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At least 739 records · Page 41

AI for Materials Design and Discovery Using Atomistic Scale Information [Industrial and Governmental Activities]

The design and discovery of materials with desired functional properties is pivotal to the scientific mission of the United States Department of Energy (US-DOE) [1], which includes within its portfolio several important applications for the national economy and security. Importantly, these applications range from: renewable energy (e.g., solar cells, organic photovoltaics, and organic light-emitting diodes), energy storage (e.g., batteries and supercapacitors), and carbon capture and sequestration, to synthesis of manufacturing of new materials (e.g., drugs, or materials with desired conductivity, thermal stability, and catalytic activity), and nuclear energy (e.g., highly performant nuclear fuels and materials with improved nuclear shielding properties).

97 MATHEMATICS AND COMPUTING↗

Pulsar Based Timing for Grid Synchronization

Existing synchronization systems in the power grid, such as the global positioning system, are susceptible to temporary or permanent failures due to various unpredictable and uncontrollable factors such as cyber-attack and electromagnetic interferences, thus affecting the accuracy and reliability of generated timing signal. In this article, a pulsar astronomy-based timing system is proposed to provide an alternative synchronization signal. Further, this clock will offer significant security improvements to power grid applications, such as a wide-area monitoring system, which depends on a precise timing signal. The hardware and software frameworks are described in detail. First, a high-speed sampling hardware platform is designed to collect signals from radio telescopes. Then a periodic pulse extraction method with three steps is proposed to process the pulsar signal, including polyphase filterbanks, incoherent de-dispersion, and sliding window folding. Lastly, three experiments are conducted to verify the effectiveness of the frameworks. The generated pulsar timing pulse is presented, and the factors affecting its accuracy are also discussed. The analysis results demonstrate that the pulsar signals can provide high-accurate timing pulses for grid synchronization.

24 POWER TRANSMISSION AND DISTRIBUTION↗

fbWecCntrl

fbWecCntrl is set of MATLAB functions and scripts demonstrating a causal impedance matching approach to wave energy converter (WEC) control design. SAND2020-12219 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Coe, Ryan↗

tenzing

SAND2022-3576 O tenzing provides techniques for improving the performance of key applications and libraries. The program is specified as a directed acyclic graph of operations. It uses Monte-Carlo tree search to explore the design space of possible implementations and applies machine learning to the observed empirical performance to deliver design guidance to users. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗

Enterprise Credentialing Service Statement of Work (SOW)

The scope of this project includes providing professional services in support of the development and deployment of an Enterprise Credentialing Service for the Department of Energy (DOE) National Nuclear Security Administration (NNSA), which will be used for issuing and managing credentials used for authentication, digital signature, and encryption functions by users, applications, and devices in a closed computing environment. The Seller shall provide subject matter expertise for the design and deployment of the technologies and processes that comprise the Enterprise Credentialing Service, which will include a public key infrastructure (PKI) and a credential management system (CMS) that issues and manages PKI-based smartcard credentials. The Enterprise Credentialing Service will support approximately 17,000 users at 15 DOE NNSA sites and laboratories located across the continental United States.

97 MATHEMATICS AND COMPUTING↗

Preliminary Thermal-Hydraulic Analysis of the UTA–2 Subcritical Linear Accelerator–Driven System

The National Nuclear Security Administration’s mission includes establishing a reliable supply of 99 Mo without highly enriched uranium. Oak Ridge National Laboratory (ORNL) supports this objective through collaborative research and development with industrial partners. Niowave Inc., a current partner, is currently designing a subcritical linear accelerator-driven system (ADS) and preparing for the US Nuclear Regulatory Commission’s licensing process. Niowave’s system has the potential to efficiently supply medical radioisotopes. The technology includes a superconducting electron accelerator and a pile of both natural and low-enriched uranium (LEU) targets. The process fissions uranium and many valuable isotopes can then be extracted from the targets. Niowave is currently iterating through conceptual and detailed design processes for several system sizes. This report discusses UTA–2, which is at the demonstration stage. UTA–2 will validate numerical modeling results with experimental measurements before progressing to the detailed design of UTA–3, the commercial-sized ADS. The thermal-hydraulic behavior of the UTA–2 core design was numerically investigated using STAR-CCM+, as described in this report. STAR-CCM+, a state-of-the-art computational fluid dynamics (CFD) software that was commercially developed by Siemens, has an extensive user base and a set of validation studies. It is also compliant with the American Society of Mechanical Engineers’ Nuclear Quality Assurance 1 standard. Three cases are investigated in this report. Case 1 quantified the temperature field within the UTA–2 assembly and water tank using only conduction as the method of thermal energy transport. This simplified approach was overly conservative and yielded wetted cladding temperatures above the coolant saturation temperature. In this case, the maximum temperature of the wetted cladding surface of the highest power rod exceeded the saturation temperature of water by 63.8°C. Because of the overly conservative approach taken in Case 1 and its negative subcooled margin, buoyancy-driven natural circulation flow physics were implemented in Case 2. Adding coolant motion significantly distributed the thermal energy of the system through convective heat transfer. This relatively small amount of convective heat transfer significantly reduced system temperatures and increased the subcooled margin from –63.8 to 61.3°C. This margin confirmed that no boiling was expected during normal operation of UTA–2 at 230 W. Case 3 had no additional physics models but considered an overpower event during which the power of each LEU and natural uranium rod was at its respective peak values. This resulted in a study with the total assembly power equal to 176% of the nominal power of 230 W considered in Cases 1 and 2. The resulting natural circulation flows were slightly enhanced. The subcooled margin decreased slightly to 46.3°C, which is still a significant margin to local boiling of the water within the tank. This margin confirmed that no boiling was expected during an abnormal operation of UTA–2 at 406 W.

07 ISOTOPE AND RADIATION SOURCES↗

Radiation Signature Training Device Gamma Equivalent Spheres

Radiation signature training device sources are a continuation of a previous effort to produce a highly enriched uranium equivalent sphere. The original research was designed and motivated to produce a Department of Transportation special form source that emulated the passive gamma signature of a solid metal highly enriched uranium sphere. In addition, the mass reduction (i.e., of the 235 U) minimized logistical costs (security, criticality safety, radiological safety and transportation requirements). Radiation signature training device sources expand on the original concept, redesigning the encapsulation in a modular fashion that allows a variety of loadings. The result is a reconfigurable special nuclear material source set that can vary greatly in the magnitude of the gamma flux and the isotopic distribution. Use of the source to test a variety of standards (N42.34-2015, N42.38-2015, N42.43-2015, N42.53-2018, N42.48-2018, DHS-TCS Backpack Based Radiation Detection Systems, DHS-TCS Handheld Instruments Used for the Detection and Identification of Radionuclides, DHS-TCS Vehicle Mounted Mobile Systems) will be discussed.

Blessinger, Christopher S.↗

Expanding Accurate Person Recognition to New Altitudes and Ranges: The BRIAR Dataset

Face recognition technology has advanced significantly in recent years due largely to the availability of large and increasingly complex training datasets for use in deep learning models. These datasets, however, typically comprise images scraped from news sites or social media plat-forms and, therefore, have limited utility in more advanced security, forensics, and military applications. These applications require lower resolution, longer ranges, and ele-vated viewpoints. To meet these critical needs, we collected and curated the first and second subsets of a large multi-modal biometric dataset designed for use in the research and development (R&D) of biometric recognition technolo-gies under extremely challenging conditions. Thus far, the dataset includes more than 350,000 still images and over 1,300 hours of video footage of approximately 1,000 sub-jects. To collect this data, we used Nikon DSLR cameras, a variety of commercial surveillance cameras, specialized long-rage R&D cameras, and Group 1 and Group 2 UAV platforms. The goal is to support the development of algorithms capable of accurately recognizing people at ranges up to 1,000 m and from high angles of elevation. These ad-vances will include improvements to the state of the art in face recognition and will support new research in the area of whole-body recognition using methods based on gait and anthropometry. This paper describes methods used to col-lect and curate the dataset, and the dataset's characteristics at the current stage.

Brogan, Joel↗

Cyber-Informed Engineering (CIE) Benefits Quantification: Recommendations for Consideration

Cyber-Informed Engineering (CIE) integrates engineering principles into the design, development, and operation of cyber-physical systems (CPS) to mitigate or eliminate the impact of cyber-enabled attacks. In July 2024, Idaho National Laboratory (INL) engaged MITRE researchers to investigate methods for systematically measuring the benefits of CIE implementation. This included evaluating the success and outcomes of CIE, identifying and quantifying the value of early adoption, and determining the business justification for its implementation, especially in existing infrastructure. MITRE reviewed existing methods in engineering and cybersecurity to understand how organizations prioritize security investments, considering their strengths, weaknesses, and relevance to CIE stakeholders. Based on this analysis, MITRE proposed potential approaches for quantifying CIE benefits and provided recommendations for INL's consideration.

42 ENGINEERING↗

COMSOL Results for the Nominal Steady-State Operation of the Proposed 95-MW LEU Silicide Core for HFIR Conversion

Engineering design studies are being performed to determine the feasibility of converting the High Flux Isotope Reactor (HFIR) from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel at Oak Ridge National Laboratory. This activity is sponsored by the Office of Reactor Conversion and Uranium Supply (ORCUS) under the auspices of the US Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization. HFIR is a very high flux, pressurized, light water–cooled and moderated, flux trap–type research reactor with a core made of involute shaped U 3 O 8 /Al cermet fuel plates and coolant channels. HFIR currently operates at a thermal power of 85 MW and supports key national and international missions in neutron scattering, isotope production, materials/fuels irradiation, neutron activation analysis, gamma irradiation, and neutrino research. Advanced multiphysics computational fluid dynamics models have been developed in the COMSOL Multiphysics software to simulate the steady-state operating conditions for the proposed low-and high-density LEU U 3 Si 2 -Al (uranium silicide dispersion) fuel designs. The COMSOL models for HFIR inner and outer fuel element models incorporate various essential inputs and physics such as spatially dependent nuclear heat deposition, multilayer heat conduction, conjugate heat transfer, turbulent flows (using Reynolds-averaged Navier Stokes turbulence models), structural mechanics (thermal–structural interactions and fuel swelling), and oxide layer build-up. This report presents the best-estimate thermal hydraulics results for the low- and high-density optimized silicide LEU core designs at 95 MW steady-state nominal operation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Artificial Intelligence and Machine Learning for Bioenergy Research: Opportunities and Challenges

The integration of artificial intelligence and machine learning (AI/ML) with automated experimentation, genomics, biosystems design, and bioprocessing technologies is poised to revolutionize scientific investigation and, particularly, bioenergy research. To identify the opportunities and challenges in this emerging research area, the U.S. Department of Energy’s (DOE) Biological and Environmental Research program (BER) and Bioenergy Technologies Office (BETO) held a joint virtual workshop on AI/ML for Bioenergy Research (AMBER) on August 23–25, 2022. These interests have since been amplified in a September 2022 Executive Order, “Advancing Biotechnology and Biomanufacturing Innovation for a Sustainable, Safe, and Secure U.S. Bioeconomy,” to promote a whole-of government approach to biotechnology development (White House 2022). Approximately 50 scientists with various backgrounds and expertise from academia, industry, and DOE national laboratories met to discuss the opportunities and challenges of AI/ML for bioenergy research. Workshop participants were tasked with assessing the potential for AI/ML and laboratory automation to advance biological understanding and engineering in general. They particularly examined how integrating AI/ML tools with laboratory automation could accelerate biosystems design and optimize biomanufacturing. Discussions included the data and computational infrastructure needed to augment biosystems design applications and the expertise and workforce development efforts urgently required to shift integrated systems toward bioenergy research more broadly. Participants discussed many existing and future applications of AI/ML for biosystems design ranging from enzymes to plants and microbes, microbiomes, and bioprocess development. They also identified three key categories of scientific and technical opportunities and challenges: high-quality data, AI/ML algorithms, and laboratory automation. Several main takeaways emerged from the workshop: 1. Numerous AI/ML and automated experimentation applications exist for a variety of DOE mission needs in energy and the environment; 2. Exemplary research grand challenges for which AI/ML could provide solutions include: building microbes and microbial communities to specifications, developing closed-loop autonomous design and control for biosystems design, and advancing scale-up and automation; 3. Lack of sufficient high-quality, annotated data hinders the development of AI/ML applications; 4. New and improved AI/ML tools are needed, particularly those meeting the specific needs of the BER and BETO research communities; 5. Trade-offs in performance, cost, and reliability exist between deploying commercially available versus building custom-developed instrumentation and software for automated or autonomous experimentation; translation of manual to automated or autonomous methods is often a nontrivial endeavor; 6. Training a new generation of young scientists who can develop and apply AI/ML tools is needed to solve long-standing scientific challenges in bioenergy research. The integration of AI/ML tools and automated experimentation represents a new data-driven research paradigm complementary to the traditional hypothesis-driven research paradigm. This paradigm accelerates design and optimization of biological systems and processes for a variety of DOE mission needs in energy and the environment. The AMBER workshop broadly explored the potential of this new paradigm for bioenergy research, of particular interest to BER and BETO, and identified key challenges and opportunities that DOE can address in the coming years by leveraging its unique capabilities and resources.

59 BASIC BIOLOGICAL SCIENCES↗

Verifying the Computational Integrity of Power Grid Controls with Zero-Knowledge Proof

The control of future power grids is migrating from a centralized to a distributed/decentralized scheme to enable a massive penetration of distributed energy resources with rising dependence on communication infrastructure. A common assumption made for most existing distributed/decentralized controllers is that local controllers would faithfully follow the designated controller dynamics based on the data received from communication channels. However, with increased probability of cyberattacks on Operational Technology infrastructure, such an assumption could be risky because proper execution of the controller dynamics is then built on trust in secure communication and computation. In this work, we leverage a cryptography technology known as zero-knowledge scalable transparent arguments of knowledge (zk-STARK) to verify the computational integrity of power grid control algorithms, with projected linear dynamics-based control schemes as the initial proof-of-concept test case. The method presented here converts the cybersecurity challenge of data integrity for grid control into a subset of computational integrity.

computational integrity↗

Trust-but-Verify in Cyber-Physical Systems

Cyber-physical systems span a wide spectrum, from long-lived legacy systems to more modern installations. Trust is an issue that arises across the spectrum, albeit with different variants of goals and constraints. On the one end of the spectrum, legacy systems are characterized by function-based designs in which trust is an implicitly in-built concept -- the operation is historically designed, implemented, and optimized in a benign stance with respect to intended use. On the other end of the spectrum, modern systems are characterized by offerings from manufacturers, vendors, and system installers -- the devices and deployments use a variety of security features that offer promises of increased trust. All along this spectrum of cyber-physical systems, extending trust beyond the traditional cyber portions to the arteries that connect the physical portions to the cyber portions is a major challenge. Here, we identify a Trust-but-Verify approach that spans this spectrum in addressing trust.

Perumalla, Kalyan↗

Wind Turbine Airfoil Design Tools

SAND2025-11738O Wind Turbine Airfoil Design Tools is a software tool that connects existing open-source airfoil analysis tools with optimization software to produce modern airfoil design for wind turbine applications. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Maniaci, David↗

Development of a Solar Heat and Power Co-Generation System. Final Report, CRADA No. TC02152.0

Final Report, CRADA No. TC02152.0. Date Technical Work Ended: October 28, 2013. This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Tassajara Technologies, Inc. (TTI), to develop, fabricate and demonstrate a Solar Heat and Power Co-generation System. The technical objectives of this CRADA were to engineer, design and build a prototype Solar Thermal Process Heat and Power Demonstration System that would be suitable for use at the Arc of Hilo food processing facility. This would be accomplished in two phases. The first phase would entail the building of a prototype at Tassajara facilities. Base design parameters, including the subsystem interactions that would produce reliable performance at the lowest cost per watt of energy generated with the desired balance of power and heat to meet the requirements of the designated food processing applications from Arc of Hilo, would be provided by LLNL. The data and design development would be integrated into the second phase engine prototype and solar thermal system that would be built and delivered, with interface requirements to the Miko Building. This project was originally designated as an eight (8) month project. However, it was ultimately extended by an additional thirty-five (35) months, for total project duration of forty-three (43) months.

14 SOLAR ENERGY↗

Development of a Solar Heat and Power Co-Generation System. Final CRADA Report

Final Report CRADA No. TC02152.0 Date Technical Work Ended: October 28, 2013. This was a collaborative effort between Lawrence Livermore National Security, LLC as manager and operator of Lawrence Livermore National Laboratory (LLNL) and Tassajara Technologies, Inc. (TTI), to develop, fabricate and demonstrate a Solar Heat and Power Co-generation System. The technical objectives of this CRADA were to engineer, design and build a prototype Solar Thermal Process Heat and Power Demonstration System that would be suitable for use at the Arc of Hilo food processing facility. This would be accomplished in two phases. The first phase would entail the building of a prototype at Tassajara facilities. Base design parameters, including the subsystem interactions that would produce reliable performance at the lowest cost per watt of energy generated with the desired balance of power and heat to meet the requirements of the designated food processing applications from Arc of Hilo, would be provided by LLNL. The data and design development would be integrated into the second phase engine prototype and solar thermal system that would be built and delivered, with interface requirements to the Miko Building.

14 SOLAR ENERGY↗

Mnemosyne

SAND2024-08570O Mnemosyne is an interactive tool for finding, retrieving, and exploring information about U.S. nuclear tests documented in the National Nuclear Security Administration’s NV-209 report. It also acts as an information architecture and codebase for integrating additional information and computational tools related to these tests at the unclassified and classified levels. Users can search by any number of nuclear test attributes—name, yield range, altitude ranges, purpose of a test—and find all matching tests. Users can also retrieve specific test information published in NV-209. The tool displays geospatial and topological data about test location, and it provides an information architecture for storing additional contextual material, such as photographs. Mnemosyne provides a capability of interfacing with HYCHEM, Sandia's nuclear detonation optical waveform tool. The software is designed for use by government, academia, military, and research institutions. The software will likely be advanced to integrate seismic data and the nuclear detonation optical signal simulation code radCTH. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Fisher, Dustin↗

Measuring the robustness of predictive probability for early stopping in two-group comparisons

We report physical experiments are often expensive and time-consuming. Test engineers must certify the compatibility of aircraft and their weapon systems before they can be deployed in the field, but the testing required is time consuming, expensive, and resource limited. Adopting Bayesian adaptive designs is a promising way to borrow from the successes seen in the clinical trials domain. The use of predictive probability (PP) to stop testing early and make faster decisions is particularly appealing given the aforementioned constraints. Given the high-consequence nature of the tests performed in the national security space, a strong understanding of new methods is required before being deployed. Although PP has been thoroughly studied for binary data, there is less work with continuous data, where many reliability studies are interested in certifying the specification limits of components. A simulation study evaluating the robustness of this approach indicates early stopping based on PP is reasonably robust to minor assumption violations, especially when only a few interim analyses are conducted. The simulation study also compares PP to conditional power, showing its relative strengths and weaknesses. A post-hoc analysis exploring whether release requirements of a weapon system from an aircraft are within specification with desired reliability resulted in stopping the experiment early and saving 33% of the experimental runs.

97 MATHEMATICS AND COMPUTING↗