The direction of particle accelerator development is ever-increasing beam quality, currents and repetition rates. This poses a challenge to traditional diagnostics that directly intercept the beam due to the mutual destruction of both the beam and the diagnostic. An alternative approach is to infer beam parameters non-invasively from the synchrotron radiation emitted in bending magnets. However, inferring the beam distribution from a measured radiation pattern is a complex and computationally expensive task. To address this challenge we present SYRIPY (SYnchrotron Radiation In PYthon), a software package intended as a tool for performing inference of synchrotron-radiation-based diagnostics. SYRIPY has been developed using PyTorch, which makes it both differentiable and able to leverage the high performance of GPUs, two vital characteristics for performing statistical inference. The package consists of three modules: a particle tracker, Lienard-Wiechert solver and Fourier optics propagator, allowing start-to-end simulation of synchrotron radiation detection to be carried out. SYRIPY has been benchmarked against SRW, the prevalent numerical package in the field, showing good agreement and up to a 50× speed improvement. Finally, we have demonstrated how SYRIPY can be used to perform Bayesian inference of beam parameters using stochastic variational inference.
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http://dx.doi.org/10.1107/S1600577524000663 | DOI Listing |
J Phys Chem A
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School of Mechanical Engineering, Shanghai Jiao Tong University, Shanghai 200240, P. R. China.
Microkinetic modeling of heterogeneous catalysis serves as an efficient tool bridging atom-scale first-principles calculations and macroscale industrial reactor simulations. Fundamental understanding of the microkinetic mechanism relies on a combination of experimental and theoretical studies. This Perspective presents an overview of the latest progress of experimental and microkinetic modeling approaches applied to gas-solid catalytic kinetics.
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December 2024
European Synchrotron Radiation Facility (ESRF), 71 Avenue des Martyrs, Grenoble, CS 40220, 38043, France.
Studying the properties and phase diagram of iron at high-pressure and high-temperature conditions has relevant implications for Earth's inner structure and dynamics and the temperature of the inner core boundary (ICB) at 330 GPa. Also, a hexagonal-closed packed to body-centered cubic (bcc) phase transition has been predicted by many theoretical works but observed only in a few experiments. The recent coupling of high-power laser with advanced x-ray sources from synchrotrons allows for novel approaches to address these issues.
View Article and Find Full Text PDFNano Lett
January 2025
National Innovation Center for Industry-Education Integration of Energy Storage Technology, College of Materials Science and Engineering, Chongqing University, Chongqing 400044, China.
Rechargeable magnesium ion batteries (RMBs) have drawn extensive attention due to their high theoretical volumetric capacity and low safety hazards. However, divalent Mg ions suffer sluggish mobility in cathodes owing to the high charge density and slow insertion/extraction kinetics. Herein, it is shown that an ultrafast nonequilibrium high-temperature shock (HTS) method with a high heating/quenching rate can instantly introduce oxygen vacancies into the olivine-structured MgFeSiO cathode (MgFeSiO-HTS) in seconds.
View Article and Find Full Text PDFCalcif Tissue Int
January 2025
Department of Periodontology, Division of Oral Biology and Disease Control, Osaka University Graduate School of Dentistry, Osaka, Japan.
Human dentin performs its function throughout life, even though it is not remodeled like bone. Therefore, dentin must have extreme durability against daily repetitive loading. Elucidating its durability requires a comprehensive understanding of its shape, structure, and anisotropy at various levels of its structure.
View Article and Find Full Text PDFAlzheimers Dement
December 2024
Stanford University, Stanford, CA, USA.
Background: Recent studies suggest that iron and neuroinflammation are key components of Alzheimer's Disease (AD) pathology. Ferrous Fe can cause oxidative stress and cellular toxicity, but it is unknown to what extent Fe is elevated in AD, in particular with the hippocampus. To answer this question, we quantified iron oxidation state in frozen human brain hippocampi.
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