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DOE OSTI2024

Data-Informed Evaluation Framework for Integrated Energy Systems: Insights from Power, Process Heat, and Hydrogen Production Applications

The multi-criteria decision analysis (MCDA) framework provides a systematic evaluation of the diverse preferences and performance metrics associated with alternative solutions. This approach is advantageous over a single-criterion methodology, which are only valid under conditions that assume ceteris paribus or an "apples-to-apples" comparison. However, selecting suitable technologies for integrated energy systems (IES) can be likened to an "apples-to-oranges" comparison, given the heterogeneous factors at stake. These factors include economics and performance parameters, geological compatibility, and environmental impacts. Consequently, past research has often employed a mixture of qualitative and quantitative criteria tailored to the specific interests of each study. While the method proves effective in handling the intricate interplay of criteria, the resulting rankings and scores can vary from study to study. This inconsistency is introduced from the use of subjectively defined thresholds and weights. As a result, decision-makers frequently find it challenging to establish clear connections between specific criteria and the resulting scores, as the transformation of criteria into ordinal scores results in a substantial loss of information. To address this challenge, we introduce a data-informed IES evaluation framework that offers comprehensive, interpretable, and traceable evaluations backed by quantifiable rationale. First, we identified key IES evaluation criteria from a decade of literature, focusing on relevant IES applications in power, process heat, and hydrogen production. We leveraged state-of-the-art cost estimates from the Idaho National Laboratory (INL) and technical data from 78 reactor designs from the International Atomic Energy Agency (IAEA) and the Organization for Economic Co-operation and Development - Nuclear Energy Agency (OECD-NEA). Lastly, we established thresholds by analyzing the mean, variance, root mean square, and slope of values across alternatives, categorizing the preferences of decision-makers into distinct utility functions, such as linear, saturating, exponential, and stepwise. Our approach yielded two main outcomes: (1) it provided consistent assessments across different stakeholder groups and (2) it visualized uncertainties in the decision-making context via comprehensive sensitivity analysis. To demonstrate the impact of our framework, we conducted case studies on 6 reactor designs (AP1000, NuScale, BWRX-300, Xe-100, eVinci, iMSR) for the three applications. Our data-driven framework proved to be highly effective in addressing heterogenous uncertainties faced by varied decision-makers? preferences and IES applications, as well as cost and technical estimates of advanced reactors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Fundamental Research Aimed at Diverting Excess Reducing Power in Photosynthesis to Orthogonal Metabolic Pathways

Photosystems are incredible biological machines that use sunlight to drive the conversion of carbon dioxide to sugar. The amount of sunlight available for photosynthesis sometimes exceeds the amount of energy plants can use. This excess energy has to be safely dissipated through non-productive biological processes. The ultimate goal of this project is to understand whether we can utilize that otherwise unused excess energy. In our previous work, we showed that, in principle, it is possible to attach a catalyst to photosystem I and generate H2 using light. Our current strategy is to genetically fuse parts of the photosystem I complex with a recently discovered oxygen-tolerant [FeFe] hydrogenase. Our rationale is that such chimeric proteins may potentially result in the natural incorporation of the photosystem I-hydrogenase link using the inherent genetic machinery of the cell. In this project, we aim to verify that light-driven hydrogen production in this construction is possible. Throughout the project, we designed nanoconstructs that showcase the plausibility of this technology, at least in vitro. We take advantage of these constructs to investigate details of the coupling between photosystem I and a H2-producing enzyme called [FeFe] hydrogenase. This part of the project reveals details of the electron transfer between photosystem I and the attached hydrogenase, providing information that can lead to new strategies for improved biological photocatalysis. We also researched efficient and robust tethering of the [FeFe] hydrogenase to photosystem I in cyanobacteria. This work will highlight successful design strategies to guide the future development of photosynthetic biohybrids. Uncovering the principles governing the utilization of otherwise unusable energy significantly further our understanding of cyanobacterial photosynthesis. The work proposed establishes the feasibility of diverting excess energy under high light conditions to orthogonal enzymatic pathways and set design rules for efficient utilization of such a strategy for scientific and industrial applications in biosensing, renewable energy, and high-value chemicals production. The work addresses the DOE-BES Photosynthetic Systems program goal to develop a multidimensional understanding of photosystems that would provide specific metrics that instruct strategies for improving biological photosynthesis and for guiding the future development of bioreactors and biomimetic energy systems.

Photosynthetic systems, hydrogenase, cyanobacteria↗

DOE OSTI2020

VALVE TIMING AND AREA PROFILE SELECTION FOR HYDRAULIC PUMPS AND MOTORS

A significant amount of research has been conducted to select valve timing and area profiles that create efficient and quiet hydraulic pumps and motors. Numerous active valve architectures have been modeled and optimized, but the rationale for the final solution is often unclear. The solution is usually highly dependent on the modeled valve geometry constraints and the duty cycle of the pump or motor for which the valve was optimized. This paper first presents an ideal valve area profile and what compromises are made to design for a working pressure and speed range. The ideal valve area profile is resolved using a piston-cylinder model with a pressure dependent bulk modulus and variable valve openings. The piston-cylinder is first modeled as a pump with passive (check) valves and a specified pressure drop across the valves to determine the ideal area profile. A generalization of the ideal timing is demonstrated for positive pressure differential and positive rotation direction, also known as the first quadrant. The effects on valve timing when varying pressure are shown for the first quadrant, but the trends can be extrapolated for all quadrants of operation. The ideal valve profile is implemented as fixed valve timing, meaning the valve area is only a function of the timing angle, in a pump-motor. The pump-motor is simulated in one rotation direction through a pressure range. Performance is high in pumping operation, but when the pressure differential is reversed, cylinder pressure spikes ensue. Two strategies to modify an ideal valve area profile are presented: timing grooves and a pressure shifted valve timing. Timing grooves reduce pressure spikes and cavitation in the cylinder but generally increase throttling losses. A pressure shifted valve timing has lower throttling energy losses, making it the favored solution.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Structural insights into isoform-specific RAS-PI3Kα interactions and the role of RAS in PI3Kα activation

Abstract Mutations in RAS and PI3Kα are major drivers of human cancer. Their interaction plays a crucial role in activating PI3Kα and amplifying the PI3K-AKT-mTOR pathway. Disrupting RAS-PI3Kα interaction enhances survival in lung and skin cancer models and reduces tumor growth and angiogenesis, although the structural details of this interaction remain unclear. Here, we present structures of KRAS, RRAS2, and MRAS bound to the catalytic subunit (p110α) of PI3Kα, elucidating the interaction interfaces and local conformational changes upon complex formation. Structural and mutational analyses highlighted key residues in RAS and PI3Kα impacting binding affinity and revealed isoform-specific differences at the interaction interface in RAS and PI3K isoforms, providing a rationale for their differential affinities. Notably, in the RAS-p110α complex structures, RAS interaction with p110α is limited to the RAS-binding domain and does not involve the kinase domain. This study underscores the pivotal role of the RAS-PI3Kα interaction in PI3Kα activation and provides a blueprint for designing PI3Kα isoform-specific inhibitors to disrupt this interaction.

Science & Technology - Other Topics↗

DOE OSTI2021

Occupancy-Driven Stochastic Decision Framework for Ranking Commercial Building Loads

For effective integration of building operations into the evolving demand response programs of the power grid, real-time decisions concerning the use of building appliances for grid services must excel on multiple criteria, ranging from the added value to occupants' comfort to the quality of the grid services. In this paper, we present a data-driven stochastic decision-support framework to dynamically rank load control alternatives in a commercial building, addressing the needs of multiple decision criteria (e.g. occupant comfort, grid service quality) under uncertainties in occupancy patterns. We adopt a stochastic multi-criteria decision algorithm recently applied to prioritize residential on/off loads, and extend it to i) consider complex load control decisions (e.g. dimming of lights, changing zone temperature set-points) in a commercial building; and ii) systematically integrate zonal occupancy patterns to better identify short-term (and time-varying) opportunities for grid service participation. We evaluate the performance of the proposed framework for curtailment of air-conditioning, lighting, and plug-loads in a multi-zone commercial office building for a range of design choices. With the help of a prototype system that integrates an interactive \textit{Data Analytics and Visualization} frontend we demonstrate a way for the building operators to monitor and change in real-time the available flexibility in energy consumption and to develop trust in the decision recommendations by interpreting the rationale behind the ranking.

Jain, Milan↗

DOE OSTI2024

Critical Role of Framework Flexibility and Disorder in Driving High Ionic Conductivity in LiNbOCl 4

Understanding Li-ion transport is key for the rational design of superionic solid electrolytes with exceptional ionic conductivities. LiNbOCl 4 is reported to be one of the most highly conducting materials in the recently realized new class of soft oxyhalide solid electrolytes, exhibiting an ionic conductivity of ~11 mS·cm -1 . Here, we apply X-ray/neutron diffraction and pair distribution function analysis - coupled with density functional theory/ab-initio molecular dynamics - to determine a structural model that provides a rationale for the high conductivity that we observe experimentally in this nanocrystalline solid. We show that it arises from unusually high framework flexibility at room temperature. This owes to isolated 1-D [NbOCl 4 ] - anionic chains which exhibit energetically favorable orientational disorder that is - in turn - correlated to multiple, disordered and equi-energetic Li + sites in the lattice. As the Li-ions sample the 3-D energy landscape with a fast predicted diffusion coefficient of 5.1 x 10 -7 cm 2 /s at room temperature (σ i calc = 17.4 mS·cm -1 ), the inorganic polymer chains can reorient or vice versa. The activation energy barrier for Li migration through the frustrated energy landscape is especially reduced by the elastic nature of the NbO 2 Cl 4 octahedra evident from very widely dispersed Cl-Nb-Cl bond angles in AIMD snapshots at 300 K. The phonon spectra are predominantly influenced by Cl vibrations in the low energy range, and there is strong overlap between the framework (Cl, Nb) and Li partial pDOS in the region between 1.2 - 4.0 THz. The framework flexibility is also reflected in a relatively low bulk modulus of 22 GPa. In conclusion, our findings pave the way for investigation of future “flex-ion” inorganic solids and open up a new direction for the design of high conductivity, soft solid electrolytes for all-solid-state batteries.

AIMD↗

DOE OSTI2022

Net-zero Microgrid Program Report: Microrred de la Montaña Feasibility Study (Executive Summary Extended)

This feasibility study provides the technical and economic rationale for the Microrred de la Montaña as a viable solution for supplying reliable and resilient electricity to an underserved region in Puerto Rico – a region that is the first to be disconnected from the grid and the last to be restored, enduring months long outages. It begins the process of the development of the microgrid through conceptual design, engineering, detailed electrical design, implementation, and operation. The Microrred de la Montaña is organized under the governance of the Cooperativa Hidroeléctrica de la Montaña (Cooperativa) which has legal status as a cooperative and power provider under the laws of Puerto Rico. The members are the municipalities of Adjuntas, Jayuya, Lares and Utuado with a combined population of 90,000. These municipalities are in central Puerto Rico – a mountainous region that is extremely vulnerable to weather events and excessive, long-duration power outages and are among the poorest and most disadvantaged regions in Puerto Rico. Funding from external sources is necessary to acquire the resources for a resilient power delivery system. Regulatory support is necessary to establish operational relationships with the incumbent power providers. The Microrred de la Montaña is envisioned as a resilient microgrid that manages distributed energy resources – local solar, storage, and hydroelectricity over an upgraded distribution network within the boundaries of four municipalities. This feasibility study provides the results of an extensive techno-economic analysis to form a sound basis for decision-making by community leaders, their constituents, funding and investment agencies, and regulators to realize the benefits that are achievable by fully implementing the design and planning recommended for the Microrred de la Montaña.

13 HYDRO ENERGY↗

DOE OSTI2020

Cobalt-Group 13 Complexes Catalyze CO 2 Hydrogenation via a Co(-I)/Co(I) Redox Cycle

The Co(-I) dihydrogen complexes, [(η 2 -H 2 )CoML]-, where ML is the group 13 metalloligand, N(o-(NCH 2 PiPr 2 )C 6 H 4 ) 3 M, and M is Al, Ga, or In, were previously reported ( J. Am. Chem. Soc. 2017, 139, 6570-6573). In this work, the related Co(-I) end-on dinitrogen adducts, [(N 2 )CoML]-, were isolated and investigated as precatalysts for CO 2 hydrogenation. The Co–Ga catalyst was highly active, achieving 19,200 formate turnovers with an initial turnover frequency of 27,000 h –1 under 34 atm of 1:1 CO 2 /H 2 and using Verkade’s proazaphosphatrane as a base at ambient temperature. The Co–Al catalyst was moderately active, while the Co–In complex was inactive. Hence, tuning the group 13 ion greatly influences the catalytic activity at the Co site. To elucidate the role of the group 13 support, experimental and theoretical mechanistic studies of the Co–Ga and Co–Al catalysts were conducted. The Co(-I) H 2 species are potent hydride donors with estimated thermodynamic hydricities (ΔG° H– ) of 32.0(1) and 37.4(1) kcal/mol in CH 3 CN for M = Al and Ga, respectively. By acting as masked Co(I) dihydrides, the Co(-I) H 2 species operate via an unusual Co(-I)/Co(I) redox cycle. After hydride transfer to CO 2 , the resulting intermediate is the Co(I) hydride complex, HCoML, which was independently synthesized and structurally characterized for M = Al and Ga. The Gibbs free energy for H 2 binding, ΔG° bind (1 atm), to generate (η 2 -H 2 )HCoML was slightly more favorable for HCoGaL (-4.2(1) kcal/mol) than for HCoAlL (-2.7(1) kcal/mol). In the subsequent step, the deprotonation reaction to regenerate the initial catalyst was much more favorable for (η 2 -H 2 )HCoGaL (pK a of 31.4, CH 3 CN) than for (η 2 -H 2 )HCoAlL (pK a of 34.3). Finally, the straightforward substitution of Al with Ga perturbs the energy profile of the catalytic reaction (|ΔΔG° H– | = 5.4 kcal/mol, |ΔΔG° bind | = 1.5 kcal/mol, and |ΔΔG° K a | = 4.0 kcal/mol) and thus provides a thermodynamic rationale for the higher catalytic efficiency of Co–Ga over Co–Al.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Implementation and Demonstration of the Digital Twin Certification System Remote Operations Framework

Microreactors are one promising advanced-reactor concept being pursued by the nuclear industry. They are distinguished by a relatively low power output of 20 MWth or less. These microreactors are intended for deployment in applications where conventional small-capacity power solutions, such as diesel generators, are either economically unfeasible or logistically challenging. Such applications include providing electric power and/or heat for remote communities, mining sites, defense installations, and humanitarian and disaster-relief missions. An important feature for the successful deployment of microreactors is their capability to be operated remotely. This capability can significantly reduce staffing costs by eliminating the need for licensed operators to be physically present at each reactor site. Instead, operators can be centralized in a single remote operations center placed in an economically advantageous location, thereby optimizing resources by consolidating expertise and enhancing operational efficiency. However, the implementation of a remote operation system for nuclear reactors raises new concerns regarding the security, reliability, and resilience of such a system. One way in which remote operations can be supported in a manner that maintains system security, reliability, and resilience is through the use of digital twins in a novel framework designed to verify and validate sensor data and commands communicated between the remote operations center and reactor. This framework, known as the Digital Twin Certification System (DTCS), has previously been proposed as an operations architecture that can bring security and resiliency levels of remote nuclear-reactor operations to a level acceptable for commercial deployment. This paper moves the proposed DTCS architecture from concept to reality by presenting the implementation and testing of the system. The rationale and implementation of the DTCS using tools such as DeepLynx and Apache Airflow, is covered in-depth. This is followed by a demonstration of the DTCS by applying the implemented system architecture to the Single Primary Heat Extraction and Removal Emulator, a small-scale non-nuclear test bed that emulates thermal behavior of a microreactor. The demonstration includes both normal and abnormal operating scenarios to highlight how the DTCS can increase the security, reliability, and resilience of a remote operations system.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Implementation and Demonstration of the Digital Twin Certification System Remote Operations Framework

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2021

The evolving role of geothermal energy for decarbonizing the United States

Geothermal energy is often referred to as a niche technology that is too localized, too small or too expensive to make much of a difference in how renewable energy will be supplied in a fully decarbonized future. As a result, geothermal energy has been undervalued in terms of what it could provide to complement, rather than compete with, electricity generation from wind, solar photovoltaic, concentrating solar power and other renewables. Geothermal energy systems are fully dispatchable and can provide baseload or load-following electric power or heat suitable for a wide range of applications including supplying district heating for communities and cities, and heating and cooling of individual buildings. The focus of our study is on the potential of utilizing geothermal energy for providing heat for buildings and industry at lower temperatures, a substitute for the combustion of fossil fuels. Because heating represents about 20% (20 EJ per year) of the annual primary energy consumption in the U.S.—with most of it coming from burning natural gas, oil and/or propane in furnaces—deploying geothermal heating on a national scale could have a significant impact on lowering carbon emissions. In heating-dominated states in the U.S. Northern Tier, heating often is among the largest contributors to the state's carbon footprint. This review begins with a discussion of the motivation and rationale behind considering geothermal as a key low-carbon heating option for the U.S. The study summarizes the U.S. geothermal resource and describes the applications and main engineering components of using geothermal energy for heating and cooling, electric power generation, and co-generation using district heating, geothermal heat pumps, and power conversion with steam flashing and organic Rankine plants. Environmental benefits and impacts are described. An extensive discussion of geologic and thermal-hydraulic aspects of the subsurface is included in the review because of their critical role in determining reservoir designs at specific sites to ensure sufficient productivity that is both safe and economically viable. Models for estimating levelized costs of district heating are used to show how costs are affected by reservoir performance, infrastructure capital costs, and financial parameters. Here, the review concludes with an assessment of technical subsurface issues associated with reservoir performance and the economic requirements for providing geothermal heating in district heating systems at a sufficient scale to have an impact on decarbonizing the U.S.

15 GEOTHERMAL ENERGY↗

DOE OSTI2022

Allocation Mechanisms in Rationed Markets

Economic theory has come to play an important role in power system operations through the design of wholesale markets that are central to their operation. Furthermore, transactive energy places economic theory as a cornerstone in its operational concept as it seeks to integrate the technical needs of the power system with the preferences of its participants. Traditionally the mechanism employed is the continuous double-auction but de-pending on the circumstances the power system find itself in, this mechanism may or may not be the most appropriate, i.e. a one-size fits all market institution cannot be recommended without regard for the features of the underlying trading environment. This paper seeks to explain the economic rationale that guides the choice of a market institution and takes recourse to a theoretical demonstration in the context of a rationed power system scenario where demand exceeds generation (due to any number of events such as outages, microgrid operation, etc) and electrical energy must be rationed to better understand which types of mechanisms are most appropriate.

transactive energy, power system economics, econom↗

DOE OSTI2022

Operation Upshot-Knothole

A thundering boom and sheet of fire announced a dramatic, once in a lifetime event – the firing of a nuclear projectile from a 280 mm cannon. Travelling seven miles downrange, the projectile detonated 500 feet over the Nevada Test Site’s Frenchman Flat with a force of fifteen kilotons. Although the test was successful, the massive cannon, designed for tactical battlefield use, had a critical flaw. It was too large and cumbersome for mobile combat. The cannon test, codenamed Grable, was part of Operation Upshot-Knothole, the fourth test series conducted in Nevada. Beginning with the Annie test on March 17, 1953, and concluding with the Climax test on June 4th, the Operation consisted of three airdrops, seven tower detonations, and the one artillery shot. As with previous Nevada tests, the demarcation between the weapon development series, Upshot, and the DOD effects tests, Knothole, was blurred. All eleven tests generated data in support of weapon development as well as tactical battlefield applications. During Upshot-Knothole, the University of California Radiation Laboratory (UCRL), conducted its first ever tests, Ruth and Ray. Although neither test was successful, these failures, along with another a year later at Operation Castle, provided the new laboratory with design data leading to future successful tests. The Federal Civil Defense Administration (FCDA) participated in a test series with the general goal of preparing for societal recovery from a nuclear attack. Known as Operation Doorstep, the FCDA’s experiments evaluated the effects of a nuclear attack on food supplies, housing and urban structures, and even a copse of trees transplanted from nearby Mt. Charleston. A contingent of the press witnessed test Annie from an outcropping of rocks, subsequently named News Nob. The presence of the news media, along with the FCDA’s participation, marked a fundamental change in the Nevada test program - a change that that now included the general populace, whose survival was, of course, the rationale for testing. The Department of Defense continued and expanded its Desert Rock exercises of troop exercises, helicopter operations, and evaluation of blast damage to military aircraft, tanks, and guns. Annie, Nancy, Badger, Simon, Encore, and Grable involved larger numbers of personnel than the other five shots. Below is an edited and condensed account of Desert Rock activities compiled by the Defense Threat Reduction Agency.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2022

Code of Record: DOE Standard Canister (DOESC)

The United States Department of Energy (DOE) Spent Nuclear Fuel (SNF) Packaging Demonstration seeks to develop and demonstrate the designs, technology, processes, and regulatory framework for packaging DOE SNF for road-ready dry storage (RRDS); and establish the processes that will be used in a future production facility. The Packaging Demonstration will utilize the DOE Standard Canister (DOESC) for packaging select DOE-managed SNF types for interim storage, transportation and disposal as part of RRDS. Placing DOE-managed SNF into RRDS is part of the strategic framework for SNF on the Idaho National Laboratory (INL) site. To comply with DOE, INL and Nuclear Regulatory Commission (NRC) requirements, this Code of Record establishes the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section III, Division 3 as the Code that will govern DOESC and internal support structure constructioni, with certain clarifications. This Code of Record establishes a rationale for proceeding without construction certification of the DOESC (i.e., “N-stamping) and the extent to which a Registered Professional Engineer is required for the DOE Spent Fuel Packaging Demonstration. Given the (i) standard industry practice to pursue independent licensure of commercial storage casks and transportation packages by the NRC in lieu of ASME certification and (ii) guidance provided by 10 CFR 830, DOESC construction activities need not be certified (i.e., “stamped”) to the ASME BPVC. However, additional quality assurance requirements will apply as outlined in this Code of Record.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

R&D Needs for a US Fusion Magnet Base Program

Significant technology maturation efforts are underway by privately funded fusion startups with the goal to demonstrate mature HTS magnet technology. To support the private sector development effort and the DOE milestone based program, a U.S. Fusion Magnet Community Workshop was held on March 14-15, 2023 in Princeton, NJ. This was the first U.S. community workshop focused on fusion magnet technologies aimed at determining the structure and technical direction for a public program designed to complement the private fusion industry landscape. Based on the wide range of different contributions, a set of general themes and fusion magnet R&D needs were identified and discussed. Feedback received to the workshop charge questions highlighted critical magnet R&D gaps such as availability of existing large cable and coil test facilities, a magnet education program that can generate a trained and essential workforce by leveraging R&D capabilities of universities, U.S. national labs, and fusion industry. Other opportunities synergistic and complementary with high energy physics, high field magnets that are open for a broad range of science drivers. The defined R&D gaps underpin the need for a mid-term and long-term public program in fusion magnet development, which reflects the purpose of the workshop in developing the rationale and consent for such a base program. A self-consistent, fusion specific U.S. fusion magnet program will complement and de-risk fusion pilot plants (FPPs) of promising magnetic configurations developed by private companies on a timeline consistent with the NASEM report on bringing fusion to the U.S. grid. We describe the magnet challenges presented and R&D needs discussed in the workshop. In conclusion, these challenges and R&D needs provide focus for the development of U.S. mid-term and long term roadmaps on enabling HTS for high field fusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Constructing A New CHF Look-Up Table Based on the Domain Knowledge Informed Machine Learning Methodology

Accurate prediction of CHF under various fluid flow conditions continues to be required for design, operation and safety analysis of light water reactor rod bundles. Due to the lack of in-depth physical understanding as well as limited high-resolution data in the micro-scale flow and heat transfer, the existing models feature a sub-optimal uncertainty band. In this study, driven by the prior domain knowledge information obtained, an improved CHF look-up table is developed through unified machine learning algorithms for the vertical flow conditions within tube and annulus geometry. The Groeneveld 2006 look-up table is used as the domain knowledge to train machine learning process against tube and annulus CHF data for both DNB and DO type. The new look-up table shows improved accuracy for conditions relevant to PWRs and BWRs. In addition, its domain knowledge informed nature ensures that a rationale prediction can be made, thus accounting for previous valuable information in the machine learning model training process.

Jin, Yue↗

DOE OSTI2022

Identification of $\mathrm{IOMA}$-class neutralizing antibodies targeting the $\mathrm{CD4}$-binding site on the $\mathrm{HIV}$-1 envelope glycoprotein

A major goal of current HIV-1 vaccine design efforts is to induce broadly neutralizing antibodies (bNAbs). The VH1-2-derived bNAb IOMA directed to the CD4-binding site of the HIV-1 envelope glycoprotein is of interest because, unlike the better-known VH1-2-derived VRC01-class bNAbs, it does not require a rare short light chain complementarity-determining region 3 (CDRL3). Here, we describe three IOMA-class NAbs, ACS101-103, with up to 37% breadth, that share many characteristics with IOMA, including an average-length CDRL3. Cryo-electron microscopy revealed that ACS101 shares interactions with those observed with other VH1-2 and VH1-46-class bNAbs, but exhibits a unique binding mode to residues in loop D. Analysis of longitudinal sequences from the patient suggests that a transmitter/founder-virus lacking the N276 glycan might have initiated the development of these NAbs. Together these data strengthen the rationale for germline-targeting vaccination strategies to induce IOMA-class bNAbs and provide a wealth of sequence and structural information to support such strategies.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Virtual Self-Excited Induction Generator-Based Grid-Forming Inverter Control for Robust Voltage Regulation Under Nonideal Loading

This paper presents a generator-inspired control methodology for grid-forming (GFM) inverters that deliberately emulates a self-excited induction generator so that the inverter can hold its voltage and frequency under difficult loading and severe terminal disturbances across wide voltage and frequency ranges. The design integrates a Lyapunov energy function-based inner loop to provide high bandwidth and strong disturbance rejection, and it complements this with a passivity-based argument that furnishes a coherent large-signal stability guarantee beyond small-signal limits. Analytical insights are developed via the Krylov-Bogoliubov-Mitropolsky averaging method, which reveals an intrinsic resistive droop characteristic; these closed-form relations both explain the observed dynamics and yield simple, decentralized tuning rules. The methodology is validated on a controller-hardware-in-the-loop platform and exercised in real time across balanced, unbalanced, and nonlinear loads, as well as during parallel operation. Across these scenarios, the inverter maintains balanced three-phase voltages, limits harmonic content, settles quickly with well-damped transients, and remains resilient when multiple units operate in parallel. The contributions are a self-excited-machine-inspired GFM controller with enhanced dynamic performance and robustness, a single stability rationale grounded in passivity, closed-form expressions that guide tuning, and comprehensive hardware-in-the-loop validations demonstrating effectiveness and superiority under challenging operating conditions.

24 POWER TRANSMISSION AND DISTRIBUTION↗