Journal of Applied Crystallography最新文献_第3页

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-28

引用次数: 0

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-28

引用次数: 0

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-28

引用次数: 0

Principal component analysis luminescence thermometry of Ce3+ – case study of BaF2:Ce3+ single crystals Ce3+的主成分分析发光测温-以BaF2:Ce3+单晶为例

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-28 DOI: 10.1107/S160057672500679X

Aleksandar Ćirić, Marius Stef, Gabriel Buse, Jovana Periša, Zoran Ristić, Tamara Gavrilović, Miroslav D. Dramićanin

{"title":"Principal component analysis luminescence thermometry of Ce3+ – case study of BaF2:Ce3+ single crystals","authors":"Aleksandar Ćirić, Marius Stef, Gabriel Buse, Jovana Periša, Zoran Ristić, Tamara Gavrilović, Miroslav D. Dramićanin","doi":"10.1107/S160057672500679X","DOIUrl":"https://doi.org/10.1107/S160057672500679X","url":null,"abstract":"Luminescence thermometry based on Ce3+-doped materials is limited by the lack of well separated emission bands and the nanosecond timescale of the 4f–5d transition, which complicate conventional temperature-readout methods. In this work, we demonstrate the application of principal component analysis (PCA) to enhance the temperature sensitivity of BaF2:Ce3+ single crystals. A crystal was grown by the vertical Bridgman method and characterized structurally and spectroscopically. Temperature-dependent photoluminescence spectra were recorded in the 300–550 K range under 270 nm LED excitation. PCA was applied to the emission spectra, enabling dimensionality reduction and extraction of a principal component (PC1) that exhibits a strong monotonic dependence on temperature. This PCA-based method achieves an average temperature resolution of ∼1 K, overcoming the limitations of traditional luminescence intensity ratio techniques for Ce3+ systems. These results highlight the potential of PCA for practical high-precision luminescence thermometry using Ce3+-doped materials.","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 5","pages":"1659-1664"},"PeriodicalIF":2.8,"publicationDate":"2025-08-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-13

引用次数: 0

Computational and experimental investigation into the effect of the free surface, X-ray elastic constant model and orientation distribution function used in X-ray stress analysis x射线应力分析中自由表面、x射线弹性常数模型和取向分布函数影响的计算与实验研究

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-13 DOI: 10.1107/S1600576725006053

Thomas Gnaupel-Herold, Adam Creuziger

{"title":"Computational and experimental investigation into the effect of the free surface, X-ray elastic constant model and orientation distribution function used in X-ray stress analysis","authors":"Thomas Gnaupel-Herold, Adam Creuziger","doi":"10.1107/S1600576725006053","DOIUrl":"https://doi.org/10.1107/S1600576725006053","url":null,"abstract":"X-ray stress analysis requires accurate X-ray elastic constants (XECs). One of the challenges for XEC calculation is that the modelling approach, preferred orientation and, to a lesser extent, the free surface affect the result. In this work, we investigate these factors. The surface effect is calculated under the assumption that within a surface layer the Poisson action along the normal direction caused by in-plane stresses must not be impeded by grain–matrix interaction in the normal direction due to the free surface. The model is evaluated for the pure surface effect for zero penetration and for a layer thickness equal to the grain size; the latter is calculated as the attenuation-weighted depth average of the surface grain layer and the bulk. Further comparisons are made with other XEC models and with measured XECs for different lattice planes (hkl), different X-ray wavelengths and varying penetration depths. The effect of preferred orientation is studied through variations of the grain orientation distribution function (ODF). It was found that the pure-surface-effect model performed best. ODF variations can significantly affect the XECs of individual (hkl), while the effect on the (hkl) average appears small.","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 5","pages":"1643-1652"},"PeriodicalIF":2.8,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237126","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Desmearing two-dimensional small-angle neutron scattering data by central moment expansions 用中心矩展开分解二维小角中子散射数据

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-13 DOI: 10.1107/S1600576725006582

Guan-Rong Huang, Chi-Huan Tung, Weijian Hua, Yifei Jin, Lionel Porcar, Yuya Shinohara, Christoph U. Wildgruber, Changwoo Do, Wei-Ren Chen

{"title":"Desmearing two-dimensional small-angle neutron scattering data by central moment expansions","authors":"Guan-Rong Huang, Chi-Huan Tung, Weijian Hua, Yifei Jin, Lionel Porcar, Yuya Shinohara, Christoph U. Wildgruber, Changwoo Do, Wei-Ren Chen","doi":"10.1107/S1600576725006582","DOIUrl":"https://doi.org/10.1107/S1600576725006582","url":null,"abstract":"Resolution smearing is a critical challenge in the quantitative analysis of two-dimensional small-angle neutron scattering (SANS) data, particularly in studies of soft-matter flow and deformation using SANS. We present a central moment expansion technique to address smearing in anisotropic scattering spectra, offering a model-free desmearing methodology. By accounting for directional variations in resolution smearing and enhancing computational efficiency, this approach reconstructs desmeared intensity distributions from smeared experimental data. Computational benchmarks using interacting hard-sphere fluids and Gaussian chain models validate the accuracy of the method, while simulated noise analyses confirm its robustness under experimental conditions. Experimental validation using rheological SANS data from shear-induced micellar structures demonstrates the practicality and effectiveness of the proposed algorithm. The desmearing technique provides a powerful tool for advancing the quantitative analysis of anisotropic scattering patterns, enabling precise insights into the interplay between material microstructure and macroscopic flow behavior.","PeriodicalId":48737,"journal":{"name":"Journal of Applied Crystallography","volume":"58 5","pages":"1542-1552"},"PeriodicalIF":2.8,"publicationDate":"2025-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145237125","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-13

引用次数: 0

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-13

引用次数: 0

IF 2.8 3区材料科学

Journal of Applied Crystallography Pub Date : 2025-08-13

引用次数: 0