Related papers: Defect identification based on first-principles ca…

In order to perform automated calculations of defect and dopant properties in semiconductors and insulators, we developed a software package, Defect and Dopant ab-initio Simulation Package (DASP), which is composed of four modules for…

Here we present a theoretical study of the thermoelectric transport through {[}2,2{]}para\-cyclo\-phane-based single-molecule junctions. Combining electronic and vibrational structures, obtained from density functional theory (DFT), with…

This paper describes the impedance spectroscopy adapted for analysis of small electrochemical changes in fluids. To increase accuracy of measurements the differential approach with temperature stabilization of fluid samples and electronics…

Deep learning (DL) models for disease classification or segmentation from medical images are increasingly trained using transfer learning (TL) from unrelated natural world images. However, shortcomings and utility of TL for specialized…

Quantum dot lattices (QDLs) have the potential to allow for the tailoring of optical, magnetic and electronic properties of a user-defined artificial solid. We use a dual gated device structure to controllably tune the potential landscape…

It is illustrated that semiconductor quantum dots (QDs) embedded into an insulating matrix connected with metallic electrodes and some vacuum space can lead to significant thermal rectification effect. A multilevel Anderson model is used to…

Transfer learning is widely used for training deep neural networks (DNN) for building a powerful representation. Even after the pre-trained model is adapted for the target task, the representation performance of the feature extractor is…

We present specific-heat data on the type-II superconductors V3Si, LuNi2B2C and NbSe2 which were acquired with a low-temperature thermal analysis (DTA) technique. We compare our data with available literature data on these superconductors.…

Electromagnetic radiation is emitted during the whole course of a heavy-ion collision and can escape from the collision zone without further interactions. This makes it an ideal tool to study the properties of hot and dense QCD matter. To…

Internal crack detection has been a subject of focus in structural health monitoring. By focusing on crack detection in structural datasets, it is demonstrated that deep learning (DL) methods can effectively analyze seismic wave fields…

Defects in semiconductor crystals can have significant detrimental effects on their performance as radiation detectors. Defects cause charge trapping and recombination, leading to lower signal amplitudes and poor energy resolution. We have…

We present an automated vision-based system for defect detection and classification of laser power meter sensor coatings. Our approach addresses the critical challenge of identifying coating defects such as thermal damage and scratches that…

Network topology identification (TI) is an essential function for distributed energy resources management systems (DERMS) to organize and operate widespread distributed energy resources (DERs). In this paper, discriminant analysis (DA) is…

The energetics of point defects in oxide materials plays a major role in determining their high-temperature properties, but experimental measurements are difficult, and calculations based on density functional theory (DFT) are not…

Calculating perturbation response properties of materials from first principles provides a vital link between theory and experiment, but is bottlenecked by the high computational cost. Here a general framework is proposed to perform density…

Multi-scale computational approaches are important for studies of novel, low-dimensional electronic devices since they are able to capture the different length-scales involved in the device operation, and at the same time describe critical…

We study the thermodynamics of clean, layered superconductor/ferromagnet nanostructures using fully self consistent methods to solve the microscopic Bogoliubov-deGennes equations. From these self-consistent solutions the condensation free…

As an aid to the development of hydrogen separation membranes, we predict the temperature dependent phase diagrams using first principles calculations combined with thermodynamic principles. Our method models the phase diagram without…

Properties of semiconductors are largely defined by crystal imperfections including native defects. Van der Waals (vdW) semiconductors, a newly emerged class of materials, are no exception: defects exist even in the purest materials and…

A method of the mid-IR-laser microscopy has been proposed for the investigation of the large-scale electrically and recombination active defects in semiconductors and non-destructive inspection of semiconductor materials and structures in…