Related papers: High-Throughput Computational Screening of thermal…
Amorphous alumina is employed ubiquitously as a high-dielectric-constant material in electronics, and its thermal-transport properties are of key relevance for heat management in electronic chips and devices. Experiments show that the…
During the standard ac lock-in measurement of the resistance of a two-dimensional electron gas (2DEG) applying an ac current $I = \sqrt{2} I_0 \sin(\omega t)$, the electron temperature $T_e$ oscillates with the angular frequency $2 \omega$…
We model the low-temperature specific heat of solid $^4$He in the hexagonal closed packed structure by invoking two-level tunneling states in addition to the usual phonon contribution of a Debye crystal for temperatures far below the Debye…
In this article, we are proposing a thorough analysis of the cross, and the in-plane thermal conductivity of thin-film materials based on the 3$\omega$ method. The analysis accommodates a 2D mathematical heat transfer model of a…
Accurate thermodynamic stability predictions enable data-driven computational materials design. Standard density functional theory (DFT) approximations have limited accuracy with average errors of a few hundred meV/atom for ionic materials…
We report on the theory of logarithmic temperature profiles in very strongly developed thermal convection in the geometry of a Rayleigh-Benard cell with aspect ratio one and discuss the degree of agreement with the recently measured…
The non-isothermal analysis of materials with the application of the Arrhenius equation involves temperature integration. If the frequency factor in the Arrhenius equation depends on temperature with a power-law relationship, the integral…
The lattice thermal conductivity ({\kappa}{\omega}) is a key property for many potential applications of compounds. Discovery of materials with very low or high {\kappa}{\omega} remains an experimental challenge due to high costs and…
Pure amorphous solids are traditionally considered to set the lower bound of thermal conductivity due to their disordered atomic structure that impedes vibrational energy transport. However, the lower limits for thermal conductivity in…
This chapter gives an overview of the progress in the field of computational superconductivity. Following the MgB2 discovery (2001), there has been an impressive acceleration in the development of methods based on Density Functional Theory…
Despite multiple successful applications of high-throughput computational materials design from first principles, there is a number of factors that inhibit its future adoption. Of particular importance are limited ability to provide high…
We propose a general formula for higher order corrections to the value of the Hagedorn temperature of a class of holographic confining gauge theories in the strong coupling expansion. Inspired by recent proposals in the literature, the…
Lattice thermal conductivity ($\kappa_L$) is a key physical property governing heat transport in solids, with direct relevance to thermoelectrics, thermal barrier coatings, and heat management applications. However, while experimental…
The Debye model of the specific heat of solid at low temperatures is incorporate in the Entropic Gravity Theory (EGT). Rather of a smooth surface, the holographic screen is considered as an oscillating elastic membrane, with a continuous…
We calculate analytically properties of holographic superconductors in the probe limit. We analyze the range $1/2 < \Delta < 3$, where $\Delta$ is the dimension of the operator that condenses. We obtain the critical temperature in terms of…
We investigate the thermal conductivity of plumbene using molecular dynamics simulations, overcoming existing limitations by optimizing the parameters of Tersoff and Stillinger-Weber potentials via artificial neural networks. Our findings…
Amorphous silicon (a-Si) is an important thermal-management material and also serves as an ideal playground for studying heat transport in strongly disordered materials. Theoretical prediction of the thermal conductivity of a-Si in a wide…
Accelerating the calculations of finite-temperature thermodynamic properties is a major challenge for rational materials design. Reliable methods can be quite expensive, limiting their effective applicability in autonomous high-throughput…
In this work, we have proposed a data-driven screening framework combining the interpretable machine learning with high-throughput calculations to identify a series of metal oxides that exhibit both high-temperature tolerance and high power…
Gallium oxide (Ga$_2$O$_3$) has attracted significant interest for its unique potential especially in power electronics. However, its low and anisotropic thermal conductivity poses a major challenge for heat dissipation. Here, we explore an…