The 2H (MoS2-type) phase of 2D transition metal dichalcogenides (TMDCs) has been extensively studied and exhibits excellent electronic and optoelectronic properties, but the high phonon thermal conductivity is detrimental to the thermoelectric performances. Here, we use first-principles methods combined with Boltzmann transport theory to calculate the electronic and phononic transport propertie...

Zhi Guo, Amit Verma, Xufei Wu, Fangyuan Sun, Austin Hickman, Takekazu Masui, Akito Kuramata, Masataka Higashiwaki, Debdeep Jena, and Tengfei Luo Department of Aerospace and Mechanical Engineering, University of Notre Dame, Notre Dame, Indiana 46556, USA Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556, USA Department of Electrical Engineering, University of Notre Dame, ...

We analyze the transport of heat along a chain of particles interacting through anharmonic potentials consisting of quartic terms in addition to harmonic quadratic terms and subject to heat reservoirs at its ends. Each particle is also subject to an impulsive shot noise with exponentially distributed waiting times whose effect is to change the sign of its velocity, thus conserving the energy of...

We theoretically investigate the phonon scattering by vacancies, including the impacts of missing mass and linkages (τ(V)(-1)) and the variation of the force constant of bonds associated with vacancies (τ(A)(-1)) by the bond-order-length-strength correlation mechanism. We find that in bulk crystals, the phonon scattering rate due to change of force constant τ(A)(-1) is about three orders of mag...

Statistical methods, and especially machine learning, have been increasingly used in nanofluid modeling. This paper presents some of the interesting and applicable methods for thermal conductivity prediction and compares them with each other according to results and errors that are defined. The thermal conductivity of nanofluids increases with the volume fraction and temperature. Machine learni...

Experimental study of effective thermal conductivity of ZnO/EG nanofluid is presented in thisresearch. The nanofluid was prepared by dispersing Zno nanoparticles in ethylene glycol using asonicator and adding surfactant. Ethylene glycol based nanofluid containing ZnO nanoparticlewith a nominal diameter of 18 nm at different solid volume fractions (very low to high) atvarious temperatures was ex...

This study was designed to experimentally measure the thermal and electrical conductivities of Aluminium Nitride/Ethylene Glycol (AlN/EG) nanofluids. Transmission electron microscopy (TEM) was used to characterize the shape of AlN nanoparticles. Nanofluids with different particle volume concentrations of 0.5%, 1%, 2%, 3%, 4%, and 5% were utilized. The thermal and electrical conductivities of the...

In the current research, thermal conductivity of magnetite (Fe3O4) has been calculated using molecular dynamic simulation. The rNEMD Molecular Dynamics Method provided in the LMMPS package is used for the simulation of the thermal conductivity. The effects of magnetite layer size and temperature on the thermal conductivity have been investigated. The numerical results have...

The relationships between thermal conductivity and other petrophysical properties have been analysed for a borehole drilled in a Tertiary Flysch sequence. We establish equations that permit us to predict rock thermal conductivity from logging data. A regression analysis of thermal conductivity, bulk density, and sonic velocity yields thermal conductivity with an average accuracy of better than ...

To minimize the lattice thermal conductivity in thermoelectrics, strategies typically focus on the scattering of low-frequency phonons by interfaces and high-frequency phonons by point defects. In addition, scattering of mid-frequency phonons by dense dislocations, localized at the grain boundaries, has been shown to reduce the lattice thermal conductivity and improve the thermoelectric perform...