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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 235 records · Page 13

FPGA-accelerated SpeckleNN with SNL for real-time X-ray single-particle imaging

We present the implementation of a specialized version of our previously published unified embedding model, SpeckleNN, for real-time speckle pattern classification in X-ray Single-Particle Imaging (SPI), using the SLAC Neural Network Library (SNL) on an FPGA platform. This hardware realization transitions SpeckleNN from a prototypic model into a practical edge solution, optimized for running inference near the detector in high-throughput X-ray free-electron laser (XFEL) facilities, such as those found at the Linac Coherent Light Source (LCLS). To address the resource constraints inherent in FPGAs, we developed a more specialized version of SpeckleNN. The original model, which was designed for broader classification across multiple biological samples, comprised ~5.6 million parameters. The new implementation, while reducing the parameter count to 64.6K (a 98.8% reduction), focuses on maintaining the model's essential functionality for real-time operation, achieving an accuracy of 90%. Furthermore, we compressed the latent space from 128 to 50 dimensions. This implementation was demonstrated on the KCU1500 FPGA board, utilizing 71% of available DSPs, 75% of LUTs, and 48% of FFs, with an average power consumption of 9.4W according to the Vivado post-implementation report. The FPGA performed inference on a single image with a latency of 45.015 microseconds at a 200 MHz clock rate. In comparison, running the same inference on an NVIDIA A100 GPU resulted in an average power consumption of ~73W and an image processing latency of around 400 microseconds. Our FPGA-accelerated version of SpeckleNN demonstrated significant improvements, achieving an 8.9 × speedup and a 7.8 × reduction in power consumption compared to the GPU implementation. Key advancements include model specialization and dynamic weight loading through SNL, which eliminates the need for time-consuming FPGA design re-synthesis, allowing fast and continuous deployment of models (re)trained online. These innovations enable real-time adaptive classification and efficient vetoing of speckle patterns, making SpeckleNN more suited for deployment in XFEL facilities. This implementation has the potential to significantly accelerate SPI experiments and enhance adaptability to evolving experimental conditions.

47 OTHER INSTRUMENTATION↗

Computational solution verification and validation applied to a thermal model of a ruggedized instrumentation package

This study details a methodology for quantification of errors and uncertainties of a finite element heat transfer model applied to a Ruggedized Instrumentation Package (RIP). The proposed verification and validation (V&V) process includes solution verification to examine errors associated with the code's solution techniques, and model validation to assess the model's predictive capability for quantities of interest. The model was subjected to mesh resolution and numerical parameters sensitivity studies to determine reasonable parameter values and to understand how they change the overall model response and performance criteria. To facilitate quantification of the uncertainty associated with the mesh, automatic meshing and mesh refining/coarsening algorithms were created and implemented on the complex geometry of the RIP. Automated software to vary model inputs was also developed to determine the solution’s sensitivity to numerical and physical parameters. The model was compared with an experiment to demonstrate its accuracy and determine the importance of both modelled and unmodelled physics in quantifying the results' uncertainty. An emphasis is placed on automating the V&V process to enable uncertainty quantification within tight development schedules.

97 MATHEMATICS AND COMPUTING↗

Toward a Seamless Integration of Computing, Experimental, and Observational Science Facilities: A Blueprint to Accelerate Discovery

The Department of Energy, Office of Science operates world-leading facilities for experimental, observational, and computational science. DOE supercomputing facilities will reach performance at the scale of ExaFLOPs in the coming years, enabling new vistas of scale and precision for large scale simulations and data analysis. Experimental scientific facilities are undergoing similar upgrades that will lead to higher data rates and correspondingly larger computational demands, and will increase the need for near-real-time processing and resilient support for more complex workflows. A transformation of science is underway, with workloads at supercomputing facilities increasingly driven by this explosion of data from instruments and experimental facilities, as well as the accelerating use of Artificial Intelligence (AI) as a tool for scientific discovery. A seamless integration of computing, networking, instruments, and experimental facilities is required to support these emerging workloads and open up a new frontier of U.S. leadership in scientific discovery. We propose to accomplish this by providing frictionless access to the ASCR supercomputing facilities. We describe our vision of combining the power of ASCR supercomputers and networking infrastructure into an integrated scalable fabric, available to end user scientists via interfaces that aim to automate and simplify access to high performance computing systems. This will enable unprecedented computational science capabilities for experimental and observational facilities, and will create new opportunities to combine large simulations and modeling with experimental facility data analysis. This blueprint for creating an integrated network of computational and experimental facilities will provide an enriched discovery environment and open doors for new scientific communities to access the DOE’s world-leading computing and networking capabilities.

97 MATHEMATICS AND COMPUTING↗

Cubic crystals in an x-ray polarization-splitting geometry

Hexagonal and cubic crystals contain paired sets of internal planes that reflect the linearly polarized components of certain x rays into two separate, perpendicular directions. For the cubic crystals, two distinct crystal orientations provide the same polarization-splitting geometry. One of the orientations may have advantages for plasma spectroscopy by suppressing unwanted reflections. This paper demonstrates the two orientations with a germanium crystal and K characteristic lines from copper and zirconium.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An FPGA-based instrumentation platform for use at deep cryogenic temperatures

We describe the operation of a cryogenic instrumentation platform incorporating commercially available field-programmable gate arrays (FPGAs). The functionality of the FPGAs at temperatures approaching 4 K enables signal routing, multiplexing, and complex digital signal processing in close proximity to cooled devices or detectors within the cryostat. The performance of the FPGAs in a cryogenic environment is evaluated, including clock speed, error rates, and power consumption. Although constructed for the purpose of controlling and reading out quantum computing devices with low latency, the instrument is generic enough to be of broad use in a range of cryogenic applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Demonstration of an AI-driven workflow for autonomous high-resolution scanning microscopy

Abstract Modern scanning microscopes can image materials with up to sub-atomic spatial and sub-picosecond time resolutions, but these capabilities come with large volumes of data, which can be difficult to store and analyze. We report the Fast Autonomous Scanning Toolkit (FAST) that addresses this challenge by combining a neural network, route optimization, and efficient hardware controls to enable a self-driving experiment that actively identifies and measures a sparse but representative data subset in lieu of the full dataset. FAST requires no prior information about the sample, is computationally efficient, and uses generic hardware controls with minimal experiment-specific wrapping. We test FAST in simulations and a dark-field X-ray microscopy experiment of a WSe 2 film. Our studies show that a FAST scan of <25% is sufficient to accurately image and analyze the sample. FAST is easy to adapt for any scanning microscope; its broad adoption will empower general multi-level studies of materials evolution with respect to time, temperature, or other parameters.

47 OTHER INSTRUMENTATION↗

OLCF’s Advanced Computing Ecosystem (ACE): FY25 Update for Ongoing Efforts

The advent of widespread use of artificial intelligence (AI) and machine learning (ML) models in science, coupled with fast data production rates of scientific instruments strain the traditional batch-oriented high-performance computing (HPC) environment. As scientific exploration continues to require more data and faster processing and analysis, new emerging technologies and capabilities to enable cross-facility and time-sensitive workflows are required for seamless integration of HPC and experimental facilities. The Advanced Computing Ecosystem (ACE) is a strategic initiative within the Oak Ridge Leadership Computing Facility (OLCF) established in 2024 to support the development of cutting-edge technologies to advance computational research and infrastructure at OLCF and across the Department of Energy (DOE). Several DOE initiatives are spearheading the evolution of the scientific landscape by blurring facility boundaries and connecting the user facilities to advance scientific capabilities and ensure energy dominance. The DOE Integrated Research Infrastructure (IRI) program is one example that is laying a foundation to support complex cross-facility workflows. The IRI program aims to integrate diverse computational resources, data infrastructures, and scientific instruments to facilitate collaboration and accelerate scientific discovery. The Interconnected Science Ecosystem (INTERSECT) initiative at Oak Ridge National Laboratory (ORNL) is another example that aims to revolutionize scientific research through AI-driven, interconnected autonomous laboratories and research facilities. Finally, the American Science Cloud (AmSC), recently announced in the “One Big Beautiful Bill”, aims to leverage prior infrastructure efforts of the IRI and automation and AI efforts of INTERSECT (and others) to build a federated, AI-augmented AmSC platform to unify the DOE’s computing, experimental, and data resources to catalyze scientific innovation.

97 MATHEMATICS AND COMPUTING↗

Material Protection, Accounting and Control Technologies (MPACT) Implementation Plan: Lab-Scale Demonstration of Advanced Safeguard and Security Systems

The Materials Protection, Accounting, and Control Technologies (MPACT) campaign is working towards the goal of developing and demonstrating the next generation of nuclear materials management for the peaceful use of civilian nuclear energy. A major milestone of the campaign is the “Lab-scale demonstration of an advanced safeguards and security system,” due in 2020. This implementation plan describes how tools developed in the MPACT campaign will be used to meet this milestone. These tools consist of instrumentation and devices as well as computer software for modelling, simulation and integration of data and information for safeguard and security analysis. The plan is focused on demonstrating an advanced safeguard and security systems for electrochemical processing plants, but also identifies activities needed to address advanced reactor, aqueous processing and other advanced fuel cycle facilities. A key component to achieving the 2020 milestone is the development of a virtual distributed test bed that incorporates the instruments, data, analysis tools, and models currently under development and provides a framework to link and normalize the data in a way that simulates a facility, including uncertainty quantification. This virtual distributed test bed will integrate computer simulated facilities that make up a fuel cycle of interest, with distributed test beds located in actual operating facilities and laboratories. The MPACT campaign recently issued roadmaps for both Modelling & Simulation and Advanced Integration which address this component, and activities necessary to achieve the 2020 milestone. Research, development and testing of specific technologies have been supported by the MPACT campaign in coordination with other DOE-NE and DOE-NNSA programs. These technologies provide the essential data needed by the safeguard and security systems, and feed into the data analysis and facility models. This plan will identify these technologies, their current status and activities needed to demonstrate the technologies at the laboratory scale. Wherever possible, test of technologies in field conditions using suitable nuclear materials will be used to define performance. Where necessary, surrogate materials and/or simulation will be used to provide useful information for the demonstration. When completed, the 2020 milestone will provide a demonstration of advanced safeguard and security technologies, including advanced modelling, simulation and analysis approaches, applied to electrochemical processing. It will also identify applications of the technology and approaches in other advanced fuel cycle and reactor concepts.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Scaling HEP to Web size with RESTful protocols: The frontier example

The World-Wide-Web has scaled to an enormous size. The largest single contributor to its scalability is the HTTP protocol, particularly when used in conformity to REST (REpresentational State Transfer) principles. High Energy Physics (HEP) computing also has to scale to an enormous size, so it makes sense to base much of it on RESTful protocols. Frontier, which reads databases with an HTTP-based RESTful protocol, has successfully scaled to deliver production detector conditions data from both the CMS and ATLAS LHC detectors to hundreds of thousands of computer cores worldwide. Frontier is also able to re-use a large amount of standard software that runs the Web: on the clients, caches, and servers. I discuss the specific ways in which HTTP and REST enable high scalability for Frontier. I also briefly discuss another protocol used in HEP computing that is HTTP-based and RESTful, and another protocol that could benefit from it. My goal is to encourage HEP protocol designers to consider HTTP and REST whenever the same information is needed in many places.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A high precision instrument to measure angular and binocular deviation introduced by aircraft windscreens by using a shadow casting technique

Objects viewed through transparent sheets with residual non-parallelism and irregularity appear shifted and distorted. This distortion is measured in terms of angular and binocular deviation of an object viewed through the transparent sheet. The angular and binocular deviations introduced are particularly important in the context of aircraft windscreens and canopies as they can interfere with decision making of pilots especially while landing, leading to accidents. In this work, we have developed an instrument to measure both the angular and binocular deviations introduced by transparent sheets. This instrument is especially useful in the qualification of aircraft windscreens and canopies. It measures the deviation in the geometrical shadow cast by a periodic dot pattern trans-illuminated by the distorted light beam from the transparent test specimen compared to the reference pattern. Accurate quantification of the shift in the pattern is obtained by cross-correlating the reference shadow pattern with the specimen shadow pattern and measuring the location of the correlation peak. The developed instrument is handy to use and computes both angular and binocular deviation with an accuracy of less than {+-}0.1 mrad ( Almost-Equal-To 0.036 mrad) and has an excellent repeatability with an error of less than 2%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Flying Cages in Traveling Wave Ion Mobility: Influence of the Instrumental Parameters on the Topology of the Host–Guest Complexes

Supramolecular mass spectrometry has emerged in the last decade as an orthogonal method to access, at the molecular level, the structures of noncovalent complexes extracted from the condensed phase to the rarefied gas phase using electrospray ionization. It is often considered that the soft nature of the ESI source confers to the method the capability to generate structural data comparable to those in the condensed phase. In the present paper, using the ammonium ion/cucurbituril combination as a model system, we investigate using ion mobility and computational chemistry the influence of the instrumental parameters on the topology, i.e., internal versus external association, of gaseous host/guest complex ions. MS and theoretical data are confronted to condensed phase data derived from nuclear magnetic resonance spectroscopy to assess whether the instrumental parameters can play an insidious role when trying to derive condensed phase data from mass spectrometry results. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

A Systems Engineering Analysis of National Ignition Facility Industrial Controls Systems and Safety Interlock Systems Remote Input/Output Networking Migration from ControlNet to EtherNet/IP

The ControlNet industrial communications protocol and modules used in the Industrial Control System (ICS) and Safety Interlock System (SIS) at the National Ignition Facility (NIF) are no longer necessary and the ICS and SIS would be better served by migrating the communications structure to use EtherNet/Industrial Protocol (IP) and EtherNet bridge modules instead. By the admission of the vendor of ControlNet hardware, Rockwell Automation, in literature by Bill Petro [1], “Moving forward, customers will be able to optimize their asset utilization better using EtherNet/IP protocol than with ControlNet.” The NIF is one of the key elements of the Inertial Confinement Fusion (ICF) program at Lawrence Livermore National Laboratory (LLNL), a federally funded research and development center (FFRDC). The NIF contains the systems and provides the operational capacity to perform ICF, high energy density (HED), and discovery science experiments utilizing 192 individual beamlines, a host of diagnostics, and all the industrial systems required to facilitate these beamlines and diagnostics. The industrial systems are governed by the ICS and SIS, with the ICS providing control and the SIS providing monitoring and permissives. Construction on the NIF began in 1997 and was certified complete in 2009 and, as a result, the ICS and SIS were developed during this time using the tools that were available then. This includes the communications structure and protocols for these systems, much of which was, and still is, ControlNet. ControlNet, particularly during the time that the ICS and SIS were being built, has several attractive features. ControlNet hardware is exclusive to Rockwell Automation, which was the automation hardware chosen for the ICS and SIS. One feature that could be considered an advantage or a disadvantage depending on the communication needs of the system is that ControlNet also utilizes no active network components, excluding repeaters which are not always necessary. According to the architect of the ICS system at the NIF, Gordon Lau, one of the most attractive features of the ControlNet protocol during development of the ICS and SIS was that it is deterministic, providing timing of data transfer that is executed exactly as it is defined by the developer.

42 ENGINEERING↗

Progress In Developing An In-Pile Acoustically Telemetered Sensor Infrastructure

A salient grand challenge for a number of Department of Energy programs such as Fuels Cycle Research and Development ( includes Accident Tolerant Fuel research and the Transient Reactor Test Facility Restart experiments), Light Water Sustainability, and Advanced Reactor Technologies is to enhance our fundamental understanding of fuel and materials behavior under irradiation. Robust and accurate in-pile measurements will be instrumental to develop and validate a computationally predictive multi-scale understanding of nuclear fuel and materials. This sensing technology will enable the linking of fundamental micro-structural evolution mechanisms to the macroscopic degradation of fuels and materials. The in situ sensors and measurement systems will monitor local environmental parameters as well as characterize microstructure evolution during irradiation. One of the major road blocks in developing practical robust, and cost effective in-pile sensor systems, are instrument leads. If a wireless telemetry infrastructure can be developed for in-pile use, in-core measurements would become more attractive and effective. Thus to be successful in accomplishing effective in-pile sensing and microstructure characterization an interdisciplinary measurement infrastructure needs to be developed in parallel with key sensing technology. For the discussion in this research, infrastructure is defined as systems, technology, techniques, and algorithms that may be necessary in the delivery of beneficial and robust data from in-pile devices. The architecture of a system’s infrastructure determines how well it operates and how flexible it is to meet future requirements. The limiting path for the effective deployment of the salient sensing technology will not be the sensors themselves but the infrastructure that is necessary to communicate data from in-pile to the outside world in a non-intrusive and reliable manner. This article gives a high level overview of a promising telemetry infrastructure based on acoustic wireless transmission of data that is being developed and tested by the INL, Penn State and Westinghouse.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Sulfur Dioxide Analyzer Instrument Handbook

The Sulfur Dioxide Analyzer measures sulfur dioxide based on absorbance of UV light at one wavelength by SO 2 molecules which then decay to a lower energy state by emitting UV light at a longer wavelength. Specifically, SO 2 + hυ1 →SO 2 *→SO 2 + hυ2 The emitted light is proportional to the concentration of SO 2 in the optical cell. External communication with the analyzer is available through an Ethernet port configured through the instrument network of the AOS systems. The Model 43i-TLE is part of the i-series of Thermo Scientific instruments. The i-series instruments are designed to interface with external computers through the proprietary Thermo Scientific iPort Software. However, this software is somewhat cumbersome and inflexible. Brookhaven National Laboratory (BNL) has written an interface program in National Instruments LabView that both controls the Model 43i-TLE Analyzer AND queries the unit for all measurement and housekeeping data. The LabView vi (the software program written by BNL) ingests all raw data from the instrument and outputs raw data files in a uniform data format similar to other instruments in the AOS and described more fully in Section 6.0 below.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A split imaging spectrometer for temporally and spatially resolved titanium absorption spectroscopy

We present a temporally and a spatially resolved spectrometer for titanium x-ray absorption spectroscopy along 2 axial symmetric lines-of-sight. Each line-of-sight of the instrument uses an elliptical crystal to acquire both the 2p and 3p Ti absorption lines on a single, time gated channel of the instrument. The 2 axial symmetric lines-of-sight allow the 2p and 3p absorption features to be measured through the same point in space using both channels of the instrument. The spatially dependent material temperature can be inferred by observing the 2p and the 3p Ti absorption features. The data are recorded on a two strip framing camera with each strip collecting data from a single line-of-sight. The design is compatible for use at both the OMEGA laser and the National Ignition Facility. The spectrometer is intended to measure the material temperature behind a Marshak wave in a radiatively driven SiO{sub 2} foam with a Ti foam tracer. In this configuration, a broad band CsI backlighter will be used for a source and the Ti absorption spectrum measured.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Material Protection, Accounting, and Control Technologies (MPACT): Modeling and Simulation Roadmap

The development of sustainable advanced nuclear fuel cycles is a long-term goal of the Office of Nuclear Energy’s (DOE-NE) Fuel Cycle Technologies program. The Material Protection, Accounting, and Control Technologies (MPACT) campaign is supporting research and development (R&D) of advanced instrumentation, analysis tools, and integration methodologies to meet this goal. This advanced R&D is intended to facilitate safeguards and security by design of fuel cycle facilities. The lab-scale demonstration of a virtual facility, distributed test bed, that connects the individual tools being developed at National Laboratories and university research establishments, is a key program milestone for 2020. These tools will consist of instrumentation and devices as well as computer software for modeling. To aid in framing its long-term goal, during FY16, a modeling and simulation roadmap is being developed for three major areas of investigation: (1) radiation transport and sensors, (2) process and chemical models, and (3) shock physics and assessments. For each area, current modeling approaches are described, and gaps and needs are identified.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Whole-Cell Scan using Automatic Variable-Angle and Variable-Illumination-Depth Pseudo—Total Internal Reflection Fluorescence Microscopy

An automatic calibration and angle-scanning prism-type total internal reflection fluorescence microscope (TIRFM) was modified to function in both TIRFM and pseudo-TIRFM modes. When the incident angle of the excitation laser beam was controlled to be larger than the critical angle, the instrument served as a variable-angle TIRFM. A homemade computer program automatically calibrates the laser illumination spot in the sample to overlap with the center of the microscope's field of view. Then, by measuring the fluorescence intensities at different incident angles, the z-positions of fluorescent nanospheres close to the cell basolateral membrane can be extracted. When the incident angle is reduced to be in the subcritical range, the instrument works as a pseudo-TIRFM. The whole cell body from bottom to top can be imaged in a vertical scan process. Furthermore, the illumination field depth in the pseudo-TIRFM can be controlled by changing the incident angle or the horizontal position of the laser spot.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Real time numerical computation of corrosion rates from corrosion sensors

A method for determining a corrosion rate includes receiving an input signal including corrosion data from a sensor. A signal-to-noise ratio (SNR) and a type of noise is determined from the input signal. A corrosion rate computation method is selected based on the SNR and the type of noise. The corrosion rate is determined, using a processor, based on a selected corrosion rate computation method.

36 MATERIALS SCIENCE↗