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The electromagnetic properties of 2D materials are modeled either as single sheets with a surface susceptibility or conductivity, or as thin films of finite thickness with an effective permittivity. Their intrinsic anisotropy, however, has…

We analyze the occurrence of in-plane anisotropy in the electronic, magnetic, elastic and transport properties of more than one thousand 2D materials from the C2DB database. We identify hundreds of anisotropic materials and classify them…

Determination of crystal structures of nanocrystalline or amorphous compounds is a great challenge in solid states chemistry and physics. Pair distribution function (PDF) analysis of X-Ray or neutron total scattering data has proven to be a…

材料科学 · 物理学 2025-07-14 Magnus Kløve , Sanna Sommer , Bo B. Iversen , Bjørk Hammer , Wilke Dononelli

We demonstrate spatial mapping of the local and nano-scale structure of thin film objects using spatially resolved PDF analysis of synchrotron x-ray diffraction data. This is demonstrated in a lab-on-chip combinatorial array of sample spots…

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…

A general spherical harmonics method is described for extracting anisotropic pair distribution functions (PDF) in this work. In the structural study of functional crystallized materials, the investigation of the local structures under the…

材料科学 · 物理学 2022-07-05 Guanjie Zhang , Hui Liu , Jun Chen , He Lin , Nan Zhang

Organic semiconductors tend to self-assemble into highly ordered and oriented morphologies with anisotropic optical properties. Studying these optical anisotropies provides insight into processing-dependent structural properties and informs…

材料科学 · 物理学 2016-11-03 Steven J. Brown , Ruth A. Schlitz , Michael L. Chabinyc , Jon A. Schuller

Characterization of structural diversity within soft materials is key for engineering new materials for various applications. Small-angle scattering (SAS) is a widely used characterization technique that provides structural information in…

软凝聚态物质 · 物理学 2024-03-29 Sri Vishnuvardhan Reddy Akepati , Nitant Gupta , Arthi Jayaraman

Coherent X-ray scattering techniques are critical for investigating the fundamental structural properties of materials at the nanoscale. While advancements have made these experiments more accessible, real-time analysis remains a…

机器学习 · 计算机科学 2025-07-21 Aileen Luo , Tao Zhou , Ming Du , Martin V. Holt , Andrej Singer , Mathew J. Cherukara

We explore data reduction and correction steps and processed data reproducibility in the emerging single crystal total scattering based technique of three-dimensional differential atomic pair distribution function (3D-$\Delta$PDF) analysis.…

We demonstrate the feasibility of obtaining accurate pair distribution functions of thin amorphous films down to 80 nm, using modern laboratory-based x-ray sources. The pair distribution functions are obtained using a single diffraction…

材料科学 · 物理学 2024-03-20 Johan Bylin , Vassilios Kapaklis , Gunnar K. Pálsson

Machine learning has revolutionized materials discovery, but data scarcity remains a critical bottleneck for complex functional properties. As emerging systems, two-dimensional (2D) materials possess limited overall data volumes. Evaluating…

材料科学 · 物理学 2026-05-26 Huiyang Zhang , Xinyu Chen , Qionghua Zhou , Jinlan Wang

Time-resolved X-ray scattering patterns from photoexcited molecules in solution are in many cases anisotropic at the ultrafast time scales accessible at X-ray Free Electron Lasers (XFELs). This anisotropy arises from the interaction of a…

We show that the symmetries of image formation by scattering enable graph-theoretic manifold-embedding techniques to extract structural and timing information from simulated and experimental snapshots at extremely low signal. The approach…

计算物理 · 物理学 2011-09-27 Peter Schwander , Chun Hong Yoon , Abbas Ourmazd , Dimitrios Giannakis

X-ray Bragg coherent diffraction imaging has been demonstrated as a powerful three-dimensional (3D) microscopy approach for the investigation of sub-micrometer-scale crystalline particles. It is based on the measurement of a series of…

In this paper, we extend a recently developed machine-learning (ML) based CREASE-2D method to analyze the entire two-dimensional (2D) scattering pattern obtained from small angle X-ray scattering measurements of supramolecular dipeptide…

软凝聚态物质 · 物理学 2025-04-08 Nitant Gupta , Sri V. V. R. Akepati , Simona Bianco , Jay Shah , Dave J. Adams , Arthi Jayaraman

We demonstrate dark-field x-ray microtomography in a compact, laboratory-based system capable of resolving attenuation, phase, and anisotropic scattering signals with micrometer-scale resolution across centimetre-scale samples. The method…

While isotropic in-plane swelling problems for thin elastic sheets have been studied extensively in recent years, many shape-programmable materials, including nematic solids and 3D-printed structures, are anisotropic, as are most industrial…

软凝聚态物质 · 物理学 2021-05-25 H. G. Wood , J. A. Hanna

SUePDF is a graphic-user-interface program written in MATLAB to achieve quantitative pair distribution functions (PDF) from electron diffraction data. The program facilitates the structural studies of amorphous materials and small…

材料科学 · 物理学 2017-08-24 Dung Trung Tran , Gunnar Svensson , Cheuk-Wai Tai
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