Journal of Applied Crystallography最新文献_第2页

Improving the reliability of small- and wide-angle X-ray scattering measurements of anisotropic precipitates in metallic alloys using sample rotation.

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-11-04 eCollection Date: 2024-12-01 DOI: 10.1107/S1600576724009294

Thomas Perrin, Gilbert A Chahine, Stéphan Arnaud, Arthur Després, Pierre Heugue, Alexis Deschamps, Frédéric De Geuser

{"title":"Improving the reliability of small- and wide-angle X-ray scattering measurements of anisotropic precipitates in metallic alloys using sample rotation.","authors":"Thomas Perrin, Gilbert A Chahine, Stéphan Arnaud, Arthur Després, Pierre Heugue, Alexis Deschamps, Frédéric De Geuser","doi":"10.1107/S1600576724009294","DOIUrl":"10.1107/S1600576724009294","url":null,"abstract":"Nanometric precipitates in metallic alloys often have highly anisotropic shapes. Given the large grain size and non-random texture typical of these alloys, performing small- and wide-angle X-ray scattering (SAXS/WAXS) measurements on such samples for determining their characteristics (typically size and volume fraction) results in highly anisotropic and irreproducible data. Rotations of flat samples during SAXS/WAXS acquisitions are presented here as a solution to these anisotropy issues. Two aluminium alloys containing anisotropic precipitates are used as examples to validate the approach with a -45°/45° angular range. Clear improvements can be seen on the SAXS I(q) fitting and the consistency between the different SAXS/WAXS measurements. This method-ology results in more reliable measurements of the precipitate's characteristics, and thus allows for time- and space-resolved measurements with higher accuracy.","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":"57 Pt 6","pages":"1800-1814"},"PeriodicalIF":6.1,"publicationDate":"2024-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11611286/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142769053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Mapping domain structures near a grain boundary in a lead zirconate titanate ferroelectric film using X-ray nanodiffraction.

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-29 eCollection Date: 2024-12-01 DOI: 10.1107/S1600576724009026

Stanislav Udovenko, Yeongwoo Son, Pannawit Tipsawat, Reilly J Knox, Stephan O Hruszkewycz, Hanfei Yan, Xiaojing Huang, Ajith Pattammattel, Marc Zajac, Wonsuk Cha, Darren C Pagan, Susan Trolier-McKinstry

{"title":"Mapping domain structures near a grain boundary in a lead zirconate titanate ferroelectric film using X-ray nanodiffraction.","authors":"Stanislav Udovenko, Yeongwoo Son, Pannawit Tipsawat, Reilly J Knox, Stephan O Hruszkewycz, Hanfei Yan, Xiaojing Huang, Ajith Pattammattel, Marc Zajac, Wonsuk Cha, Darren C Pagan, Susan Trolier-McKinstry","doi":"10.1107/S1600576724009026","DOIUrl":"10.1107/S1600576724009026","url":null,"abstract":"The effect of an electric field on local domain structure near a 24° tilt grain boundary in a 200 nm-thick Pb(Zr0.2Ti0.8)O3 bi-crystal ferroelectric film was probed using synchrotron nanodiffraction. The bi-crystal film was grown epitaxially on SrRuO3-coated (001) SrTiO3 24° tilt bi-crystal substrates. From the nanodiffraction data, real-space maps of the ferroelectric domain structure around the grain boundary prior to and during application of a 200 kV cm-1 electric field were reconstructed. In the vicinity of the tilt grain boundary, the distributions of densities of c-type tetragonal domains with the c axis aligned with the film normal were calculated on the basis of diffracted intensity ratios of c- and a-type domains and reference powder diffraction data. Diffracted intensity was averaged along the grain boundary, and it was shown that the density of c-type tetragonal domains dropped to ∼50% of that of the bulk of the film over a range ±150 nm from the grain boundary. This work complements previous results acquired by band excitation piezoresponse force microscopy, suggesting that reduced nonlinear piezoelectric response around grain boundaries may be related to the change in domain structure, as well as to the possibility of increased pinning of domain wall motion. The implications of the results and analysis in terms of understanding the role of grain boundaries in affecting the nonlinear piezoelectric and dielectric responses of ferroelectric materials are discussed.","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":"57 Pt 6","pages":"1789-1799"},"PeriodicalIF":6.1,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11611287/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142769058","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integrating machine learning interatomic potentials with hybrid reverse Monte Carlo structure refinements in RMCProfile.

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-29 eCollection Date: 2024-12-01 DOI: 10.1107/S1600576724009282

Paul Cuillier, Matthew G Tucker, Yuanpeng Zhang

引用次数: 0

A micro-beamstop with transmission detection by fluorescence for scanning-beam synchrotron scattering beamlines.

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-29 eCollection Date: 2024-12-01 DOI: 10.1107/S1600576724009129

Henrik Birkedal, Michael Sztucki, Moritz Stammer, Anastasiia Sadetskaia, Manfred C Burghammer, Tilman A Grünewald

{"title":"A micro-beamstop with transmission detection by fluorescence for scanning-beam synchrotron scattering beamlines.","authors":"Henrik Birkedal, Michael Sztucki, Moritz Stammer, Anastasiia Sadetskaia, Manfred C Burghammer, Tilman A Grünewald","doi":"10.1107/S1600576724009129","DOIUrl":"10.1107/S1600576724009129","url":null,"abstract":"Quantitative X-ray diffraction approaches require careful correction for sample transmission. Though this is a routine task at state-of-the-art small-angle X-ray scattering (SAXS), wide-angle X-ray scattering (WAXS) or diffraction beamlines at synchrotron facilities, the transmission signal cannot be recorded concurrently with SAXS/WAXS when using the small, sub-millimetre beamstops at many X-ray nanoprobes during SAXS/WAXS experiments due to the divergence-limited size of the beamstop and the generally tight geometry. This is detrimental to the data quality and often the only solution is to re-scan the sample with a PIN photodiode as a detector to obtain transmission values. In this manuscript, we present a simple yet effective solution to this problem in the form of a small beamstop with an inlaid metal target for optimal fluorescence yield. This fluorescence can be detected with a high-sensitivity avalanche photodiode and provides a linear counter to determine the sample transmission.","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":"57 Pt 6","pages":"2043-2047"},"PeriodicalIF":6.1,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11611290/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142768984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Animations, videos and 3D models for teaching space-group symmetry.

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-16 eCollection Date: 2024-12-01 DOI: 10.1107/S1600576724008872

Lauro Bucio, Rosario Moreno-Tovar, Edilberto Hernández-Juárez, Andrea S Sandoval-Santiago, Nerith R Elejalde-Cadena, Andrés Bucio, Moises Falcón-Moreno, Ivonne Rosales-Chávez

引用次数: 0

Sheet-on-sheet fixed target data collection devices for serial crystallography at synchrotron and XFEL sources.

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-16 eCollection Date: 2024-12-01 DOI: 10.1107/S1600576724008914

R Bruce Doak, Robert L Shoeman, Alexander Gorel, Stanisław Niziński, Thomas R M Barends, Ilme Schlichting

{"title":"Sheet-on-sheet fixed target data collection devices for serial crystallography at synchrotron and XFEL sources.","authors":"R Bruce Doak, Robert L Shoeman, Alexander Gorel, Stanisław Niziński, Thomas R M Barends, Ilme Schlichting","doi":"10.1107/S1600576724008914","DOIUrl":"10.1107/S1600576724008914","url":null,"abstract":"Serial crystallography (SX) efficiently distributes over many crystals the radiation dose absorbed during diffraction data acquisition, enabling structure determination of samples at ambient temperature. SX relies on the rapid and reliable replacement of X-ray-exposed crystals with fresh crystals at a rate commensurate with the data acquisition rate. 'Solid supports', also known as 'fixed targets' or 'chips', offer one approach. These are microscopically thin solid panes into or onto which crystals are deposited to be individually interrogated by an X-ray beam. Solid supports are generally patterned using photolithography methods to produce a regular array of features that trap single crystals. A simpler and less expensive alternative is to merely sandwich the microcrystals between two unpatterned X-ray-transparent polymer sheets. Known as sheet-on-sheet (SOS) chips, these offer significantly more versatility. SOS chips place no constraint on the size or size distribution of the microcrystals or their growth conditions. Crystals ranging from true nanocrystals up to microcrystals can be investigated, as can crystals grown in media ranging from low viscosity (aqueous solution) up to high viscosity (such as lipidic cubic phase). Here, we describe our two SOS devices. The first is a compact and lightweight version designed specifically for synchrotron use. It incorporates a standard SPINE-type magnetic base for mounting on a conventional macromolecular crystallography goniometer. The second and larger chip is intended for both X-ray free-electron laser and synchrotron use and is fully compatible with the fast-scanning XY-raster stages developed for data collection with patterned chips.","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":"57 Pt 6","pages":"1725-1732"},"PeriodicalIF":6.1,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11611291/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142769067","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Electronic angle focusing for neutron time-of-flight powder diffractometers. 用于中子飞行时间粉末衍射仪的电子角聚焦。

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-01 DOI: 10.1107/S1600576724008756

Robert B Von Dreele

引用次数: 0

Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction. 利用扫描 X 射线微衍射技术确定固定人体脑组织中亚微米级空隙的特征。

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-01 DOI: 10.1107/S1600576724008987

Prakash Nepal, Abdullah A Bashit, Lee Makowski

{"title":"Characterization of sub-micrometre-sized voids in fixed human brain tissue using scanning X-ray microdiffraction.","authors":"Prakash Nepal, Abdullah A Bashit, Lee Makowski","doi":"10.1107/S1600576724008987","DOIUrl":"10.1107/S1600576724008987","url":null,"abstract":"Using a 5 µm-diameter X-ray beam, we collected scanning X-ray microdiffraction in both the small-angle (SAXS) and the wide-angle (WAXS) regimes from thin sections of fixed human brain tissue from Alzheimer's subjects. The intensity of scattering in the SAXS regime of these patterns exhibits essentially no correlation with the observed intensity in the WAXS regime, indicating that the structures responsible for these two portions of the diffraction patterns, which reflect different length scales, are distinct. SAXS scattering exhibits a power-law behavior in which the log of intensity decreases linearly with the log of the scattering angle. The slope of the log-log curve is roughly proportional to the intensity in the SAXS regime and, surprisingly, inversely proportional to the intensity in the WAXS regime. We interpret these observations as being due to the presence of sub-micrometre-sized voids formed during dehydration of the fixed tissue. The SAXS intensity is due largely to scattering from these voids, while the WAXS intensity derives from the secondary structures of macromolecular material surrounding the voids. The ability to detect and map the presence of voids within thin sections of fixed tissue has the potential to provide novel information on the degradation of human brain tissue in neurodegenerative diseases.","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":"57 Pt 5","pages":"1528-1538"},"PeriodicalIF":6.1,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11460389/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142390692","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Link between b.c.c.-f.c.c. orientation relationship and austenite morphology in CF8M stainless steel. CF8M 不锈钢中 b.c.c.-f.c.c.取向关系与奥氏体形态之间的联系。

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-01 DOI: 10.1107/S1600576724008392

Maxime Mollens, Adrien Guery, Dominique Loisnard, François Hild, Stéphane Roux

{"title":"Link between b.c.c.-f.c.c. orientation relationship and austenite morphology in CF8M stainless steel.","authors":"Maxime Mollens, Adrien Guery, Dominique Loisnard, François Hild, Stéphane Roux","doi":"10.1107/S1600576724008392","DOIUrl":"10.1107/S1600576724008392","url":null,"abstract":"Slow-cooled CF8M duplex stainless steel is used for critical parts of the primary coolant pipes of nuclear reactors. This steel can endure severe service conditions, but it tends to become more brittle upon very long-term aging (tens of years). Therefore, it is essential to understand its specific microstructure and temporal evolution. As revealed by electron backscatter diffraction (EBSD) analyses, the microstructure consists of millimetre-scale ferritic grains within which austenite lath packets have grown with preferred crystallographic orientations concerning the parent ferritic phase far from the ferrite grain boundaries. In these lath packets where the austenite phase is nucleated, the lath morphology and crystal orientation accommodate the two ferrite orientations. Globally, the Pitsch orientation relationship appears to display the best agreement with the experimental data compared with other classical relationships. The austenite lath packets are parallel plate-shaped laths, characterized by their normal n. A novel methodology is introduced to elucidate the expected relationship between n and the crystallographic orientation given the coarse interfaces, even though n is only partly known from the observation surface, in contrast to the 3D crystal orientations measured by EBSD. The distribution of retrieved normals n is shown to be concentrated over a set of discrete orientations. Assuming that the ferrite and austenite obey the Pitsch orientation relationship, the determined lath normals are close to an invariant direction of the parent phase given by the same orientation relationship.","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":"57 Pt 5","pages":"1598-1608"},"PeriodicalIF":6.1,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11460382/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142390702","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures. SUBGROUPS：毕尔巴鄂晶体学服务器的计算机工具，用于研究假对称或扭曲结构。

IF 6.1 3区材料科学

Journal of Applied Crystallography Pub Date : 2024-10-01 DOI: 10.1107/S1600576724008070

Emre S Tasci, Luis Elcoro, J Manuel Perez-Mato, Gemma de la Flor, Mois I Aroyo

{"title":"SUBGROUPS: a computer tool at the Bilbao Crystallographic Server for the study of pseudo-symmetric or distorted structures.","authors":"Emre S Tasci, Luis Elcoro, J Manuel Perez-Mato, Gemma de la Flor, Mois I Aroyo","doi":"10.1107/S1600576724008070","DOIUrl":"10.1107/S1600576724008070","url":null,"abstract":"SUBGROUPS is a free online program at the Bilbao Crystallographic Server (https://www.cryst.ehu.es/). It permits the exploration of all possible symmetries resulting from the distortion of a higher-symmetry parent structure, provided that the relation between the lattices of the distorted and parent structures is known. The program calculates all the subgroups of the parent space group which comply with this relation. The required minimal input is the space-group information of the parent structure and the relation of the unit cell of the distorted or pseudo-symmetric structure with that of the parent structure. Alternatively, the wavevector(s) observed in the diffraction data characterizing the distortion can be introduced. Additional conditions can be added, including filters related to space-group representations. The program provides very detailed information on all the subgroups, including group-subgroup hierarchy graphs. If a Crystallographic Information Framework (CIF) file of the parent high-symmetry structure is uploaded, the program generates CIF files of the parent structure described under each of the chosen lower symmetries. These CIF files may then be used as starting points for the refinement of the distorted structure under these possible symmetries. They can also be used for density functional theory calculations or for any other type of analysis. The power and efficiency of the program are illustrated with a few examples.","PeriodicalId":14950,"journal":{"name":"Journal of Applied Crystallography","volume":"57 Pt 5","pages":"1650-1666"},"PeriodicalIF":6.1,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11460388/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142390691","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0