相关论文: T-E formulation-based modeling of thin HTS shell m…
Moir\'e superlattices in two-dimensional (2D) materials exhibit rich quantum phenomena, but ab initio modelling of these systems remains computationally prohibitive. Existing machine learning methods for accelerating density-functional…
A new approach is introduced to significantly improve the performance of thermophotovoltaic (TPV) systems by using low-dimensional thermal emitters and photovoltaic (PV) cells. By reducing the thickness of both the emitter and the PV cell,…
We propose that the topological magneto-electric (ME) effect, a hallmark of topological insulators (TIs), can be realized in thin films of TIs in the $\nu=0$ quantum Hall state under magnetic field or by doping two magnetic ions with…
High-quality (001)-oriented (pseudo-cubic notation) ferromagnetic YTiO$_3$ thin films were epitaxially synthesized in a layer-by-layer way by pulsed laser deposition. Structural, magnetic and electronic properties were characterized by…
Altermagnets with pronounced spin-splitting band structure, unconventional magnetic and crystal symmetries, and exotic magneto-transport properties have received immense interest in cutting-edge spintronics, materials science, and condensed…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
The development of accurate constitutive models for materials that undergo path-dependent processes continues to be a complex challenge in computational solid mechanics. Challenges arise both in considering the appropriate model assumptions…
We propose a new unfitted finite element method for simulation of two-phase flows in presence of insoluble surfactant. The key features of the method are 1) discrete conservation of surfactant mass; 2) the possibility of having meshes that…
A numerical implementation of the transition state theory (TST) is presented which can be used to calculate the attempt frequency $f_{0}$ of arbitrary shaped magnetic nanostructures. The micromagnetic equations are discretized using the…
First-principles calculations of electron interactions in materials have seen rapid progress in recent years, with electron-phonon (e-ph) interactions being a prime example. However, these techniques use large matrices encoding the…
To tackle the strong multi-scale problem in the quench simulation of superconducting accelerator magnets, this work proposes a hybrid numerical method which uses two-dimensional first-order finite-elements in the magnet cross-section and…
Here, we demonstrate an interplay between superconducting fluctuations and electron-electron interaction (EEI) by low temperature magnetotransport measurements for a set of 2D disordered TiN thin films. While cooling down the sample, a…
The finite element method is widely used in simulations of various fields. However, when considering domains whose extent differs strongly in different spatial directions a finite element simulation becomes computationally very expensive…
Hard/soft magnetic bilayer thin films have been widely used in data storage technologies and permanent magnet applications. The magnetic configuration and response to temperatures and magnetic fields in these heterostructures are considered…
Topological insulator (TI) thin films differ from the more commonly studied semi-infinite bulk TIs in that the former possesses both top and bottom surfaces where the surface states localized at different surfaces can couple to one another…
The high-$T_c$ superconducting (HTS) dynamo exploits the nonlinear resistivity of an HTS tape to generate a DC voltage when subjected to a varying magnetic field. This leads to the so-called flux pumping phenomenon and enables the injection…
In this paper we present a mathematical analysis of thin film flow and heat transfer to a laminar liquid film from a horizontal stretching sheet. The flow of thin liquid film and subsequent heat transfer from the stretching surface is…
The extension of least-squares tensor hypercontracted second- and third-order M{\o}ller-Plessett perturbation theory (LS-THC-MP2 and LS-THC-MP3) to open-shell systems is an important development due to the scaling reduction afforded by THC…
We present a new approach for the two-temperature molecular dynamics (MD) model for coupled simulations of electronic and phonon heat conduction in nanoscale systems. The proposed method uses a master equation to perform heat conduction of…
We consider a multiscale approach based on immersed methods for the efficient computational modeling of tissues composed of an elastic matrix (in two or three-dimensions) and a thin vascular structure (treated as a co-dimension two…