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At least 37 records · Page 2

Development of the microcalorimeter and anticoincidence detector for the Line Emission Mapper x-ray probe

The Line Emission Mapper (LEM) is an x-ray probe mission concept that is designed to provide unprecedented insight into the physics of galaxy formation, including stellar and black-hole feedback and flows of baryonic matter into and out of galaxies. LEM incorporates a light-weight x-ray optic with a large-format microcalorimeter array. The LEM detector utilizes a 14k pixel array of transition-edge sensors (TESs) that will provide <2.5 eV spectral resolution over the energy range 0.2 to 2 keV, along with a field-of-view of 30 arcmin. The microcalorimeter array and readout builds upon the technology developed for the European Space Agency’s (ESA’s) Athena/x-ray Integral Field Unit. Here, we present a detailed overview of the base- line microcalorimeter design, its performance characteristics, including a detailed energy resolution budget and the expected count-rate capability. In addition, we outline the current status and plan for continued technology maturation. Behind the LEM array sits a high-efficiency TES-based anticoincidence (antico) detector that will reject cosmic-ray background events. We will briefly describe the design of the antico and plan for continued development.

47 OTHER INSTRUMENTATION↗

Seismic constraints from a Mars impact experiment using InSight and Perseverance

NASA’s InSight (Interior Exploration using Seismic Investigations, Geodesy and Heat Transport) mission has operated a sophisticated suite of seismology and geophysics instruments on the surface of Mars since its arrival in 2018. On 18 February 2021, we attempted to detect the seismic and acoustic waves produced by the entry, descent and landing of the Perseverance rover using the sensors onboard the InSight lander. Similar observations have been made on Earth using data from both crewed and uncrewed spacecraft, and on the Moon during the Apollo era, but never before on Mars or another planet. This was the only seismic event to occur on Mars since InSight began operations that had an a priori known and independently constrained timing and location. It therefore had the potential to be used as a calibration for other marsquakes recorded by InSight. Here we report that no signal from Perseverance’s entry, descent and landing is identifiable in the InSight data. Nonetheless, measurements made during the landing window enable us to place constraints on the distance–amplitude relationships used to predict the amplitude of seismic waves produced by planetary impacts and place in situ constraints on Martian impact seismic efficiency (the fraction of the impactor kinetic energy converted into seismic energy).

79 ASTRONOMY AND ASTROPHYSICS↗

Even Higher-Level Synthesis: An Exploration of AI Hardware Accelerators using HLS4ML

With the rise of artificial intelligence, the popularization of deep learning, and a constantly evolving industry, the demand for flexible and efficient tools has never been greater. As algorithms grow more complex, their runtime and energy consumption increase exponentially. Customized hardware accelerators, long used for specific mathematical operations, remain essential for managing modern applications' computational and power demands. Hardware accelerators can speed up complex computations by orders of magnitude, but their manual design and verification processes are often challenging and time-consuming. High-Level Synthesis (HLS) provides a solution by transforming high-level algorithm descriptions, typically written in C++ or SystemC, into synthesizable RTL suitable for hardware implementation. This approach reduces development time for RTL engineers while offering flexibility beyond what traditional handwritten RTL can provide. We extended this capability to the machine-learning domain with the open-source framework hls4ml, which allows neural networks trained in Python frameworks like Tensorflow or PyTorch to be synthesized into efficient hardware representations for the traditional FPGA and ASIC flows. This breakthrough addresses the growing need for reduced design turnaround and easy verification of ML hardware accelerators with low latency and power efficiency constraints. During this tutorial, we will demonstrate how Python complements HLS by simplifying the ML design process, bridging the gap between software and hardware development. Attendees will explore how we translate neural networks modeled in Python into fixed-point C++ models suitable for HLS workflows. We will dive into strategies like Value-Range Analysis and Quantization-Aware Training, which optimize these designs for deployment and evaluate their accuracy, power consumption, and energy efficiency. To exemplify these concepts, experts from Fermilab will share their experiences applying this technology to high-energy physics experiments, where real-time, low-latency processing is critical. Over the years, Fermilab engineers have demonstrated how deep neural networks, optimized for hardware using hls4ml, can meet the stringent requirements of trigger systems at the CERN Large Hadron Collider. These systems rely on rapid decision-making to process immense data volumes while retaining only the most relevant events for further analysis. The application of hls4ml has also been extended to innovative technologies like smart pixel arrays. These smart pixels integrate ML inference capabilities directly into sensor devices, enabling localized data processing at the pixel level. This approach drastically reduces the need to transmit raw data to external processing units, significantly decreasing power consumption and latency. By embedding neural networks within the pixel architecture, the smart pixels can identify and prioritize relevant data in real time, providing a highly efficient solution for edge computing in scenarios such as particle detectors and imaging systems. Fermilab's work highlights the potential of hardware-accelerated ML in scenarios where both speed and power efficiency are mission-critical. Through this tutorial, attendees will gain valuable insights into the challenges and solutions of deploying ML in hardware. Understanding how HLS and hls4ml streamline the development of neural network-based hardware accelerators is fundamental for the industry's future. Participants will learn how these technologies are shaping the future of AI and scientific computing.

Di Guglielmo, Giuseppe [Fermilab]↗

Advanced Research Directions on AI for Science, Energy, and Security: Report on Summer 2022 Workshops

Over the past decade, fundamental changes in artificial intelligence (AI)—from foundational to applied—have delivered dramatic insights across a wide breadth of U.S. Department of Energy (DOE) mission space. AI is helping to augment and improve scientific and engineering workflows (e.g., for control, design, and dramatic performance gains through surrogate models) in national security, the Office of Science, and DOE’s applied energy programs. The progress and potential for AI in DOE science was captured in the 2020 “AI for Science” report from the DOE laboratory community in collaboration with academia and industry. Specific scientific areas ready to further leverage the power of AI ranged from the scale and performance of computational models to data analysis to creating new classes of observations using computer vision. Since that report, the scale and scope of scientific AI have accelerated, revealing new, emergent properties that yield insights that go beyond enabling opportunities to being potentially transformative in the way that scientific problems are posed and solved. Thus, under the guidance of both the Office of Science (SC) and the National Nuclear Security Administration (NNSA), the DOE national laboratories organized a series of workshops in 2022 to gather input on new and rapidly emerging opportunities and challenges of scientific AI. This 2023 report is a synthesis of those workshops. The scientific community believes AI can have a foundational impact on a broad range of DOE missions, including science, energy, and national security. Further, DOE has unique capabilities that enable the community to drive progress in scientific use of AI, building on long-standing DOE strengths and investments in computation, data, and communications infrastructure, spanning the Energy Sciences Network (ESnet), the Exascale Computing Project (ECP), and integrative programs such as the NNSA Office of Defense Programs Advanced Simulation and Computing (ASC) and the SC Scientific Discovery through Advanced Computing (SciDAC) programs.

97 MATHEMATICS AND COMPUTING↗

Orbital-Radar v1.0.0: a tool to transform suborbital radar observations to synthetic EarthCARE cloud radar data

The Earth Cloud, Aerosol and Radiation Explorer (EarthCARE) satellite developed by the European Space Agency (ESA) and the Japan Aerospace Exploration Agency (JAXA) launched in May 2024 carries a novel 94 GHz cloud profiling radar (CPR) with Doppler capability. This work describes the open-source instrument simulator Orbital-Radar, which transforms high-resolution radar data from field observations or forward simulations of numerical models to CPR primary measurements and uncertainties. The transformation accounts for sampling geometry and surface effects. We demonstrate Orbital-Radar's ability to provide realistic CPR views of typical cloud and precipitation scenes. The presented case studies show small-scale convection, marine stratus clouds, and Arctic mixed-phase cloud cases. These results provide valuable insights into the capabilities and challenges of the EarthCARE CPR mission and its advantages over the CloudSat CPR. Finally, Orbital-Radar allows for evaluating kilometre-scale numerical weather prediction models with EarthCARE CPR observations. So, Orbital-Radar can generate calibration and validation (Cal/Val) data sets already pre-launch. Nevertheless, an evaluation of synthetic CPR output data to accurate EarthCARE CPR data is missing.

54 ENVIRONMENTAL SCIENCES↗

FORESTR: Finding, Organizing, Representing, Explaining, Summarizing, and Thinning Random forests

Random forests have become popular models used for data driven predictions. As a result, random forests are currently used or being considered for high-consequence mission applications in national security, such as the prediction of yield from optical signals and malware detection. While random forests may provide accurate predictions, the complexity of the algorithm causes a lack of interpretability. Random forests are an ensemble of regression or decision trees. Individual regression and decision trees are interpretable, but ensembles are inherently difficult to interpret due to the compilation of many models. We aim to increase the interpretability of random forests by finding patterns in the ensemble of trees that can be used to “thin” (or remove) trees. As a starting point, in this report, we develop a new distance metric for quantifying the similarity between trees based on their topologies (i.e., shapes). We base the metric on a novel distance metric for graphs that is a proper mathematical distance, is invariant to transformations, has registration between graphs, and computes topological evolutions between graphs. We use the tree distance metric to compute tree statistics such as a “mean tree” and to identify clusters of trees. We apply the developed methodology to a toy dataset and a mission relevant product inspection dataset to demonstrate how the metric can provide insight into random forests. Furthermore, we discuss the limitations of the approach and ideas for future research into how the metric could be used as a thinning tool to develop less complex models.

97 MATHEMATICS AND COMPUTING↗

ExoReL{sup R}: A Bayesian Inverse Retrieval Framework for Exoplanetary Reflected Light Spectra

The high-contrast imaging technique is meant to provide insight into those planets orbiting several astronomical units from their host star. Space missions such as Wide-Field InfraRed Survey Telescope, Habitable Exoplanet Imaging Mission, and Large Ultra-Violet/Optical/InfraRed Surveyor will measure reflected light spectra of cold gaseous and rocky planets. To interpret these observations, we introduce ExoReL{sup R} (Exoplanetary Reflected Light Retrieval), a novel Bayesian retrieval framework to retrieve cloud properties and atmospheric structures from exoplanetary reflected light spectra. As a unique feature, it assumes a vertically nonuniform volume mixing ratio (VMR) profile of water and ammonia, and uses it to construct cloud densities. In this way, clouds and molecular mixture ratios are consistent. We apply ExoReL{sup R} on three test cases: two exoplanets (υ And e and 47 Uma b) and Jupiter. We show that we are able to retrieve the concentration of methane in the atmosphere, and estimate the position of clouds when the signal-to-noise ratio of the spectrum is higher than 15, in line with previous works. Moreover, we described the ability of our model to give a chemical identity to clouds, and we discussed whether or not we can observe this difference in the planetary reflection spectrum. Finally, we demonstrate how it could be possible to retrieve molecular concentrations (water and ammonia in this work) below the clouds by linking the nonuniform VMR profile to the cloud presence. This will help to constrain the concentration of water and ammonia unseen in direct measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

Women in Nuclear Security: The United Arab Emirates Story

Historically in the United Arab Emirates, security personnel stationed at nuclear sites were typically men with military or policing backgrounds. Although these groups bring important, transferrable skills and experience to the nuclear security mission, some Emirati stakeholders recognize the increased benefit of a greater diversity of voices and backgrounds within the nuclear security team hierarchy. By recruiting from a wider range of disciplines and encouraging gender diversity, the security team could develop broader insight into security challenges, and a greater variety of perspectives could bring forth more innovative solutions. When aligning a diverse, multinational workforce with a common mission, all members of a security organization must fundamentally change their individual approaches to the work; the entire staff must be on the same page. This can be particularly challenging for some people who find it difficult to transition from a framework of beliefs because of past experiences based on prescriptive, exclusionary, hierarchical thought. Also, national cultural values are learned early, held deeply, and change slowly over the course of generations, and inherent biases rooted in these values can create barriers to the collective progress of a team. Creating a more open, diverse, and transparent culture for the team by accepting a unique, egalitarian, professional nuclear security culture that all members adhere to can be a challenging task for some. In this article, I share my experiences related to professional roadblocks, personal challenges, and lessons learned, particularly those regarding the empowerment of women in science and engineering, while developing and establishing the United Arab Emirates nuclear security program. I also discuss the support (and underrepresentation) of women, including those currently in critical leadership positions, and their careers in nuclear security.

Barakah Nuclear Power Plant↗

A Tool for the Risk-Informed Management of Critical Mission Resilience

We describe a methodology and tool for the risk-informed management and planning of mission resilience. By mapping concepts of resilience onto the elements of a streamlined risk model we are able to tap the substantial portfolio of established risk concepts to provide rapid insights in the evaluation and high-level screening of prospective resilience enhancement measures. This provides a risk-informed, levelized basis for the comparison of disparate resilience solutions and the means of establishing preferences. The methodology begins with identification of critical missions met by a site, and establishment of the supporting physical assets. Scenarios that would result in failure of these assets are systematically identified. Each scenario comprises three elements: realization of a hazard or threat resulting in loss of resources (the current focus being on power, natural gas, and water) to the asset, failure of measures in place to protect the asset against those losses, and realization of the consequent impacts. These scenarios are quantified in terms of their probabilities of occurrence and the magnitude of the resultant consequences (mission outage time), allowing risk-prioritization to focus resilience enhancement considerations. What-If? analyses are conducted through adjusting elements of the risk calculation to reflect the deployment of prospective resilience measures, by which means the efficacies of each of those measures can be compared using common risk metrics across diverse resilience strategies. This paper will also describe the insights from example applications.

resilience, risk, risk assesment, energy, water↗

Novel Microbial Based Enzymatic CO 2 Fixation Mechanisms

The broad, long term goal of the research is to provide insight into the mechanism of novel carboxylation reactions catalyzed by enzymes involved in bacterial alkene, ketone, and epoxide metabolism. Novel convergent pathways in the model microorganism Xanthobacter autotrophicus have been described in which epoxides produced by alkene oxidation and ketones produced by the oxidation of alcohols are further carboxylated and utilized in energy yielding pathways. Both alkene/epoxide and alcohol/ketone pathways involve distinct carboxylases with unique molecular properties and cofactor requirements that represent alternative mechanisms of CO 2 fixation. The main focus and aims of this project is to provide structural basis for the mechanistic understanding of the reactions catalyzed by 2-ketopropyl coenzyme M oxidoreductase / carboxylase and acetone carboxylase, the terminal steps in the convergent pathways of alkene/epoxide and alcohol ketone metabolism in X. autotrophicus strain Py2. Interestingly, coenzyme M (CoM), the simplest known organic coenzyme, has been shown to have a central role in the pathway of alkene/epoxide carboxylation. Prior to this discovery CoM was thought only to be involved in methanogenesis in archaea. In addition to the carboxylation mechanisms, we are examining the enzymology of the biosynthesis of CoM in bacteria and we have already determined that it is biochemically distinct from that of CoM synthesized by methanogens. The proposed studies will reveal new and unique insights into CO 2 fixation pathways and carboxylation chemistry. We are utilizing a multidisciplinary approach involving kinetic studies, site-specific amino acid substitution studies, and the determination of high-resolution structures of enzymes in the presence of substrate analogs and mechanism base inhibitors to ascertain information concerning the biochemical mechanisms of enzyme catalyzed reactions. Within the context of the mission of the Department of Energy and the core activities of the Energy Biosciences, the results obtained in the study will reveal new insights into these novel carboxylation reactions and will provide the basis for the comparison of the mechanism of these interesting enzymes to other well-characterized biological mechanisms for CO 2 fixation and carboxylation. Knowledge concerning the mechanism of these enzymes provides the basis for an increased fundamental understanding of carboxylation chemistry that could contribute to future mechanisms for CO 2 capture and fixation and, in turn, to mitigating the effects of increasing concentrations of CO 2 on global climate change.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Peritectic phase transition of benzene and acetonitrile into a cocrystal relevant to Titan, Saturn's moon

Benzene and acetonitrile are two of the most commonly used solvents found in almost every chemical laboratory. Titan is one other place in the solar system that has large amounts of these compounds. On Titan, organic molecules are produced in the atmosphere and carried to the surface where they can mineralize. In this work, we report the phase diagram of mixtures of acetonitrile and benzene, and provide an account of the structure and composition of the phases. To mimic the environment on Titan more accurately, we tested the stability of the structure under liquid ethane. The results provide new insights into the structure and stability of potential extraterrestrial minerals. In light of Dragonfly, NASA's upcoming mission to Titan, revisiting the fundamental chemistry of the smallest molecules with modern methods and techniques can have significant contributions to this epochal mission and can open new research directions in chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sandia National Laboratories Ecosystem for Open Science: Metadata Schema v0.2 Description.

The Ecosystem for Open Science (eOS) initiative was established in 2019. Its objective is improving openness and sharing of data and information across Defense Nuclear Nonproliferation (DNN) Research and Development (R&D) activities. To support this initiative, the eOS team at Sandia National Laboratories (SNL) developed metadata and data standards and proposed a machine-readable metadata schema. The nuclear explosion monitoring field was selected as a focus area due to its the wide range of pertinent phenomenologies.We developed the DCAT-eOS-AP metadata schema extending the Data Catalog Vocabulary version 2 (DCATv2) standard using an application profile (AP), to fit the needs of multi-disciplinary NA-22 projects. The DCAT-eOS-AP metadata schema describes data at different levels of granularity ranging from general descriptions to more domain-specific granular metadata. Its implementation and serialization is flexible with the ability to include new file or data types. Thus, it will scale with the ever-increasing data management needs of government research. Due to the multitude of phenomenologies represented in the DCAT-eOS-AP schema, we anticipate that it will be easily extensible to various projects across many DOE mission areas. This document describes data management challenges faced within the DNN R&D portfolio and provides insight on how metadata and data standards/guidelines combined with a comprehensive metadata schema can add value to programs throughout the Department of Energy (DOE). It reviews the importance of metadata standards, FAIR (Findability, Accessibility, Interoperability, and Reusability) data principles, and metadata schemas. Additionally, it summarizes input from subject matter experts (SME) at SNL and other National Laboratories that resulted in metadata and data standards/guidelines encompassing domains relevant to NA-22 projects. Finally, we discuss the DCAT-eOS-AP metadata development. Implementation recommendations and future development directions are included for those keen on adopting the DCAT-eOS-AP metadata schema.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

Semi-supervised Bayesian Low-shot Learning

Deep neural networks (NNs) typically outperform traditional machine learning (ML) approaches for complicated, non-linear tasks. It is expected that deep learning (DL) should offer superior performance for the important non-proliferation task of predicting explosive device configuration based upon observed optical signature, a task which human experts struggle with. However, supervised machine learning is difficult to apply in this mission space because most recorded signatures are not associated with the corresponding device description, or “truth labels.” This is challenging for NNs, which traditionally require many samples for strong performance. Semi-supervised learning (SSL), low-shot learning (LSL), and uncertainty quantification (UQ) for NNs are emerging approaches that could bridge the mission gaps of few labels and rare samples of importance. NN explainability techniques are important in gaining insight into the inferential feature importance of such a complex model. In this work, SSL, LSL, and UQ are merged into a single framework, a significant technical hurdle not previously demonstrated. Exponential Average Adversarial Training (EAAT) and Pairwise Neural Networks (PNNs) are chosen as the SSL and LSL methods of choice. Permutation feature importance (PFI) for functional data is used to provide explainability via the Variable importance Explainable Elastic Shape Analysis (VEESA) pipeline. A variety of uncertainty quantification approaches are explored: Bayesian Neural Networks (BNNs), ensemble methods, concrete dropout, and evidential deep learning. Two final approaches, one utilizing ensemble methods and one utilizing evidential learning, are constructed and compared using a well-quantified synthetic 2D dataset along with the DIRSIG Megascene.

97 MATHEMATICS AND COMPUTING↗

Approach and Model Used to Represent a Timeline Analysis for Security Design Enhancements

Next-generation reactors will be able to use risk to inform and performance base the licensing of many aspects of the reactor, facility, and site design, including attributes of physical security. There are several factors related to security, including site topography, reactor design, and physical protection system components, to consider when designing the physical protection system into the overall facility design and plan of operation. With the versatility of advanced reactors, especially micro reactors, methods are needed to simplify and quickly evaluate potential timelines for designing a site configuration. This report describes an approach to generate qualitative and quantitative insights using a risk-informed simulation. The modeling process is described in detail, focusing on three aspects: (1) the facility mission time (the time required to control the plant until safe), (2) the attacker timeline (the time to potential sabotage), and (3) the response timeline (the time to counter the facility attack). The modeling capabilities also are extended to include facility physical phenomena such as thermal-hydraulics and heat transfer to capture realistic representation of dynamic changes to a facility. While the plant models and examples are hypothetical and do not represent a real facility, these modeling approaches could be used for future security-by-design engineering in advanced reactors. The outputs and insights from the modeling approach may be used to modify and optimize the security posture of a facility by efficiently making modifications to the model and seeing the overall impact from the modification. Lastly, use of the approach described in this report can also provide the technical basis for a physical protection program, describing how the facility and security strategy will cope with off-normal events.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NREL’s Collaboration with Alaska’s Cold Climate Housing Research Center Builds Mission Impact in Extreme Climates

A new collaboration between NREL and CCHRC represents the combination of NREL’s wealth of knowledge and experience in the building technology space with decades of experience researching building technologies in extreme climates by CCHRC. The collaboration generates potential for creative, new ideas, creates opportunities for researchers on both ends, and rapidly expands NREL’s mission impact on a global scale by granting it access to Arctic climates, test facilities at CCHRC, and new insight into the local landscape and native challenges.

Alaska↗

NREL’s Collaboration with Alaska’s Cold Climate Housing Research Center Builds Mission Impact in Extreme Climates

A new collaboration between NREL and CCHRC represents the combination of NREL’s wealth of knowledge and experience in the building technology space with decades of experience researching building technologies in extreme climates by CCHRC. The collaboration generates potential for creative, new ideas, creates opportunities for researchers on both ends, and rapidly expands NREL’s mission impact on a global scale by granting it access to Arctic climates, test facilities at CCHRC, and new insight into the local landscape and native challenges.

Alaska↗

Assessment of ROI for Workforce Development Efforts National & Homeland Security

The IDEAL Professional Engagement project at Idaho National Laboratory (INL) aims to enhance the laboratory's workforce diversity and inclusivity efforts, focusing on the U.S. National and Homeland Security mission areas. This project involves researching and evaluating opportunities for INL to engage in various professional events, particularly cyber conferences, to support recruitment and professional development. The project involved several key tasks: compiling comprehensive information on national laboratories and their mission statements, developing a deep understanding of INL’s role and efforts in national and homeland security, and identifying and engaging key stakeholders. Interviews were conducted with a set of targeted questions, and the findings were analyzed to identify common themes, insights, and actionable recommendations. Additionally, relevant upcoming cyber conferences were identified, various sponsorship levels and their associated benefits were evaluated, and the recruitment potential of these conferences was assessed. A detailed cost analysis was performed, including registration fees and travel expenses, and a cost-benefit analysis was conducted to evaluate the financial viability and potential return on investment (ROI) of conference participation and sponsorship. Based on the research and analysis, actionable recommendations for conference participation and sponsorship were formulated, ensuring alignment with INL’s mission and diversity goals. Preliminary results include a comprehensive list of relevant cyber conferences, a detailed cost analysis, and a set of actionable recommendations for future conference participation and sponsorship. The analysis highlights the financial requirements and geographical distribution of these conferences, providing valuable insights for INL's engagement strategies. This project underscores the importance of strategic engagement in professional events to attract and develop a diverse and skilled workforce, ultimately supporting INL’s mission areas in U.S. National and Homeland Security.

99 GENERAL AND MISCELLANEOUS↗

Water Power Technologies Office: 2021-2022 Accomplishments Report

The report details key performance goals for each of WPTO’s activity areas until 2025 and includes long-term, follow-on objectives through 2030. This report serves as a strategic vision and operational guide to help WPTO manage and coordinate its future activities and communicate its mission, goals, and plans. The Multi-Year Program Plan was an integral part of the 2022 Peer Review, providing reviewers insight and guidance on the office’s strategy to which WPTO-funded projects must align.

13 HYDRO ENERGY↗