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The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…
A fundamental pursuit of microwave metrology is the determination of the characteristic impedance profile of microwave systems. Among other methods, this can be practically achieved by means of time-domain reflectometry (TDR) that measures…
This paper presents a comprehensive experimental validation of a recently developed Ray Deflection Function (RDF) approach, which offers a new framework for modeling surface roughness effects in optical systems. Through detailed geometrical…
We present DeepVekua, a hybrid architecture that unifies geometric deep learning with spectral analysis to solve partial differential equations (PDEs) in sparse data regimes. By learning a diffeomorphic coordinate transformation that maps…
Low power energy dispersive XRD-XRF portable instruments equipped with multiple angle scanning can take advantage of the shorter acquisition time of EDXRD with respect to ADXRD, and bring closer higher accuracy and resolution of…
A method for the calculation of the damping rate due to electron-hole pair excitation for atomic and molecular motion at metal surfaces is presented. The theoretical basis is provided by Time Dependent Density Functional Theory (TDDFT) in…
Four-dimensional scanning transmission electron microscopy (4D-STEM) of local atomic diffraction patterns is emerging as a powerful technique for probing intricate details of atomic structure and atomic electric fields. However, efficient…
Tethered particle motion experiments are versatile single-molecule techniques enabling one to address in vitro the molecular properties of DNA and its interactions with various partners involved in genetic regulations. These techniques…
The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…
In this article we propose and numerically implement a mathematical model for the simulation of three-dimensional semiconductor devices characterized by an heterogeneous material structure. The model consists of a system of nonlinearly…
The phase field fracture method has emerged as a promising computational tool for modelling a variety of problems including, since recently, hydrogen embrittlement and stress corrosion cracking. In this work, we demonstrate the potential of…
Twistronics is an emerging and captivating field in condensed matter physics and material science. However, accurately and efficiently calculating the electronic structures of twisted systems remains a significant challenge. To address…
Electron energy loss spectroscopy is consolidating as a powerful tool to explore electronic (as well as vibrational) excitations of matter, including molecules. Performed in a scanning transmission electron microscope, this technique is…
Non-adiabatic molecular dynamics (NAMD) has become an essential computational technique for studying the photophysical relaxation of molecular systems after light absorption. These phenomena require approximations that go beyond the…
One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate mode-based transport information. Although recent advances in computation lead to mode-based information, it is hindered by…
Photon transport through a diffusing slab can be described by the radiative transfer equation (RTE). When the slab is highly scattering and weakly absorbing, the RTE simplifies to the diffusion equation. In this paper, an inverse diffusion…
We present a method for solving the positron diffusion equation in multi-layer systems. Our approach incorporates material-specific implantation profiles, diffusion parameters, and positron affinities. It utilizes a Markov chain approach to…
Transport of fast electron in overdense plasmas is of key importance in high energy density physics. However, it is challenging to diagnose the fast electron transport in experiments. In this article, we study coherent transition radiation…
This paper concerns an inverse elastic scattering problem which is to determine the location and the shape of a rigid obstacle from the phased or phaseless far-field data for a single incident plane wave. By introducing the Helmholtz…
A rigorous mathematical model and an efficient computational method are proposed to solving the inverse elastic surface scattering problem which arises from the near-field imaging of periodic structures. We demonstrate how an enhanced…