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The morphometric approach is a powerful ansatz for decomposing the chemical potential for a complex solute into purely geometrical terms. This method has proven accuracy in hard spheres, presenting an alternative to comparatively expensive…

Statistical Mechanics · Physics 2019-10-28 Joshua F. Robinson , Roland Roth , C. Patrick Royall

The two-dimensional Active Brownian Particles system is meant to be composed of hard disks, that show excluded volume interactions, usually simulated via molecular dynamics using pure repulsive potentials. We show that the softness of the…

In this work, we developed an interatomic potential for saturated hydrocarbons using the modified embedded-atom method (MEAM), a reactive semi-empirical many-body potential based on density functional theory and pair potentials. We…

Chemical Physics · Physics 2017-09-13 S. Nouranian , M. A. Tschopp , S. R. Gwaltney , M. I. Baskes , M. F. Horstemeyer

Hot alkali metal vapors enclosed in sub-micron spectroscopic cells provide an ideal system for fundamental studies of the atom-wall and atom-light interactions at nanoscale. Here, we propose a novel approach for calculating the eigenmodes…

Optics · Physics 2022-02-02 Andrei Ermolaev , Tigran Vartanyan

We present here a new method to model the shape of the 3-{\mu}m absorption band in the reflectance spectra of meteorites and small bodies. The band is decomposed into several OH/H2O components using Exponentially Modified Gaussian (EMG)…

Earth and Planetary Astrophysics · Physics 2020-02-11 S. Potin , S. Manigand , P. Beck , C. Wolters , B. Schmitt

We consider area-preserving deformations of the plane, acting on electronic wavefunctions through "quantomorphisms" that change both the underlying metric and the confining potential. We show that adiabatic sequences of such transformations…

Mesoscale and Nanoscale Physics · Physics 2023-10-11 Blagoje Oblak , Benoit Estienne

High precision spectroscopy can provide a sensitive tool to test Coulomb's law on atomic length scales. This can then be used to constrain particles such as extra "hidden" photons or minicharged particles that are predicted in many…

High Energy Physics - Phenomenology · Physics 2010-12-24 Joerg Jaeckel , Sabyasachi Roy

A physics assisted deep learning framework to perform accurate indoor imaging using phaseless Wi-Fi measurements is proposed. It is able to image objects that are large (compared to wavelength) and have high permittivity values, that…

Signal Processing · Electrical Eng. & Systems 2022-11-23 Samruddhi Deshmukh , Amartansh Dubey , Dingfei Ma , Qifeng Chen , Ross Murch

We derive relationships between the shape deformation of an impenetrable obstacle and boundary measurements of scattering fields on the perturbed shape itself. Our derivation is rigourous by using systematic way, based on layer potential…

Analysis of PDEs · Mathematics 2020-07-23 Habib Zribi

Spatial profiles of the pressure have been measured in atomic Fermi gases with primarily 2D kinematics. The in-plane motion of the particles is confined by a gaussian-shape potential. The two-component deeply-degenerate Fermi gases are…

Quantum Gases · Physics 2016-09-05 Kirill Martiyanov , Tatiana Barmashova , Vasiliy Makhalov , Andrey Turlapov

Determining atomistic structures from characterization data is one of the most common yet intricate problems in materials science. Particularly in amorphous materials, proposing structures that balance realism and agreement with experiments…

Disordered Systems and Neural Networks · Physics 2026-03-25 Jiawei Guo , Daniel Schwalbe-Koda

We try to improve the Thomas-Fermi model for the total energy and electron density of atoms and molecules by directly modifying the Euler equation for the electron density, which we argue is less affected by nonlocal corrections. Here we…

Statistical Mechanics · Physics 2007-05-23 Jeng-Da Chai , John D. Weeks

Photoemission orbital tomography (POT) from photoelectron momentum maps (PMMs) has enabled detailed analysis of the shape and energy of molecular orbitals in the adsorbed state. This study proposes a new POT method based on the PhaseLift.…

Materials Science · Physics 2025-06-03 Kaori Niki , Rena Asano , Ryuji Sakanoue , Manabu Hagiwara , Kazushi Mimura

Understanding and controlling the chemical states both in the bulk and at the interfaces of complex oxide thin films is essential for engineering a wide range of electronic, optical, and magnetic functionalities, which arise through…

Materials Science · Physics 2025-12-30 Harish Kumarasubramanian , Jayakanth Ravichandran

Efficiently and accurately computing molecular Auger electron spectra for larger systems is limited by the increasing complexity of the scaling in the number of doubly ionized final states with respect to the system size. In this work, we…

The structure of the double-layer formed at the surface of carbon electrodes is governed by the interactions between the electrode and the electrolyte species. However, carbon is notoriously difficult to simulate accurately, even with…

Controlling the properties of organic/inorganic materials requires detailed knowledge of their molecular adsorption geometries. This is often unattainable, even with current state-of-the-art tools. Visualizing the structure of complex…

In cuprates, the strong correlations in proximity to the antiferromagnetic Mott insulating state give rise to an array of unconventional phenomena beyond high temperature superconductivity. Developing a complete description of the ground…

We present a morphological analysis of atom probe data of nanoscale microstructural features, using methods developed by the astrophysics community to describe the shape of superclusters of galaxies. We describe second-phase regions using…

Materials Science · Physics 2020-01-30 Daniel R Mason , Andrew J London

A quantitative description of the excited electronic states of point defects and impurities is crucial for understanding materials properties, and possible applications of defects in quantum technologies. This is a considerable challenge…