Center for X-Rays in Swedish Materials Science’s Post

𝗜𝗻𝘁𝗿𝗼𝗱𝘂𝗰𝗶𝗻𝗴 𝘁𝗵𝗲 𝟮𝟬𝟮𝟰/𝗤𝟮 𝗔𝗹𝗹𝗼𝘁𝗿𝗼𝗽𝗲 𝗥𝗲𝗹𝗲𝗮𝘀𝗲: 𝗡𝗲𝘄 𝗦𝗼𝗹𝘂𝘁𝗶𝗼𝗻 𝗡𝗠𝗥 𝗮𝗻𝗱 𝗘𝗹𝗲𝗰𝘁𝗿𝗼𝗽𝗵𝗼𝗿𝗲𝘀𝗶𝘀 𝗠𝗼𝗱𝗲𝗹𝘀 𝗣𝗹𝘂𝘀 𝗠𝗼𝗿𝗲! The Allotrope Simple Model (ASM) is designed to be modular by employing standard building blocks to create consistent structures across models. This approach enables a scalable data standardization strategy for data from different techniques, facilitating seamless use in analytics, modeling, and prediction in your ecosystem. The 2024/Q2 Allotrope release includes several new and updated models that utilize this modular design to ensure interoperability: • New 𝗦𝗼𝗹𝘂𝘁𝗶𝗼𝗻 𝗡𝘂𝗰𝗹𝗲𝗮𝗿 𝗠𝗮𝗴𝗻𝗲𝘁𝗶𝗰 𝗥𝗲𝘀𝗼𝗻𝗮𝗻𝗰𝗲 (𝗡𝗠𝗥) model, used to determine molecular structures and interactions in solution by measuring atomic nuclei's magnetic properties. • New 𝗘𝗹𝗲𝗰𝘁𝗿𝗼𝗽𝗵𝗼𝗿𝗲𝘀𝗶𝘀 model, designed to capture the results of experiments involving electrokinetic separation methods. • New 𝗖𝗵𝗿𝗼𝗺𝗮𝘁𝗼𝗴𝗿𝗮𝗽𝗵𝘆 𝗖𝗼𝗹𝘂𝗺𝗻 model, a generic model for representing chromatography column properties. • New 𝗣𝗹𝗮𝘁𝗲 𝗥𝗲𝗮𝗱𝗲𝗿 𝗞𝗶𝗻𝗲𝘁𝗶𝗰𝘀 model, supporting the measurement of kinetic data over time in a plate reader. • Modularization updates to existing models such as pH, Balance, Osmolality, and Automated Reactors. The current list of available ASMs is available at https://lnkd.in/gR7N4KqJ so you can see what’s available, what's in development, and what’s on the horizon. Detailed news and release information is available at https://lnkd.in/g4CiKGZy Let's continue driving innovation in data standardization together! Allotrope Foundation #DataStandardization #LabDataStandardization #AnalyticalDataStandards #InstrumentDataManagement #LabInformatics #FAIR #AnalyticalChemistry #AnalyticalLaboratory #Innovation #DataScience #NMR #NuclearMagneticResonance #Chromatography #PlateReader

📣 SAVE THE DATE! PSinNFDI presents: "FAIR Data Principles in Phyiscal Sciences in NFDI" 🔜 April 26, 2024 1 - 3 pm. Next workshop on use cases in the NFDI, presented by #Physical Sciences in NFDI: While different disciplines experience different challenges in establishing the FAIR principles for #researchdata, there are also many similar approaches and solutions. In this workshop, we will present examples of use cases highlighting those common concepts, tools, and software that exploit workflows to achieve #FAIRdata across scientific disciplines. FAIR data does not start in a repository, but needs to be established already during the data generation within a research process. Hence, we invite you to join us in exploring tools and approaches to create #FAIRworkflows with fascinating use cases from: - PUNCH4NDFI: Curating Data Flows: Leveraging REANA for Reproducible Analyses of Dimensionality Reduction Workflows - NFDI-MatWerk: Creating and running automated workflows for material science simulations - DAPHNE4NFDI: Overarching Data Management Ecosystem HELIPORT Find out more ➡ https://lnkd.in/exUSARX3 ⬅

Glad to share that our work titled Fluctuating Line-of-Sight Fading Distribution: Statistical Characterization and Applications" has been accepted for presentation at the Flagship conference of the IEEE Communications Society, Global Communications Conference (IEEE GLOBECOM 2024). This acceptance is particularly noteworthy, as the notice highlighted it as a significant achievement, considering less than 40% of submissions were accepted at IEEE GLOBECOM 2024. I would like to express my sincere gratitude to Prof. Georges Kaddoum for his invaluable contributions and guidance throughout this research endeavor. We introduce the fluctuating Line-of-Sight (fLoS) fading model expressed in terms of the multivariate confluent hypergeometric functions and encompasses well-known distributions, such as the Nakagami, Hoyt, Rice, and Rician shadowed fading distributions as special cases. An efficient method to numerically compute the fLoS fading distribution is also addressed. Notably, for a positive integer $k$, the fLoS fading distribution simplifies to a finite mixture of $\kappa$-$\mu$ distributions. Additionally, we analyze the outage probability and Ergodic capacity, presenting a tailored Prony's approximation method for the latter. Numerical results are presented to show the impact of the fading parameters and verify the accuracy of the proposed approximation. Moreover, we illustrate an application of the proposed fLoS fading distribution for characterizing wireless systems affected by channel aging. The current version is available at arXiv: arxiv.org/abs/2408.00575 #ieee #globecom

Do you want to be part of the CHARISMA Raman School 2024? 🚀 This edition focuses on the relevance, impact, needs, state-of-the-art of harmonisation in different techniques and fields of application. Topics that will be covered include: • Data processing and analysis • Raman harmonisation and standards • In vivo, in situ and operando Raman characterisation • Applications of Raman spectroscopy and market opportunities • Raman data repositories and FAIR data 📢 Register now: https://lnkd.in/d9xdvke7 #ramanspectroscopy #ramantechniques

📃Scientific paper: J-PLUS: Photometric Re-calibration with the Stellar Color Regression Method and an Improved Gaia XP Synthetic Photometry Method Abstract: We employ the corrected Gaia Early Data Release 3 (EDR3) photometric data and spectroscopic data from the Large Sky Area Multi-Object Fiber Spectroscopic Telescope (LAMOST) DR7 to assemble a sample of approximately 0.25 million FGK dwarf photometric standard stars for the 12 J-PLUS filters using the Stellar Color Regression (SCR) method. We then independently validated the J-PLUS DR3 photometry, and uncovered significant systematic errors: up to 15 mmag in the results of Stellar Locus (SL) method, and up to 10 mmag mainly caused by magnitude-, color-, and extinction-dependent errors of the Gaia XP spectra with the Gaia BP/RP (XP) Synthetic Photometry (XPSP) method. We have also further developed the XPSP method using the corrected Gaia XP spectra by Huang et al. (2023) and applied it to the J-PLUS DR3 photometry. This resulted in an agreement of 1-5 mmag with the SCR method, and a two-fold improvement in the J-PLUS zero-point precision. Finally, the zero-point calibration for around 91% of the tiles within the LAMOST observation footprint is determined through the SCR method, with the remaining approximately 9% of tiles outside this footprint relying on the improved XPSP method. The re-calibrated J-PLUS DR3 photometric data establishes a solid data foundation for conducting research that depends on high-precision photometric calibration. ;Comment: ApJS accepted; 21 papes; 20 figures, see main results in Figures 5 and 12 Continued on ES/IODE ➡️ https://etcse.fr/y0gr5 ------- If you find this interesting, feel free to follow, comment and share. We need your help to enhance our visibility, so that our platform continues to serve you.

📃Scientific paper: UOCS-XI. Study of blue straggler stars in open cluster NGC 7142 using UVIT/AstroSat Abstract: We present a study of blue straggler stars \(BSSs\) of open cluster NGC 7142 using AstroSat/UVIT data and other archival data. Using a machine learning-based algorithm, ML-MOC, on Gaia DR3 data, we find 546 sources as cluster members. Based on the location on the Gaia color-magnitude diagram, we identify ten BSS candidates, also detected in UVIT/F148W filter. We study the variable nature of BSSs by constructing their light curves using the TESS data. Two BSSs reported as eclipsing binaries in Gaia DR3 are confirmed to be eclipsing binaries based on our analysis and also show the presence of hot companions as per the multi-wavelength spectral energy distributions \(SEDs\). The physical parameters of the hot companions of these two BSSs derived by fitting binary models to their light curves and those derived from the SEDs are found to be in good agreement. Additionally, five more BSSs in the cluster shows UV excess, four of which are likely to have a hot companion based on SEDs. The hot companions with the estimated temperatures $\sim$14000 $-$ 28000 K, radii $\sim$0.01 $-$ 0.05 R$\_\{\odot\}$, and luminosities $\sim$0.03 $-$ 0.1 L$\_\{\odot\}$, are inferred to be extremely low mass \($\<$ 0.2 M$\_\{\odot\}$\), low-mass \(0.2 $-$ 0.4 M$\_\{\odot\}$\), normal-mass \(0.4 $-$ 0.6 M$\_\{\odot\}$\), and high-mass \($\>$ 0.6 M$\_\{\odot\}$\) white dwarfs \(WD\). For the first time in an open cluster, we find the entire range of masses in WDs found as hot companions of BSSs. These masses imply that the Case... Continued on ES/IODE ➡️ https://etcse.fr/xmO1X ------- If you find this interesting, feel free to follow, comment and share. We need your help to enhance our visibility, so that our platform continues to serve you.

Thrilled to announce our latest publication in Powder Technology: "𝐀 𝐧𝐨𝐯𝐞𝐥 𝐦𝐞𝐭𝐡𝐨𝐝𝐨𝐥𝐨𝐠𝐲 𝐟𝐨𝐫 𝐝𝐚𝐭𝐚 𝐚𝐧𝐚𝐥𝐲𝐬𝐢𝐬 𝐨𝐟 𝐝𝐲𝐧𝐚𝐦𝐢𝐜 𝐚𝐧𝐠𝐥𝐞 𝐨𝐟 𝐫𝐞𝐩𝐨𝐬𝐞 𝐭𝐞𝐬𝐭𝐬 𝐚𝐧𝐝 𝐩𝐨𝐰𝐝𝐞𝐫 𝐟𝐥𝐨𝐰 𝐜𝐥𝐚𝐬𝐬𝐢𝐟𝐢𝐜𝐚𝐭𝐢𝐨𝐧" by Luca Orefice, Johan Remmelgas, Aurélien Neveu, Filip Francqui, Johannes Khinast. Our latest publication introduces a groundbreaking methodology for analyzing #powderflow data from dynamic #AngleOfRepose tests. We redefine flow descriptors, enabling a nuanced measurement of flow #rheology, even in challenging scenarios. Traditional methods fall short, making our approach a game-changer! More information and link to full paper ⬇️ https://lnkd.in/dEk4Hu8T

📃Scientific paper: The SRG/eROSITA All-Sky Survey: View of the Virgo Cluster Abstract: As the closest galaxy cluster, the Virgo Cluster is an exemplary environment for the study of large-scale filamentary structure and physical effects that are present in cluster outskirts but absent from the more easily studied inner regions. Here, we present an exploration of the SRG/eROSITA data from five all-sky surveys. eROSITA allows us to resolve the entire Virgo cluster and its outskirts on scales between 1 kpc and 3 Mpc, covering a total area on the sky of about 25 by 25 degrees. We utilize image manipulation techniques and surface brightness profiles to search for extended emission, surface brightness edges, and features in the outskirts. We employ a method of comparing mean and median profiles to measure gas clumping beyond the virial radius. Surface brightness analysis of the cluster and individual sectors of the cluster reveal the full extent of previously identified cold fronts to the north and south. The emissivity bias due to gas clumping, which we quantify over three orders of magnitude in radial range, is found to be mild, consistent with previous findings. We find an estimated virial gas mass of $M\_\{\mathrm\{gas\},r\<r\_\{200\}\} = \(1.98 \pm 0.70\) \times 10^\{13\}$ M$\_\odot$. Through imaging analysis we detect the presence of extended emission spanning 320 kpc to the southwest of M49. The extension has a significance of 3.15sigma and is coincident with radio emission detected with LOFAR, which could be evidence of an accretion shock or turbulent re-accelera... Continued on ES/IODE ➡️ https://etcse.fr/S2 ------- If you find this interesting, feel free to follow, comment and share. We need your help to enhance our visibility, so that our platform continues to serve you.

Milestone Achieved!! 🌟 We are excited to announce the completion of two critical deliverables under Work Package 10 of the Quantum Computational Fluid Dynamics (QCFD) project. 📊 Deliverable 10.1 - Data Management Plan 🌐 Deliverable 10.2 - Dissemination, Exploitation, and Communication Plan These documents lay the foundational strategies for data handling and communication, ensuring our research is effectively managed and shared. 🔗 Visit our webpage to download the documents: https://lnkd.in/e6VSs7W9 #Data #DataManagement #Research #QCFD  #QuantumComputing #FluidDynamics #Innovation #H2020 #QuantumTechnology #Quantum #QuantumComputationalFluidDynamics

AlvaDesc has been used in Chang, J., Zou, J., Lou, C., Ye, J., Feng, R., Li, Z., & Hu, G. (2023). Gas‐to‐ionic liquid partition: QSPR modeling and mechanistic interpretation. Molecular Informatics, September 2022, 1–16. https://lnkd.in/dBh9pNKb Abstract: The present work was devoted to explore the quantitative structure-property relationships for gas-to-ionic liquid partition coefficients (log KILA). A series of linear models were first established for the representative dataset (IL01). The optimal model was a four-parameter equation (1Ed) consisting of two electrostatic potential-based descriptors ((Formula presented.) and Vs,max), one 2D matrix-based descriptor (J_D/Dt) and dipole moment (μ). All of the four descriptors introduced in the model can find the corresponding parameters, directly or indirectly, from Abraham's linear solvation energy relationship (LSER) or its theoretical alternatives, which endows the model good interpretability. Gaussian process was utilized to build the nonlinear model. Systematical validations, including 5-fold cross-validation for the training set, the validation for test set, as well as a more rigorous Monte Carlo cross-validation were performed to verify the reliability of the constructed models. Applicability domain of the model was evaluated, and the Williams plot revealed that the model can be used to predict the log KILA values of structurally diverse solutes. The other 13 datasets were also processed in the same way, and all of the linear models with expressions similar to equation 1Ed were obtained. These models, whether linear of nonlinear, represent satisfactory statistical results, which confirms the universality of the method adopted in this study in QSPR modeling of gas-to-IL partition. You can find more information on alvaDesc at: https://lnkd.in/gyaHaaM #moleculardescriptors #cheminformatics #qsar #researchpaper #machinelearning #compchem