相关论文: First principles investigation of high thermal con…
Anomalous heat transport in one-dimensional nanostructures, such as nanotubes and nanowires, is a widely debated problem in condensed matter and statistical physics, with contradicting pieces of evidence from experiments and simulations.…
Recently superconductivity has been discovered at around 200~K in a hydrogen sulfide system and around 260~K in a lanthanum hydride system, both under pressures of about 200 GPa. These record-breaking transition temperatures bring within…
A fundamental understanding of phonon transport in stanene is crucial to predict the thermal performance in potential stanene-based devices. By combining first-principle calculation and phonon Boltzmann transport equation, we obtain the…
In recent years, nanostructuring of dielectric and semiconducting crystals has enhanced controllability of their thermal conductivity. To carry out computational material search for nanostructured materials with desirable thermal…
We report magnetic measurements up to 1200 K on three different multi-walled carbon nanotube mat samples using Quantum Design vibrating sample magnetometers. Three different samples prepared from arc discharge or chemical vapor deposition…
We present a comprehensive investigation of self-heating in gallium nitride (GaN) high-electron-mobility transistors (HEMTs) through technology computer-aided design (TCAD) simulations and phonon Monte Carlo (MC) simulations. With…
We calculate the dissipative dc conductivity of a two-dimensional electron system in a magnetic field for the situation when its effective temperature exceeds the temperature of the acoustic phonon system. We demonstrate that at…
Recently, single crystalline carbon nitride 2D material with a C3N stoichiometry has been synthesized. In this investigation, we explored the mechanical response and thermal transport along pristine, free-standing and single-layer C3N. To…
Predicting the thermal conductivity of glasses from first principles has hitherto been a prohibitively complex problem. In fact, past works have highlighted challenges in achieving computational convergence with respect to length and/or…
1,2-Ethanediol, 1,2-propanediol and their aqueous solutions are widely used as heat transfer fluids. Their thermal conductivity is a vital physical property, yet there are only few reports in literature. In this paper, thermal conductivity…
We present a comprehensive computational study of the electronic, thermal, and thermoelectric (TE) properties of gallium nitride nanowires (NWs) over a wide range of thicknesses (3--9 nm), doping densities ($10^{18}$--$10^{20}$ cm$^{-3}$),…
Electrical conductivity (sigma_dc) of the cellular Si/SiC ceramic composites has been measured over a temperature range 25-1073 K while the thermoelectric power (S) has been measured over 25-300 K. Remarkably, these cellular compounds…
High electric conductivity ~100 MegaSiemens/m and Seebeck coefficient >200 mkV/K of carbon nanotubes (CNT) make them attractive for a variety of applications. Unfortunately, a high thermal conductivity ~ 3000 W/(m*K) due to the phonon…
The lattice thermal conductivity ($\kappa$) of two ceramic materials, cerium dioxide (CeO$_2$) and magnesium oxide (MgO), is computed up to 1500 K using first principles and the phonon Boltzmann Transport Equation (PBTE) and compared to…
10 H SiC thin films are potential candidates for devices that can be used in high temperature and high radiation environment. Measurement of thermal conductivity of thin films by a non-invasive method is very useful for such device…
Cubic silicon carbide phonon thermal conductivity has been calculated using anharmonic phonon analysis. The atomic interaction model was built using displacement-force data obtained with the High Efficiency Configuration Space Sampling…
New stable thorium decahydride $Fm\bar{3}m$-$ThH_{10}$, a record high-temperature superconductor with $T_C$ up to 241 K ($-32^{\circ}C$), critical field $H_C$ up to 71T and superconducting gap ${\Delta_0}$ = 52 meV at 80-100 GPa was…
In a recent preprint Kong et al, arXiv:0902.0642v1 (2009) claimed to calculate the lattice thermal conductivity of single and bi-layer graphene 'from first principles'. The main findings were that the Umklapp-limited thermal conductivity is…
Porous materials provide a large surface to volume ratio, thereby providing a knob to alter fundamental properties in unprecedented ways. In thermal transport, porous nanomaterials can reduce thermal conductivity by not only enhancing…
High entropy carbides ceramics with randomly-distributed multiple principal cations have shown high temperature stability, low thermal conductivity, and possible radiation tolerance. While chemical disorder has been shown to suppress…