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Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semi-empirical model for anharmonic couplings of third and…

Materials Science · Physics 2015-05-20 K. H. Michel , S. Costamagna , F. M. Peeters

Structured, periodic optical materials can be used to form photonic crystals capable of dispersing, routing, and trapping light. A similar phenomena in periodic elastic structures can be used to manipulate mechanical vibrations. Here we…

The objective of this article is to study the behavior of electromagnetic field under X-ray diffraction by time-dependent deformed crystals. Derived system of differential equations looks like the Takagi equations in the case of…

Computational Physics · Physics 2007-05-23 Svetlana Sytova

In this paper, based on the analysis of the formula (2.2) for calculating the elastic scattering diagrams of microparticles on a multilayer crystal surface, derived by the author in the article [3], it is shown that the stochastic approach…

General Physics · Physics 2021-10-04 Mikhail Batanov-Gaukhman

Ion Coulomb crystals are currently establishing themselves as a highly controllable test-bed for mesoscopic systems of statistical mechanics. The detailed experimental interrogation of the dynamics of these crystals however remains an…

Quantum Physics · Physics 2015-05-05 A. Lemmer , C. Cormick , C. T. Schmiegelow , F. Schmidt-Kaler , M. B. Plenio

Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…

Materials Science · Physics 2024-07-09 Stefano Racioppi , Alberto Otero De la Roza , Samad Hajinazar , Eva Zurek

Four-dimensional scanning transmission electron microscopy (4D-STEM) enables mapping of diffraction information with nanometer-scale spatial resolution, offering detailed insight into local structure, orientation, and strain. However, as…

This paper develops a general data-driven approach to stochastic elastoplastic modelling that leverages atomistic simulation data directly rather than by fitting parameters. The approach is developed in the context of metallic glasses,…

Statistical Mechanics · Physics 2024-10-02 Bin Xu , Zhao Wu , Jiayin Lu , Michael D. Shields , Chris H. Rycroft , Franz Bamer , Michael L. Falk

The theory of Bloembergen and Pershan for the light waves at the boundary of nonlinear media is extended to a nonlinear two-dimensional atomic crystal, i.e. a single planar atomic lattice, placed in between linear bulk media. The crystal is…

Optics · Physics 2016-01-20 Michele Merano

Techniques for training artificial neural networks (ANNs) and convolutional neural networks (CNNs) using simulated dynamical electron diffraction patterns are described. The premise is based on the following facts. First, given a suitable…

Mesoscale and Nanoscale Physics · Physics 2021-03-08 Renliang Yuan , Jiong Zhang , Lingfeng He , Jian-Min Zuo

Given recipe of qualitative, kinetic modelling by geometric methods of three-dimensional dendritic crystals. Characteristic features of the perturbations appearing on the surface of a spherical body, leading to different scenarios of the…

Materials Science · Physics 2018-10-05 Alexander S. Prokhoda

In coherent X-ray diffraction microscopy the diffraction pattern generated by a sample illuminated with coherent x-rays is recorded, and a computer algorithm recovers the unmeasured phases to synthesize an image. By avoiding the use of a…

We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces the number of features required to…

Materials Science · Physics 2024-02-15 Ethan P. Shapera , Dejan-Krešimir Bučar , Rohit P. Prasankumar , Christoph Heil

Machine learning algorithms have been available since the 1990s, but it is much more recently that they have come into use also in the physical sciences. While these algorithms have already proven to be useful in uncovering new properties…

Computational Physics · Physics 2020-05-13 Higor Y. D. Sigaki , Ervin K. Lenzi , Rafael S. Zola , Matjaz Perc , Haroldo V. Ribeiro

Current quantum cascade lasers based upon conduction band electron transitions are predominantly TM (electrical field normal to the epitaxial direction) polarized. Here we present a study of localized defect modes, with the requisite TM…

Optics · Physics 2007-05-23 Kartik Srinivasan , Oskar Painter

Crystal structures are defined by the periodic arrangement of atoms in 3D space, inherently making them equivariant to SO(3) group. A fundamental requirement for crystal property prediction is that the model's output should remain invariant…

Computational Engineering, Finance, and Science · Computer Science 2025-10-24 Haowei Hua , Wanyu Lin

Twisting and stacking two copies of a 2D crystal can produce a long-wavelength periodic interference pattern known as a moir\'e pattern. Performing the same procedure with an aperiodic structure instead generates a single moir\'e spot at…

Disordered Systems and Neural Networks · Physics 2025-11-04 Aaron Dunbrack

Elastic constants of two-dimensional (2D) colloidal crystals are determined by measuring strain fluctuations induced by Brownian motion of particles. Paramagnetic colloids confined to an air-water interface of a pending drop are…

Condensed Matter · Physics 2009-11-07 K. Zahn , A. Wille , G. Maret , S. Sengupta , P. Nielaba

X-ray scattering is one of the primary tools to determine crystallographic configuration with atomic accuracy. However, the measurement of ultrafast structural dynamics in monolayer crystals remains a long-standing challenge due to a…

Twisted 2D material heterostructures provide an exciting platform for investigating new fundamental physical phenomena. Many of the most interesting behaviours emerge at small twist angles, where the materials reconstruct to form areas of…