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Chemists now routinely use software as part of their work. For example, virtual chemistry allows chemical reactions to be simulated. In particular, a selection of software is available for the visualisation of complex 3-dimensional…

Graphics · Computer Science 2013-07-25 Karl Harrison , Jonathan P. Bowen , Alice M. Bowen

The inelastic scattering of electrons is one route to study the vibrational and electronic properties of materials. Such experiments, also called electron energy-loss spectroscopy, are particularly useful for the investigation of the…

Materials Science · Physics 2014-06-24 Friedrich Roth , Andreas König , Jörg Fink , Bernd Büchner , Martin Knupfer

This document attempts to clarify potential confusion regarding electrostatics calculations, specifically in the context of biomolecular structure and specifically as regards the units typically used to contour/visualize isopotential…

Biomolecules · Quantitative Biology 2016-06-14 Cameron Mura

Non-circuit theory drift-diffusion numerical simulation of standard potentiostatic impedance spectroscopy (IS) is a well-known strategy for characterization of materials and electronic devices. It implies the time-dependent solutions from…

Controlling the interaction between localized optical and mechanical excitations has recently become possible following advances in micro- and nano-fabrication techniques. To date, most experimental studies of optomechanics have focused on…

Patients suffering from pulmonary diseases typically exhibit pathological lung ventilation in terms of homogeneity. Electrical Impedance Tomography (EIT) is a non-invasive imaging method that allows to analyze and quantify the distribution…

Microwave Imaging is an essential technique for reconstructing the electrical properties of an inaccessible medium. Many approaches have been proposed employing algorithms to solve the Electromagnetic Inverse Scattering Problem associated…

Computational Physics · Physics 2025-06-03 André Costa Batista , Ricardo Adriano , Lucas S. Batista

The closed integral equations for the interfacial tension as a function of external polarization at the liquid metal - ionic melt interface are derived. The version of Popel'-Pavlov isotherm is applied to the analysis of electrocapillary…

Chemical Physics · Physics 2007-05-23 Oleg A. Kobelev , Alexandr V. Kobelev

Any high-contrast imaging instrument in a future large space-based telescope will include an integral field spectrograph (IFS) for measuring broadband starlight residuals and characterizing the exoplanet's atmospheric spectrum. In this…

Instrumentation and Methods for Astrophysics · Physics 2020-08-26 He Sun , Alexei Goun , Susan Redmond , Michael Galvin , Tyler Groff , Maxime Rizzo , N. Jeremy Kasdin

Exploiting the information provided by electron energy-loss spectroscopy (EELS) requires reliable access to the low-loss region where the zero-loss peak (ZLP) often overwhelms the contributions associated to inelastic scatterings off the…

Materials Science · Physics 2020-09-14 Laurien I. Roest , Sabrya E. van Heijst , Louis Maduro , Juan Rojo , Sonia Conesa-Boj

The objective of electrical impedance tomography (EIT) is to reconstruct the internal conductivity of a physical body based on current and voltage measurements at the boundary of the body. In many medical applications the exact shape of the…

Optimization and Control · Mathematics 2021-10-25 J. P. Agnelli , V. Kolehmainen , M. Lassas , P. Ola , S. Siltanen

Ab initio modeling of electrochemical systems is becoming a key tool for understanding and predicting electrochemical behavior. Development and careful benchmarking of computational electrochemical methods are essential to ensure their…

Chemical Physics · Physics 2017-03-01 Ravishankar Sundararaman , Kathleen Schwarz

Electrochemistry is the underlying mechanism in a variety of energy conversion and storage systems, and it is well known that the composition, structure, and properties of electrochemical materials near active interfaces often deviates…

Materials Science · Physics 2018-02-07 Ahmad Eshghinejad , Ehsan Nasr Esfahani , Chihou Lei , Jiangyu Li

Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…

Materials Science · Physics 2025-10-28 Nikita Medvedev

We study the potential for precision electroweak (EW) measurements and beyond-the-Standard Model (BSM) searches using cross-section asymmetries in neutral-current (NC) deep inelastic scattering at the electron-ion collider (EIC). Our…

High Energy Physics - Phenomenology · Physics 2022-07-27 Radja Boughezal , Alexander Emmert , Tyler Kutz , Sonny Mantry , Michael Nycz , Frank Petriello , Kağan Şimşek , Daniel Wiegand , Xiaochao Zheng

An efficient computational approach for imaging binary-type physical properties suitable for various models in biomedical applications is developed and validated. The proposed methodology includes gradient-based multiscale optimization with…

Optimization and Control · Mathematics 2024-01-30 Maria M. F. M. Chun , Briana L. Edwards , Vladislav Bukshtynov

Electrochemical strains are a ubiquitous feature of solid state ionic devices ranging from ion batteries and fuel cells to electroresistive and memristive memories. Recently, we proposed a scanning probe microscopy (SPM) based approach,…

Materials Science · Physics 2015-06-03 A. N. Morozovska , E. A. Eliseev , S. V. Kalinin

We theoretically investigate electron energy loss spectroscopy (EELS) of metallic nanoparticles in the optical frequency domain. Using a quasistatic approximation scheme together with a plasmon eigenmode expansion, we show that EELS can be…

Mesoscale and Nanoscale Physics · Physics 2015-06-16 Anton Hörl , Andreas Trügler , Ulrich Hohenester

We consider the problem in Electrical Impedance Tomography (EIT) of identifying one or multiple inclusions in a background-conducting body $\Omega\subset\mathbb{R}^2$, from the knowledge of a finite number of electrostatic measurements…

Numerical Analysis · Mathematics 2025-02-07 Romina Gaburro , Patrick Healy , Shraddha Naidu , Clifford Nolan

In this paper, we consider the intensity-based inversion method (IIM) for quantitative material parameter estimation in quasi-static elastography. In particular, we consider the problem of estimating the material parameters of a given…

Numerical Analysis · Mathematics 2026-01-19 Ekaterina Sherina , Simon Hubmer
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