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At least 307 records · Page 17

Designing workflows for materials characterization

Experimental science is enabled by the combination of synthesis, imaging, and functional characterization organized into evolving discovery loop. Synthesis of new material is typically followed by a set of characterization steps aiming to provide feedback for optimization or discover fundamental mechanisms. However, the sequence of synthesis and characterization methods and their interpretation, or research workflow, has traditionally been driven by human intuition and is highly domain specific. Here, we explore concepts of scientific workflows that emerge at the interface between theory, characterization, and imaging. In this study, we discuss the criteria by which these workflows can be constructed for special cases of multiresolution structural imaging and functional characterization, as a part of more general material synthesis workflows. Some considerations for theory–experiment workflows are provided. We further pose that the emergence of user facilities and cloud labs disrupts the classical progression from ideation, orchestration, and execution stages of workflow development. To accelerate this transition, we propose the framework for workflow design, including universal hyperlanguages describing laboratory operation, ontological domain matching, reward functions and their integration between domains, and policy development for workflow optimization. These tools will enable knowledge-based workflow optimization; enable lateral instrumental networks, sequential and parallel orchestration of characterization between dissimilar facilities; and empower distributed research.

36 MATERIALS SCIENCE↗

A multi-scale cognitive interaction model of instrument operations at the Linac Coherent Light Source

The Linac Coherent Light Source (LCLS) is the world’s first x-ray free electron laser. It is a scientific user facility operated by the SLAC National Accelerator Laboratory, at Stanford, for the U.S. Department of Energy. As beam time at LCLS is extremely valuable and limited, experimental efficiency—getting the most high quality data in the least time—is critical. Our overall project employs cognitive engineering methodologies with the goal of improving experimental efficiency and increasing scientific productivity at LCLS by refining experimental interfaces and workflows, simplifying tasks, reducing errors, and improving operator safety and stress. Here, in this study, we describe a multi-agent, multi-scale computational cognitive interaction model of instrument operations at LCLS. Our model simulates the aspects of human cognition at multiple cognitive and temporal scales, ranging from seconds to hours, and among agents playing multiple roles, including instrument operator, real time data analyst, and experiment manager. The model can roughly predict impacts stemming from proposed changes to operational interfaces and workflows. Example results demonstrate the model’s potential in guiding modifications to improve operational efficiency. We discuss the implications of our effort for cognitive engineering in complex experimental settings and outline future directions for research. The model is open source, and the videos of the supplementary material provide extensive detail.

47 OTHER INSTRUMENTATION↗

On measuring stimulated photon–photon scattering using multiple ultraintense lasers

Stimulated photon–photon scattering is a predicted consequence of quantum electrodynamics that has yet to be measured directly. Measuring the cross section for stimulated photon–photon scattering is the aim of a flagship experiment for NSF OPAL, a proposed laser user facility with two, 25-PW beamlines. We present optimized experimental designs for achieving this challenging and canonical measurement. A family of experimental geometries is identified that satisfies the momentum- and energy-matching conditions for two selected laser frequency options. Numerical models predict a maximum signal exceeding 1000 scattered photons per shot at the experimental conditions envisaged at NSF OPAL. Experimental requirements on collision geometry, polarization, cotiming and copointing, background suppression, and diagnostic technologies are investigated numerically. These results confirm that a beam cotiming shorter than the pulse duration and control of the copointing on a scale smaller than the shortest laser wavelength are needed to robustly scatter photons on a per-shot basis. Finally, we assess the bounds that a successful execution of this experiment may place on the mass scale of Born–Infeld nonlinear electrodynamics beyond the standard model of physics.

Beyond the Standard Model↗

Multimodal, Multidimensional, and Multiscale X-ray Imaging at the National Synchrotron Light Source II

Over the last couple of decades, the synchrotron radiation research community has witnessed tremendous advancement in the field of x-ray imaging and microscopy. Continuing enhancement of the light sources’ brightness, advances in x-ray focusing optics, incorporation of precision instruments, and development of innovative imaging techniques are some of the leading contributors for the rapid progress. New imaging and microscopy beamlines, such as the ones at the National Synchrotron Light Source II (NSLS-II), a Department of Energy (DOE) Office of Science user facility located at DOE’s Brookhaven National Laboratory, are capable of performing more sophisticated and complicated measurements than ever before, either on their own or used together as a suite of tools. These sophisticated and complex measurements exhibit attributes for multimodal, multidimensional, and multiscale imaging. Recent popularity of these methods is strongly driven by the current trends in materials characterizations, where researchers desire to map out hierarchical materials structure over a large range of length scales, to understand structure-property correlation, to quantify materials structures in 3D, and/or to perform operando or in situ experiments. It is important to emphasize that “materials” under investigation are not only synthesized materials but also the natural materials. In this article, we describe multimodal, multidimensional and multiscale x-ray imaging capabilities of the NSLS-II beamlines and how these methods are used to tackle complex scientific problems.

47 OTHER INSTRUMENTATION↗

Characterizing Hidden Structures at NSLS-II: Strongly Correlated Electron Systems, Functional Ceramics, Batteries, and Beyond

Brookhaven National Laboratory (New York) launched its highenergy X-ray science program at the inception of the National Synchrotron Light Source (NSLS), a U.S. Department of Energy (DOE) Office of Science User Facility. Built in the 1980s, the NSLS X17 beamline was the world’s first super-conducting wiggler facility and remained in service for more than 30 years. The NSLS facility was decommissioned in October 2014 and a third-generation synchrotron machine, DOE’s National Synchrotron Light Source II (NSLS-II), took over. Six years after completing construction, NSLS-II has a portfolio of 29 beamlines that includes two operating high-energy powder diffraction beamlines (XPD and PDF) and one high-energy imaging and diffraction beamline under construction (HEX).

36 MATERIALS SCIENCE↗

Superconducting low-beta Nb 3 Sn cavity for ATLAS and future ion accelerators

We report on a Nb 3 Sn-coated low-beta superconducting radio frequency (RF) cavity intended for accelerating ions. We aim to apply the cavity in ATLAS, our Argonne National Laboratory user facility for nuclear physics studies with ion beams in the energy range of 5–20 MeV u −1 . The Nb 3 Sn-coated cavity, a 145 MHz quarter-wave optimized for ions moving with velocity β = $v/c$ = 0.08 exhibits an order-of-magnitude reduction in RF losses into helium at 4.4 K compared to a superconducting niobium (Nb) cavity at the same frequency and temperature. Experimentally measured fields are among the highest to date for any Nb 3 Sn-coated cavity, reaching a peak surface magnetic field of 105 mT. We also present a practical solution to the problem of cavity frequency tuning. Tuning by mechanical deformation has been a challenge with Nb 3 Sn due to its brittle nature, however, using a set of techniques tailored to the properties of thin-film Nb 3 Sn on Nb, we can repeatably tune the cavity to the ATLAS master clock frequency after it is cooled, while maintaining the excellent performance characteristics. The same Nb 3 Sn cavity technology offers broad benefits for future ion accelerators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Target development using the method of High-Intensity Vibrational Powder Plating (HIVIPP) at the Center for Accelerator Target Science (CATS) at Argonne National Laboratory (ANL)

One of the primary goals of the Center for Accelerator Target Science (CATS) is to provide targets and foils in support of the ATLAS User Facility and the Low-Energy community at large. While a wide array of target production techniques are available at CATS, new methods that must be explored invariably arise. One such technique, the High-Intensity Vibrational Powder Plating (HIVIPP), was first reported in 1997 by Isao Sugai. It was developed to produce targets and stripper foils that were difficult to make by standard methods. At Argonne National Laboratory (ANL), we have successfully constructed and tested a simple system for this purpose. We have produced targets of carbon and titanium on various metal backings using the HIVIPP method. We are currently in the exciting phase of exploring the production of other elements, including isotopically enriched and radioactive material. This work is in progress and will be further detailed with specific examples.

47 OTHER INSTRUMENTATION↗

Wakefield generation in hydrogen and lithium plasmas at FACET-II: Diagnostics and first beam-plasma interaction results

Plasma wakefield acceleration provides ultrahigh acceleration gradients of tens of GeV/m, providing a novel path toward efficient, compact, TeV-scale linear colliders, and high brightness free electron lasers. Critical to the success of these applications is demonstrating simultaneously high gradient acceleration, high energy transfer efficiency, and preservation of emittance, charge, and energy spread. Experiments at the FACET-II National User Facility at SLAC National Accelerator Laboratory aim to achieve all of these milestones in a single-stage plasma wakefield accelerator, providing a 10 GeV energy gain in a < 1 m plasma with high energy transfer efficiency. Such a demonstration depends critically on diagnostics able to measure emittance with mm mrad accuracy, energy spectra to determine both percent level energy spread, and broadband energy gain and loss, incoming longitudinal phase space, and matching dynamics. This paper discusses the experimental setup at FACET-II, including the incoming beam parameters from the FACET-II linac, plasma sources, and diagnostics developed to meet this challenge. Initial progress on the generation of beam ionized wakes in meter-scale hydrogen gas is discussed as well as commissioning of the plasma sources and diagnostics. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

Validity of Machine Learning in the Quantitative Analysis of Complex Scanning Near-Field Optical Microscopy Signals Using Simulated Data

Scattering-type scanning near-field optical microscope (s-SNOM) is a modern technique for subdiffractional optical imaging and spectroscopy. Over the past two decades, tremendous efforts have been devoted to modeling complex tip-sample interactions in s-SNOM, aimed at understanding the electrodynamics of materials at the nanoscale. However, due to complexities in analytical methods and the limited computation power for fully numerical simulations, compromises must be made to facilitate the modeling of tip-sample interaction, such as using quasistatic approximation or unrealistic tip geometries. Here, we apply a variety of widely utilized machine-learning methods, including k nearest neighbor and feedforward neural network etc. to study the phase-resolved spectroscopic near-field response. With only a small set of training data, which is simulated using the finite-dipole model, we demonstrate that the relation between the experimental near-field signal and sample optical constant can be one to one mapped without the need for tip modeling: for a given material with a moderate dielectric function, its complex near-field spectrum can be accurately determined within the mid-IR spectral range, and vice versa. Our preliminary study sets the stage for future exploration using real experimental data. Our method is beneficial for processing the increasing amount of data accumulated across many research groups and especially useful for user facilities such as synchrotron-based national laboratories where a large amount of data is generated on a daily basis.

36 MATERIALS SCIENCE↗

Correlative X-ray micro-nanotomography with scanning electron microscopy at the Advanced Light Source

Geological samples are inherently multi-scale. Understanding their bulk physical and chemical properties requires characterization down to the nano-scale. A powerful technique to study the three-dimensional microstructure is X-ray tomography, but it lacks information about the chemistry of samples. To develop a methodology for measuring the multi-scale 3D microstructure of geological samples, correlative X-ray micro- and nanotomography were performed on two rocks followed by scanning electron microscopy with energy-dispersive spectroscopy (SEM-EDS) analysis. The study was performed in five steps: (i) micro X-ray tomography was performed on rock sample cores, (ii) samples for nanotomography were prepared using laser milling, (iii) nanotomography was performed on the milled sub-samples, (iv) samples were mounted and polished for SEM analysis and (v) SEM imaging and compositional mapping was performed on micro and nanotomography samples for complimentary information. Correlative study performed on samples of serpentine and basalt revealed multiscale 3D structures involving both solid mineral phases and pore networks. Significant differences in the volume fraction of pores and mineral phases were also observed dependent on the imaging spatial resolution employed. This highlights the necessity for the application of such a multiscale approach for the characterization of complex aggregates such as rocks. Information acquired from the chemical mapping of different phases was also helpful in segmentation of phases that did not exhibit significant contrast in X-ray imaging. Adoption of the protocol used in this study can be broadly applied to 3D imaging studies being performed at the Advanced Light Source and other user facilities.

58 GEOSCIENCES↗

A Brief Survey of Data Streaming Technologies

Streaming data is data that is emitted at variable volumes in a continuous, incremental manner with the goal of low-latency processing often at a different physical location. Network infrastructure is used to facilitate the connection between data sources and sinks, and must be robust to handle the requirements of the workflow. The U.S. Department of Energy Office of Science (DOE SC) a federal agency supporting fundamental scientific research for energy and the Nation’s largest supporter of basic research in the physical sciences. DOE SC has the responsibility for operating $\mathbf{1 0}$ National Laboratories, and 28 scientific user facilities supporting advanced supercomputers, particle accelerators, large x-ray light sources, neutron scattering sources, and other specialized facilities for nanoscience and genomics. This paper investigates the state of streaming data workfows, and details some of the approaches to this challenging problem.

Kissel, Ezra↗

Privacy Preservation from High-Performance Computing to Autonomous Science [Industrial and Governmental Activities]

High-Performance Computing (HPC) and Leadership-Class Supercomputing are driving forces behind scientific advancements, enabling researchers to tackle complex challenges in physics, chemistry, biology, and engineering. These systems power vast simulations and data analyses, fueling discoveries in fields ranging from materials science to climate modeling. However, their use often involves processing sensitive data—such as proprietary industry simulations, biomedical records, and national security computations—posing significant privacy concerns. In conclusion, this issue is amplified in collaborative environments like Department of Energy (DOE) user facilities, where HPC resources are shared across institutions to foster innovation.

Kotevska, Olivera [Oak Ridge National Laboratory (↗

A 50 kA Superconducting Transformer for the Upcoming High-Field High-Current Testing Station at the BNL

Brookhaven national laboratory is upgrading its existing user facility to support R&D for High Energy Physics (HEP) and Fusion Energy Sciences (FES). The goal of this upgrade is to host the testing of the superconducting cables, conductors, joints and insert coils under high magnetic field (10 T), with currents up to 50 kA (present limit 20 kA) and at temperatures varying from 4 K to 40 K. To provide a current up to 50 kA to the sample, a superconducting core-less transformer is under construction. The superconducting transformer would additionally reduce the heat loss at the current leads at high currents. The SC transformer consists of two coaxial coils. The primary coil is inside the secondary coil. The primary coil consists of 3048 turns of rectangular wires (1.91 mm x 1.27 mm), wound in 24 layers. The secondary coil consists of 13 turns of the secondary cable (18.35 mm x 5.96 mm), wound in one layer. The parameters of the transformer are chosen to satisfy the space restrictions while using the available conductor. Here this paper presents the design of the 50-kA transformer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Testing of a 15 kA Superconducting Transformer

Here, the manufacturing of superconducting magnets for High Energy Physics (HEP) and Fusion Energy Sciences (FES) applications requires high-current conductors to generate stronger magnetic fields without increasing the inductance of the magnet. Increased inductance is undesirable due to the associated AC losses, which reduce the temperature margin; and the quench protection also becomes complicated. Testing high-current conductors with a direct current (DC) room temperature power supply is unfeasible for two primary reasons: 1) the limited capacity to supply large currents, and 2) the significant heat load losses at the current leads. A superconducting transformer offers a solution to both challenges. A 50-kA superconducting transformer is planned for manufacturing and commissioning at Brookhaven National Laboratory as part of its user facility upgrade. This transformer will facilitate the testing of superconducting cables, conductors, joints, and insert coils under high magnetic field conditions (10 T) and with currents up to 50-kA. To evaluate the manufacturing process and validate the theoretical models, the magnet division has developed and tested a 15-kA prototype transformer. A control loop has been implemented to ensure precise current delivery to the sample. This paper presents the coil design, manufacturing, and experimental results from the cold tests.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Optical damage considerations in the design of the matter in extreme condition upgrade (MEC-U) laser systems

The Matter in Extreme Conditions Upgrade (MEC-U) project is a major upgrade to the MEC instrument of the LINAC Coherent Light Source (LCLS) X-ray free electron laser (XFEL) user facility at SLAC National Accelerator Laboratory. Here, the envisioned MEC upgrade will significantly enhance the capabilities of the pump laser sources in current MEC experimental station, boosting the energy of the nanosecond shock driver from 100 J to the kJ level, and increasing the power and repetition rate of the short pulse laser from 25 TW at 5 Hz to 1 PW at 10 Hz rate. Building such high energy/power pump laser systems presents challenges to minimize and mitigate against laser-induced optical damage. Here, as part of the system design, we have identified the optics at high-risk to damage and we have designed the laser systems to mitigate against these damage risks to ensure sustained facility operation.

Coating↗

Arroyo Stream Processing Toolset (arroyopy) v0.1.0

Processing event or streaming data presents several technological challenges. A variety of technologies are often used by scientific user facilities. ZMQ is used to stream data and messages in a peer-to-peer fashion. Message brokers like Kafka, Redis Pubsub, EPICS PVA and RabbitMQ are often employed to route and pass messages from instruments to processing workflows. Arroyopy provides an API and structure to flexibly integrate with these tools and incorporate arbitrarily complex processing workflows, letting the hooks to the workflow code be independent of the connection code and hence reusable at a variety of instruments.

Chavez Esparza, Tanny Andrea [Lawrence Berkeley Na↗

Lightfall v0.0.1

Lightfall is a desktop application for synchrotron beamline instrument control, data acquisition, and live analysis at the Advanced Light Source (ALS). Built on Python and Qt, it provides a native graphical interface for operating beamline hardware, configuring and executing experimental scans, and visualizing results in real time. Key features include direct integration with EPICS control systems, a built-in electronic logbook, remote beamline access over secure tunnels, and an interprocess communication (IPC) architecture that coordinates with external analysis applications via ZMQ and EPICS process variables. This IPC approach allows Lightfall to orchestrate specialized analysis tools—including GPU-accelerated streaming correlators—without embedding them, avoiding the dependency conflicts common in monolithic scientific software platforms. Compared to prior approaches such as Xi-CAM's plugin-based architecture, Lightfall's design cleanly separates instrument control from domain-specific analysis, enabling feedback-driven acquisition where live analysis results can adjust scan parameters during an experiment. Its native Qt interface provides responsive performance for real-time data visualization that web-based alternatives struggle to match. Lightfall is designed for use by beamline scientists and staff operating synchrotron instruments at national user facilities.

Pandolfi, Ronald [Lawrence Berkeley National Labor↗