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Most material discrimination in security inspections is based on dual-energy x-ray imaging, which enables the determination of a material's effective atomic number (Zeff) as well as electron density and its consequent classification as…

Materials Science · Physics 2023-08-16 A. Astolfo , I. G. Haig , D. Bate , A. Olivo , P. Modregger

This paper proposes a novel multimodal deep learning framework integrating bidirectional LSTM, multi-head attention mechanism, and variational mode decomposition (BiLSTM-AM-VMD) for early liver cancer diagnosis. Using heterogeneous data…

Machine Learning · Computer Science 2025-09-03 Cheng Cheng , Zeping Chen , Xavier Wang

Energy-dispersive X-ray diffraction (EDXRD) is extremely insensitive to sample morphology when implemented in a back-reflection geometry. The capabilities of this non-invasive technique for cultural heritage applications have been explored…

Instrumentation and Detectors · Physics 2021-11-19 Craig I. Hiley , Graeme M. Hansford , Nicholas Eastaugh

Machine learning algorithms based on artificial neural networks have proven very useful for a variety of classification problems. Here we apply them to a well-known problem in crystallography, namely the classification of X-ray diffraction…

Disordered Systems and Neural Networks · Physics 2019-06-19 Pascal Marc Vecsei , Kenny Choo , Johan Chang , Titus Neupert

Crystal structure prediction for a given chemical composition has long been a challenge in condensed-matter science. We have recently shown that experimental powder X-ray diffraction (XRD) data are helpful in a crystal structure search…

Materials Science · Physics 2023-01-30 Seiji Yoshikawa , Ryuhei Sato , Ryosuke Akashi , Synge Todo , Shinji Tsuneyuki

The use of coherent x-ray beams has been greatly developing for the past decades. They are now used by a wide scientific community to study biological materials, phase transitions in crystalline materials, soft matter, magnetism, strained…

Materials Science · Physics 2010-09-01 V. L. R. Jacques , S. Ravy , D. Le Bolloc'h , E. Pinsolle , M. Sauvage-Simkin , F. Livet

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

X-ray spectroscopy is one of the most powerful tools to access structure and properties of matter in different states of aggregation as it allows to trace atomic and molecular energy levels in course of various physical and chemical…

Chemical Physics · Physics 2019-06-12 Sergey I. Bokarev , Oliver Kühn

This is a short review of recent x-ray diffraction studies of the phases and phase transitions of thermotropic liquid crystals. The areas covered are twist-grain-boundary phases, antiferroelectric phases studied with resonant x-ray…

Soft Condensed Matter · Physics 2007-05-23 P. S. Clegg

Recent advances in 3D object detection (3DOD) have obtained remarkably strong results for LiDAR-based models. In contrast, surround-view 3DOD models based on multiple camera images underperform due to the necessary view transformation of…

Computer Vision and Pattern Recognition · Computer Science 2023-03-07 Marvin Klingner , Shubhankar Borse , Varun Ravi Kumar , Behnaz Rezaei , Venkatraman Narayanan , Senthil Yogamani , Fatih Porikli

Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…

In powder diffraction data analysis, phase identification is the process of determining the crystalline phases in a sample using its characteristic Bragg peaks. For multiphasic spectra, we must also determine the relative weight fraction of…

Machine Learning · Computer Science 2022-10-21 Patrick Hosein , Jaimie Greasley

The discovery of new structural and functional materials is driven by phase identification, often using X-ray diffraction (XRD). Automation has accelerated the rate of XRD measurements, greatly outpacing XRD analysis techniques that remain…

Material properties strongly depend on the nature and concentration of defects. Characterizing these features may require nano- to atomic-scale resolution to establish structure-property relationships. 4D-STEM, a technique where diffraction…

Materials Science · Physics 2023-05-03 Stephanie M. Ribet , Colin Ophus , Roberto dos Reis , Vinayak P. Dravid

Properties of crystalline materials are closely linked to microstructure arising from the spatial arrangement, orientation, and phase of nanocrystals. Rapid characterization of crystalline microstructure can accelerate the identification of…

Materials Science · Physics 2026-02-16 Kwanghwi Je , Ellis R. Kennedy , Sungin Kim , Yao Yang , Erik H. Thiede

We present the design methodology of a light reconfigurable geometric phase optical element with multi-stable diffraction efficiency states, enabled by a photoresponsive self-organized chiral liquid crystal. Experimental demonstration shows…

The revolution in materials in the past century was built on a knowledge of the atomic arrangements and the structure-property relationship. The sine qua non for obtaining quantitative structural information is single crystal…

Computational Physics · Physics 2023-12-27 Gabe Guo , Judah Goldfeder , Ling Lan , Aniv Ray , Albert Hanming Yang , Boyuan Chen , Simon JL Billinge , Hod Lipson

The XDEM multi-physics and multi-scale simulation platform roots in the Ex- tended Discrete Element Method (XDEM) and is being developed at the In- stitute of Computational Engineering at the University of Luxembourg. The platform is an…

Computational Engineering, Finance, and Science · Computer Science 2018-08-27 Bernhard Peters , Maryam Baniasadi , Mehdi Baniasadi , Xavier Besseron , Alvaro Estupinan Donoso , Mohammad Mohseni , Gabriele Pozzetti

Determining crystal structures from experimental powder X-ray diffraction data remains challenging because peak overlap, preferred orientation, and impurity phases obscure atomic arrangements. We present RealPXRD-Solver, a generative model…

Fundamental differences between materials originate from the unique nature of their constituent chemical elements. Before specific differences emerge according to the precise ratios of elements in a given crystal structure, a material can…