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The diffraction technique is widely used in the determination of crystal structures and is one of the bases for the modern science and technology. All related structure determination methods are based on the assumption that perfect single…

Materials Science · Physics 2020-08-25 Yihan Shen , Yibin Jiang , Jianhua Lin , Cheng Wang , Junliang Sun

Due to limited size and imperfect of the optical components in a spectrometer, aberration has inevitably been brought into two-dimensional multi-fiber spectrum image in LAMOST, which leads to obvious spacial variation of the point spread…

Instrumentation and Methods for Astrophysics · Physics 2020-10-28 Jiali Xu , Qian Yin , Ping Guo , Xin Zheng

Small-angle X-ray and neutron scattering experiments are used in many fields of the life sciences and condensed matter research to obtain answers to questions about the shape and size of nano-sized structures, typically in the range of 1 to…

Data Analysis, Statistics and Probability · Physics 2015-06-10 Ingo Breßler , Joachim Kohlbrecher , Andreas F. Thünemann

The basic problem of shape complementarity analysis appears fundamental to applications as diverse as mechanical design, assembly automation, robot motion planning, micro- and nano-fabrication, protein-ligand binding, and rational drug…

Computational Geometry · Computer Science 2017-12-05 Morad Behandish , Horea T. Ilies

Kernelized Stein discrepancy (KSD), though being extensively used in goodness-of-fit tests and model learning, suffers from the curse-of-dimensionality. We address this issue by proposing the sliced Stein discrepancy and its scalable and…

Machine Learning · Computer Science 2021-03-18 Wenbo Gong , Yingzhen Li , José Miguel Hernández-Lobato

Pattern matching between target electron backscatter patterns (EBSPs) and dynamically simulated EBSPs was used to determine the pattern centre (PC) and crystal orientation, using a global optimisation algorithm. Systematic analysis of error…

Materials Science · Physics 2019-04-16 Tomohito Tanaka , Angus J. Wilkinson

The launch of the Nuclear Spectroscopic Telescope Array (NuSTAR) heralded a new era of sensitive high energy X-ray spectroscopy for X-ray binaries (XRBs). In this paper we show how multiple physical parameters can be measured from the…

High Energy Astrophysical Phenomena · Physics 2019-01-16 M. L. Parker , D. J. K. Buisson , J. A. Tomsick , A. C. Fabian , K. K. Madsen , D. J. Walton , F. Furst

Deformation band patterning in single crystals is investigated using a finite strain crystal viscoplasticity model based on the evolution of dislocation densities. In the presence of strong latent hardening and weak rate dependence, the…

Materials Science · Physics 2025-07-02 Jean-Michel Scherer

Determining crystal structures from X-ray diffraction data is fundamental across diverse scientific fields, yet remains a significant challenge when data is limited to low resolution. While recent deep learning models have made…

Materials Science · Physics 2025-10-22 Jiale Zhao , Cong Liu , Yuxuan Zhang , Chengyue Gong , Zhenyi Zhang , Shifeng Jin , Zhenyu Liu

The recently developed information-theoretic approach to crystallographic symmetry classifications and quantifications in two dimensions (2D) from digital transmission electron and scanning probe microscope images is adapted for the…

Materials Science · Physics 2022-02-15 Peter Moeck , Lukas von Koch

Split-pulse x-ray photon correlation spectroscopy has been proposed as one of the unique capabilities made possible with the x-ray free electron lasers. It enables characterization of atomic scale structural dynamics that dictates the…

Instrumentation and Detectors · Physics 2020-05-06 Yanwen Sun , Mike Dunne , Paul Fuoss , Taito Osaka , Aymeric Robert , Mark Sutton , Makina Yabashi , Diling Zhu

Scoring matching (SM), and its related counterpart, Stein discrepancy (SD) have achieved great success in model training and evaluations. However, recent research shows their limitations when dealing with certain types of distributions. One…

Machine Learning · Computer Science 2021-07-22 Wenbo Gong , Yingzhen Li

Shifted partial derivative (SPD) methods are a central algebraic tool for circuit lower bounds, measuring the dimension of spaces of shifted derivatives of a polynomial. We develop the Shifted Partial Derivative Polynomial (SPDP) framework,…

Computational Complexity · Computer Science 2025-12-25 Darren J. Edwards

Reconstructing articulated objects prevalent in daily environments is crucial for applications in augmented/virtual reality and robotics. However, existing methods face scalability limitations (requiring 3D supervision or costly…

For high (angular) resolution electron backscatter diffraction (HR-EBSD), the selection of a reference diffraction pattern (EBSP0) significantly affects the precision of the calculated strain and rotation maps. This effect was demonstrated…

Materials Science · Physics 2023-02-21 Abdalrhaman Koko , Vivian Tong , Angus J. Wilkinson , T. James Marrow

We present the first world-wide inter-laboratory comparison of small-angle X-ray scattering (SAXS) for nanoparticle sizing. The measurands in this comparison are the mean particle radius, the width of the size distribution and the particle…

Data Analysis, Statistics and Probability · Physics 2017-08-22 Brian R. Pauw , Claudia Kästner , Andreas F. Thünemann

This paper is a theoretical and numerical study of the uniform growth of a repeating sinusoidal imperfection in the line of a strut on a nonlinear elastic Winkler type foundation. The imperfection is introduced by considering an initially…

Classical Physics · Physics 2021-01-29 Romain Lagrange , Daniel Averbuch

Material microstructures are traditionally compared using sets of statistical measures that are incomplete, e.g., two visually distinct microstructures can have identical grain size distributions and phase fractions. While this is not a…

Computational Physics · Physics 2025-10-14 Dylan Miley , Ethan Suwandi , Benjamin Schweinhart , Jeremy K Mason

The purpose of sufficient dimension reduction (SDR) is to find the low-dimensional subspace of input features that is sufficient for predicting output values. In this paper, we propose a novel distribution-free SDR method called sufficient…

Machine Learning · Statistics 2011-03-28 Makoto Yamada , Gang Niu , Jun Takagi , Masashi Sugiyama

This work proposes an innovative approach to improve Bragg coherent diffraction imaging (BCDI) microscopy applied to time evolving crystals and/or non-homogeneous crystalline strain fields, identified as two major limitations of BCDI…

Optics · Physics 2024-03-12 I. Calvo-Almazán , V. Chamard , T. Grünewald , M. Allain
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