion…
Unlike classical heat diffusion at the macroscale, nanoscale heat transport can occur without energy dissipation because phonons can travel in straight lines for hundreds of nanometres. Despite recent experimental evidence of such ballistic…