Related papers: Electromagnetic modeling of large-scale high-tempe…
In this paper, we explore the role of tensor algebra in balanced truncation (BT) based model reduction/identification for high-dimensional multilinear/linear time invariant systems. In particular, we employ tensor train decomposition (TTD),…
The mechanism responsible for spatially localized, strong coupling electron pairing characteristic of high-temperature superconductors (HTS) remains elusive and is a subject of hot debate. Here we propose a new HTS pairing mechanism which…
Undulators are X-ray sources that are widely utilised in advanced synchrotron radiation sources and freeelectron laser facilities. Due to sustainability and energy efficiency, the development focuses on small-scale, high-field, and…
In this work we will introduce the A-V-A formulation based iterative algorithm method (IAM) for simulating the magnetization current of high temperature superconductors. This new method embedded in ANSYS can simulate the critical state…
Following demands for materials with peculiar transport properties, e.g. in magnetoelectronics or thermoelectrics, there is a need for materials modeling at the quantum-mechanical level. We combine density-functional with various…
Dielectric structures composed of many inclusions that manipulate light in ways the bulk materials cannot are commonly seen in the field of metamaterials. In these structures, each inclusion depends on a set of parameters such as location…
With time, machine learning models have increased in their scope, functionality and size. Consequently, the increased functionality and size of such models requires high-end hardware to both train and provide inference after the fact. This…
Flexoelectricity shows promising applications for self-powered devices with its increased power density. This paper presents a second-order computational homogenization strategy for flexoelectric composite. The macro-micro scale transition,…
Tight binding (TB) models are one approach to the quantum mechanical many particle problem. An important role in TB models is played by hopping and overlap matrix elements between the orbitals on two atoms, which of course depend on the…
A myriad of phenomena in materials science and chemistry rely on quantum-level simulations of the electronic structure in matter. While moving to larger length and time scales has been a pressing issue for decades, such large-scale…
The high-pressure growth technique generally plays an important role in the improvement of the sample quality and the enhancement of various physical and magnetic properties of materials. The high gas pressure technique provides a large…
Density Functional Theory (DFT) has become a cornerstone in the modeling of metals. However, accurately simulating metals, particularly under extreme conditions, presents two significant challenges. First, simulating complex metallic…
We present an ensemble machine-learning approach for composition-based, structure-agnostic screening of candidate superconductors among ternary hydrides under high pressure. Hydrogen-rich hydrides are known to exhibit high superconducting…
Conductors made of high-temperature (HTS) wires helically wound in one or more layers on round tubes (CORT) are compact, flexible, and can carry a large amount of current. Although these conductors were initially developed for DC…
Tensor network methods provide a scalable solution to represent high-dimensional data. However, their efficacy is often limited by static, expert-defined structures that fail to adapt to evolving data correlations. We address this…
Producing large complex simulation datasets can often be a time and resource consuming task. Especially when these experiments are very expensive, it is becoming more reasonable to generate synthetic data for downstream tasks. Recently,…
Elastomeric mechanical metamaterials exhibit unconventional behaviour, emerging from their microstructures often deforming in a highly nonlinear and unstable manner. Such microstructural pattern transformations lead to non-local behaviour…
We present a simple formalism for the calculation of the derivatives of the electronic density matrix at any order, within density functional theory. Our approach, contrary to previous ones, is not based on the perturbative expansion of the…
We propose a charge crystal model that captures all the essential physics of the high temperature superconductivity (HTS) in the long wavelength limit. Based on the recent transport and the far-infrared (far-IR) experiments, we argue that…
High entropy alloys (HEAs) are a recently-opened research area in materials science and condensed matter physics. Although 3d-metal-based HEAs have already been the subject of many investigations, studies of HEA superconductors, which tend…