Search Results - "diffraction patterns"
-
1
Idealized powder diffraction patterns for cellulose polymorphs
ISSN: 0969-0239, 1572-882XPublished: Dordrecht Springer-Verlag 01.04.2014Published in Cellulose (London) (01.04.2014)“… In the present work, powder diffraction patterns from cellulose Iα, Iβ, II, IIII, and IIIII were calculated based on the published atomic coordinates and unit cell dimensions contained in modified…”
Get full text
Journal Article -
2
Phase retrieval from coded diffraction patterns
ISSN: 1063-5203, 1096-603XPublished: Elsevier Inc 01.09.2015Published in Applied and computational harmonic analysis (01.09.2015)“… We study a physically realistic setup where one can modulate the signal of interest and then collect the intensity of its diffraction pattern, each modulation thereby producing a sort of coded diffraction pattern…”
Get full text
Journal Article -
3
Orientation and diffraction patterns of δ-Ni2Si precipitates in Cu–Ni–Si alloy
ISSN: 0925-8388, 1873-4669Published: Kidlington Elsevier B.V 25.04.2013Published in Journal of alloys and compounds (25.04.2013)“… ► The orientation relationships of six variants of δ-Ni2Si with Cu are determined. ► Two diffraction pattern models are simulated which match the experimental results…”
Get full text
Journal Article -
4
Segal crystallinity index revisited by the simulation of X-ray diffraction patterns of cotton cellulose Iβ and cellulose II
ISSN: 0144-8617, 1879-1344Published: England Elsevier Ltd 01.01.2016Published in Carbohydrate polymers (01.01.2016)“…•The X-ray diffraction patterns of control and mercerized cotton fibers were simulated with perfect cellulose Iβ…”
Get full text
Journal Article -
5
ProLEED Studio : software for modeling low-energy electron diffraction patterns
ISSN: 1600-5767, 0021-8898, 1600-5767Published: United States Blackwell Publishing Ltd 01.02.2024Published in Journal of applied crystallography (01.02.2024)“…Low-energy electron diffraction patterns contain precise information about the structure of the surface studied…”
Get full text
Journal Article -
6
Perfect Control of Diffraction Patterns with Phase-Gradient Metasurfaces
ISSN: 1944-8252, 1944-8252Published: United States 13.04.2022Published in ACS applied materials & interfaces (13.04.2022)“…Phase-gradient metasurfaces (PGMs) constitute an efficient platform for deflection of a beam in a desired direction. According to the generalized Snell's law,…”
Get more information
Journal Article -
7
A comparative approach for estimating microstructural characteristics of BaTi1−xZrxO3 (0.0 ≤ x ≤ 0.3) nanoparticles via X-ray diffraction patterns
ISSN: 0928-0707, 1573-4846Published: New York Springer US 01.06.2024Published in Journal of sol-gel science and technology (01.06.2024)“…Barium titanate materials are currently a special topic for scientific research due to their effective technological applications. The tetragonal BaTi 1-x Zr x…”
Get full text
Journal Article -
8
Rapid Identification of X-ray Diffraction Patterns Based on Very Limited Data by Interpretable Convolutional Neural Networks
ISSN: 1549-960X, 1549-960XPublished: United States 27.04.2020Published in Journal of chemical information and modeling (27.04.2020)“…Large volumes of data from material characterizations call for rapid and automatic data analysis to accelerate materials discovery. Herein, we report a…”
Get more information
Journal Article -
9
XRDlicious: an interactive web‐based platform for online calculation of diffraction patterns and radial distribution functions from crystal structures
ISSN: 1600-5767, 0021-8898, 1600-5767Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.10.2025Published in Journal of applied crystallography (01.10.2025)“…XRDlicious is an online computational tool for calculating powder X‐ray diffraction and neutron diffraction patterns (diffractograms…”
Get full text
Journal Article -
10
Automated prediction of lattice parameters from X‐ray powder diffraction patterns
ISSN: 1600-5767, 0021-8898, 1600-5767Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.12.2021Published in Journal of applied crystallography (01.12.2021)“…A key step in the analysis of powder X‐ray diffraction (PXRD) data is the accurate determination of unit‐cell lattice parameters. This step often requires…”
Get full text
Journal Article -
11
EDP2XRD: a computer program for converting electron diffraction patterns into X-ray diffraction patterns
ISSN: 1600-5767, 1600-5767Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.04.2016Published in Journal of applied crystallography (01.04.2016)“…Mny commercial software packages for X‐ray diffraction pattern analysis are capable of identifying multiple phases in bulk materials. However, X…”
Get full text
Journal Article -
12
Explainable machine learning for diffraction patterns
ISSN: 1600-5767, 0021-8898, 1600-5767Published: United States Blackwell Publishing Ltd 01.10.2023Published in Journal of applied crystallography (01.10.2023)“…Serial crystallography experiments at X-ray free-electron laser facilities produce massive amounts of data but only a fraction of these data are useful for…”
Get full text
Journal Article -
13
Perovskite or Not Perovskite? A Deep‐Learning Approach to Automatically Identify New Hybrid Perovskites from X‐ray Diffraction Patterns
ISSN: 0935-9648, 1521-4095, 1521-4095Published: Weinheim Wiley Subscription Services, Inc 01.10.2022Published in Advanced materials (Weinheim) (01.10.2022)“…‐ray diffraction patterns. This strategy is used to distinguish perovskite‐type materials in a series of new hybrid lead halides…”
Get full text
Journal Article -
14
Simulating Powder X-ray Diffraction Patterns of Two-Dimensional Materials
ISSN: 1520-510X, 1520-510XPublished: United States 17.12.2018Published in Inorganic chemistry (17.12.2018)“…Powder X-ray diffraction (PXRD) is widely used to study atomic arrangements in ordered materials. The Bragg equation, which describes diffraction of a…”
Get more information
Journal Article -
15
MuscleX: data analysis software for fiber diffraction patterns from muscle
ISSN: 1600-5775, 0909-0495, 1600-5775Published: 5 Abbey Square, Chester, Cheshire CH1 2HU, England International Union of Crystallography 01.09.2024Published in Journal of synchrotron radiation (01.09.2024)“…‐ray fiber diffraction patterns from striated muscle and other fibrous systems. It is written in Python and runs on Linux, Microsoft Windows or macOS…”
Get full text
Journal Article -
16
Crystal Structure Assignment for Unknown Compounds from X-ray Diffraction Patterns with Deep Learning
ISSN: 1520-5126, 1520-5126Published: United States 27.03.2024Published in Journal of the American Chemical Society (27.03.2024)“…Determining the structures of previously unseen compounds from experimental characterizations is a crucial part of materials science. It requires a step of…”
Get more information
Journal Article -
17
On the origin of diffuse intensities in fcc electron diffraction patterns
ISSN: 0028-0836, 1476-4687, 1476-4687Published: London Nature Publishing Group UK 26.10.2023Published in Nature (London) (26.10.2023)“…Interpreting diffuse intensities in electron diffraction patterns can be challenging in samples with high atomic-level complexity, as often is the case with multi-principal element alloys…”
Get full text
Journal Article -
18
Symmetry prediction and knowledge discovery from X-ray diffraction patterns using an interpretable machine learning approach
ISSN: 2045-2322, 2045-2322Published: London Nature Publishing Group UK 11.12.2020Published in Scientific reports (11.12.2020)“…Determination of crystal system and space group in the initial stages of crystal structure analysis forms a bottleneck in material science workflow that often…”
Get full text
Journal Article -
19
X-ray diffraction patterns of graphite and turbostratic carbon
ISSN: 0008-6223, 1873-3891Published: Oxford Elsevier Ltd 01.07.2007Published in Carbon (New York) (01.07.2007)“…To identify the influence of microstructural variation on the X-ray diffraction intensities, X-ray diffraction patterns of hexagonal graphite (h-graphite…”
Get full text
Journal Article -
20
Improved recovery guarantees for phase retrieval from coded diffraction patterns
ISSN: 1063-5203, 1096-603XPublished: Elsevier Inc 01.01.2017Published in Applied and computational harmonic analysis (01.01.2017)“…In this work we analyze the problem of phase retrieval from Fourier measurements with random diffraction patterns…”
Get full text
Journal Article