Related papers: High-Throughput Computational Screening of thermal…
Superconductivity has been the focus of enormous research effort since its discovery more than a century ago. Yet, some features of this unique phenomenon remain poorly understood; prime among these is the connection between…
Increasing power densities in integrated circuits has led to an increased prevalence of thermal hotspots in integrated circuits. Tracking these thermal hotspots is imperative to prevent circuit failures. In 3D integrated circuits,…
We use the quantum spectral curve to compute the Hagedorn temperature for ABJM theory in terms of the interpolating function $h(\lambda)$. At weak coupling we compute this temperature up to eight-loop order, showing that it matches the…
The high-throughput (HT) computational method is a useful tool to screen high performance functional materials. In this work, using the deformation potential method under the single band model, we evaluate the carrier relaxation time and…
We present an ab initio calculation of the DC conductivity of amorphous silicon and hydrogenated amorphous silicon. The Kubo-Greenwood formula is used to obtain the DC conductivity, by thermal averaging over extended dynamical simulation.…
For $\beta$-$\mathrm{Ga_2O_3}$ only little information exist concerning the thermal properties, especially the thermal conductivity $\lambda$. Here, the thermal conductivity is measured by applying the electrical 3$\omega$-method on…
While the ongoing search to discover new high-entropy systems is slowly expanding beyond metals, a rational and effective method for predicting "in silico" the solid solution forming ability of multi-component systems remains yet to be…
This study presents a geometric deep learning framework for predicting cold spray particle impact responses using finite element simulation data. A parametric dataset was generated through automated Abaqus simulations spanning a systematic…
Thermal conductivities $\Lambda $ of amorphous carbon thin films are measured in the temperatures range 80--400 K using the $3\omega $ method. Sample films range from soft a-C:H prepared by remote-plasma deposition ($\Lambda = 0.20$ W…
We develop a multi-step workflow for the discovery of conventional superconductors, starting with a Bardeen Cooper Schrieffer inspired pre-screening of 1736 materials with high Debye temperature and electronic density of states. Next, we…
Simulating electronic behavior in materials and devices with realistic large system sizes remains a formidable task within the $ab$ $initio$ framework due to its computational intensity. Here we show DeePTB, an efficient deep learning-based…
The question here is whether the Debye model is suited to evaluate the specific heat of nanocrystals. For this, the simplest possible nanocrystal is considered: a basic cubic structure made of atoms that interact through a harmonic…
Extended X-ray absorption fine structure (EXAFS) spectra are sensitive to thermal disorder and are often used to probe local lattice dynamics. Variations in interatomic distances induced by atomic vibrations are described by the…
Colloidal quantum dots (QDs) and their thin-films are increasingly used in electronic and photonic devices replacing traditional bulk semiconductors. However, thermal properties of the QDs are comparatively underexplored relative to device…
A novel phenomenological framework for an efficient estimation of the thermo-electric properties at room temperature and elevated temperatures of body-centered cubic (BCC) transition metal concentrated alloys is proposed in this work. The…
The paper describes a method for measuring the thermal diffusivity of materials having a high thermal conductivity. The apparatus is rather simple and low-cost, being therefore suitable in a laboratory for undergraduate students of…
We study the response functions (chromo-electric susceptibilities) for an interacting quark-gluon plasma. The interaction effects have been encoded in the effective fugacities for quasi-partons which are extracted self-consistently from the…
The thermal conductivity of a model for solid argon is investigated using nonequilibrium molecular dynamics methods, as well as the traditional Boltzmann transport equation approach with input from molecular dynamics calculations, both with…
In aluminium electrolysis cells, a ledge of frozen electrolyte is formed, attached to the sides of the cell. The control of the side ledge thickness is essential in ensuring a reasonable lifetime for the cells. Numerical modelling of the…
Semiconducting alloys, in particular SiGe, have been employed for several decades as high-temperature thermoelectric materials. Devising strategies to reduce their thermal conductivity may provide a substantial improvement in their…