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We propose a new model for the description of complex granular particles and their interaction in molecular dynamics simulations of granular material in two dimensions. The grains are composed of triangles which are connected by deformable…

adap-org · Physics 2012-08-29 Thorsten Poeschel , Volkhard Buchholtz

Differential dynamic microscopy (DDM) is a form of video image analysis that combines the sensitivity of scattering and the direct visualization benefits of microscopy. DDM is broadly useful in determining dynamical properties including the…

Soft Condensed Matter · Physics 2022-04-12 Mengyang Gu , Yimin Luo , Yue He , Matthew E. Helgeson , Megan T. Valentine

A coarse-grained simulation method to predict NMR spectra of ions diffusing in porous carbons is proposed. The coarse-grained model uses input from molecular dynamics simulations such as the free-energy profile for ionic adsorption, and…

Materials Science · Physics 2015-06-23 Céline Merlet , Alexander C. Forse , John M. Griffin , Daan Frenkel , Clare P. Grey

We present a method of Gaussian-beam-mode decomposition to calculate classical diffraction of optical beams by apertures. This method offers a entirely different approach to examine the classic problem. Although our method is based on a…

Periodical spatial modulation of the excitonic resonance in a quantum well could lead to the formation of a new highly directional and resonant coherent optical response -- resonant diffraction. Such excitonic diffraction gratings were…

Mesoscale and Nanoscale Physics · Physics 2019-09-04 P. Yu. Shapochkin , Yu. V. Petrov , S. A. Eliseev , V. A. Lovcjus , Yu. P. Efimov , Yu. V. Kapitonov

Diffusive transport properties of a quantum Brownian particle moving in a tilted spatially periodic potential and strongly interacting with a thermostat are explored. Apart from the average stationary velocity, we foremost investigate the…

Statistical Mechanics · Physics 2009-11-11 L. Machura , M. Kostur , P. Talkner , J. Luczka , P. Hänggi

X-ray diffraction is ideal for probing sub-surface state during complex or rapid thermomechanical loading of crystalline materials. However, challenges arise as the size of diffraction volumes increases due to spatial broadening and…

Materials Science · Physics 2025-01-10 Rachel E. Lim , Shun-Li Shang , Chihpin Chuang , Thien Q. Phan , Zi-Kui Liu , Darren C. Pagan

We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…

Materials Science · Physics 2017-02-16 Stefan Löffler , Viktoria Motsch , Peter Schattschneider

Crystal property prediction, governed by quantum mechanical principles, is computationally prohibitive to solve exactly for large many-body systems using traditional density functional theory. While machine learning models have emerged as…

Materials Science · Physics 2026-01-28 Bin Cao , Yang Liu , Longhan Zhang , Yifan Wu , Zhixun Li , Yuyu Luo , Hong Cheng , Yang Ren , Tong-Yi Zhang

We develop a theory for the trajectory of an x ray in the presence of a crystal deformation. A set of equations of motion for an x-ray wave packet including the dynamical diffraction is derived, taking into account the Berry phase as a…

Materials Science · Physics 2007-05-23 Kei Sawada , Shuichi Murakami , Naoto Nagaosa

Fractional equations have become the model of choice in several applications where heterogeneities at the microstructure result in anomalous diffusive behavior at the macroscale. In this work we introduce a new fractional operator…

Numerical Analysis · Mathematics 2021-01-29 Marta D'Elia , Christian Glusa

One highly desirable function of a diffraction grating is its ability to deflect incident light into a specific diffraction order with near-perfect efficiency. While such asymmetry can be achieved in a variety of ways, e.g., by using a…

The paper describes a novel methodology of designing granular phononic crystals for acoustic wave manipulations. A discrete element method is utilized to model the dynamics of a pulse wave propagating through the densely packed assembly of…

Materials Science · Physics 2022-02-22 Igor Ostanin , Hongyang Cheng , Vanessa Magnanimo

A method for estimating the relative content of crystalline phases of a multiphase sample, based on probabilistic analysis of the intensities of the diffraction pattern reflexes, has been developed. The method is based on the introduction…

Materials Science · Physics 2023-11-21 S. V. Gabielkov , I. V. Zhyganiuk , A. D. Skorbun

Metasurfaces have attracted extensive interests due to their ability to locally manipulate optical parameters of light and easy integration to complex optical systems. Particularly, metasurfaces can provide a novel platform for splitting…

We present a dynamic model to study ordering of particles on arbitrary curved surfaces. Thereby the particles are represented as maxima in a density field and a surface partial differential equation for the density field is solved to the…

Materials Science · Physics 2010-03-02 Rainer Backofen , Axel Voigt , Thomas Witkowski

We show how generative machine learning can be used for the rapid computation of strongly dynamical electron diffraction directly from crystal structures, specifically in large-angle convergent-beam electron diffraction (LACBED) patterns.…

Materials Science · Physics 2025-07-31 Joseph J. Webb , Richard Beanland , Rudolf A. Römer

Ultrafast nanocrystallography has the potential to revolutionize biology by enabling structural elucidation of proteins for which it is possible to grow crystals with 10 or fewer unit cells on the side. The success of nanocrystallography…

Optics · Physics 2012-09-24 F. R. N. C. Maia , C. Yang , S. Marchesini

Grazing incidence fast atom diffraction has mainly been investigated with helium atoms, considered as the best possible choice for surface analysis. This article presents experimental diffraction profiles recorded with neon projectile,…

Chemical Physics · Physics 2023-10-24 Maxime Debiossac , Peng Pan , Philippe Roncin

We experimentally demonstrate how to solve the phase problem of diffraction using multi-wave interference with standard diffraction experimental setups without the need for taking any auxiliary data. In particular, we show that the phases…

Optics · Physics 2021-05-04 M. Fally , Y. Tomita , A. Fimia , R. F. Madrigal , J. Guo , J. Kohlbrecher , J. Klepp
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