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The complex transverse water proton magnetization subject to diffusion-encoding magnetic field gradient pulses in a heterogeneous medium can be modeled by the multiple compartment Bloch-Torrey partial differential equation (BTPDE). A…

Electrolytes play a critical role in designing next-generation battery systems, by allowing efficient ion transfer, preventing charge transfer, and stabilizing electrode-electrolyte interfaces. In this work, we develop a differentiable…

The design of absorbing boundary conditions (ABC) in a numerical simulation is a challenging task. In the best cases, spurious reflections remain for some angles of incidence or at certain wave lengths. In the worst, ABC are not even…

Computational Physics · Physics 2024-09-11 Guillaume Bouchard , Arnaud Beck , Francesco Massimo , Arnd Specka

We consider wave propagation problems over 2-dimensional domains with piecewise-linear boundaries, possibly including scatterers. We assume that the wave speed is constant, and that the initial conditions and forcing terms are radially…

Numerical Analysis · Mathematics 2025-03-14 Davide Pradovera , Monica Nonino , Ilaria Perugia

General requirements for radar digital signal processing are ionospheric distortion and Doppler dispersion correction, which has historically required radar-specific hardware to implement in real time. Although analog solutions are…

Signal Processing · Electrical Eng. & Systems 2025-09-30 Daniel J. Vickers , A. H. Mack , Idahosa A. Osaretin

This thesis explores the application of Plane Wave Discontinuous Galerkin (PWDG) methods for the numerical simulation of electromagnetic scattering by periodic structures. Periodic structures play a pivotal role in various engineering and…

Numerical Analysis · Mathematics 2023-12-20 Armando Maria Monforte

Autonomous synthesis and characterization of inorganic materials requires the automatic and accurate analysis of X-ray diffraction spectra. For this task, we designed a probabilistic deep learning algorithm to identify complex multi-phase…

Materials Science · Physics 2021-05-27 Nathan J. Szymanski , Christopher J. Bartel , Yan Zeng , Qingsong Tu , Gerbrand Ceder

A novel explicit method to model Lorentz linear dispersive media with finite difference method are presented. The method shows an explicit method without any modification to the Leap-Frogging scheme. The polarizations of the Lorentz media…

Numerical Analysis · Mathematics 2020-07-22 Hiroshi Abe

Precise modelling of the (off-axis) point spread function (PSF) to identify geometrical and polarization aberrations is important for many optical systems. In order to characterise the PSF of the system in all Stokes parameters, an…

Optics · Physics 2018-11-27 Steven P. Bos , Sebastiaan Y. Haffert , Christoph U. Keller

We propose a time-domain boundary integral method to model linear wave propagation with refractive, focusing, and Doppler effects arising from medium heterogeneities and moving obstacles. In contrast to existing techniques, our method…

Numerical Analysis · Mathematics 2026-05-13 Raaghav Ramani

We present a new method for building sequences of solvable profiles of the electromagnetic (EM) admittance in lossless isotropic materials with 1D graded permittivity and permeability (in particular profiles of the optical…

Optics · Physics 2018-06-15 Jean-Claude Krapez

We develop a general-purpose formulation, based on two-dimensional spectral integrals, for computing electromagnetic fields produced by arbitrarily-oriented dipoles in planar-stratified environments, where each layer may exhibit arbitrary…

Computational Physics · Physics 2014-11-27 K. Sainath , F. L. Teixeira , B. Donderici

Inverse design has greatly expanded nanophotonic devices and brought optimized performance. However, the use of inverse design for plasmonic structures has been challenging due to local field concentrations that can lead to errors in…

Computational Physics · Physics 2020-12-14 Zhou Zeng , Xianfan Xu

The recently published DeePMD model (https://github.com/deepmodeling/deepmd-kit), based on a deep neural network architecture, brings the hope of solving the time-scale issue which often prevents the application of first principle molecular…

Computational Physics · Physics 2019-10-23 Aris Marcolongo , Tobias Binninger , Federico Zipoli , Teodoro Laino

Peridynamics (PD) represents a new approach for modelling fracture mechanics, where a continuum domain is modelled through particles connected via physical bonds. This formulation allows us to model crack initiation, propagation, branching…

Computational Engineering, Finance, and Science · Computer Science 2017-10-19 Gabriel Hattori , Jon Trevelyan , William M. Coombs

Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…

Soft Condensed Matter · Physics 2014-11-26 D. C. Rapaport

Paraxial diffraction modeling based on the Fourier transform has seen widespread implementation for simulating the response of a diffraction-limited optical system. For systems where the paraxial assumption is not sufficient, a class of…

Characteristic modes are formulated using the scattering dyadic, which maps incident plane waves to scattered far fields generated by an object of arbitrary material composition. Numerical construction of the scattering dyadic using…

Computational Engineering, Finance, and Science · Computer Science 2023-02-01 Miloslav Capek , Johan Lundgren , Mats Gustafsson , Kurt Schab , Lukas Jelinek

The modeling of solute chemistry at low-symmetry defects in materials is historically challenging, due to the computation cost required to evaluate thermodynamic properties from first principles. Here, we offer a hybrid multiscale approach…

Materials Science · Physics 2025-06-12 Nutth Tuchinda , Changle Li , Christopher A. Schuh

Inverse design of large-area metasurfaces can potentially exploit the full parameter space that such devices offer and achieve highly efficient multifunctional flat optical elements. However, since practically useful flat optics elements…