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At least 91 records · Page 5

Data-Enabled Fusion Technology (Final Scientific/Technical Report)

Advancing Scientific Understanding in Fusion Energy and Machine Learning This research represented a significant step forward in machine learning (ML) applications for fusion energy experiments. The project integrated advanced data-driven modeling, optimization techniques, and artificial intelligence to enhance the predictive capabilities and operational efficiency of plasma-based fusion systems. Specifically, tasks focused on ML-enhanced diagnostics, operator guidance tools, and predictive modeling helped improve the ability to interpret complex fusion experiments. Key areas of advancement included: 1) data-driven plasma control, i.e., using ML algorithms to optimize experimental conditions and classify plasma behaviors based on historical data; 2) spectroscopy and diagnostics, i.e., applying AI models to extract previously inaccessible insights from experimental spectroscopy data; and 3) configuration mapping and operator guidance, i.e., developing a predictive framework to assist scientists in identifying the most effective experimental parameters, reducing reliance on manual adjustments. By refining these ML-driven techniques, the project contributed to the broader scientific community’s understanding of plasma dynamics and fusion energy viability. Technical Effectiveness and Economic Feasibility The methods investigated demonstrated high technical effectiveness, as reflected in milestones assessing the predictive accuracy, performance, and optimization of fusion configurations. The development of an Operator Guidance Tool (OGT), for example, led to more precise control of plasma conditions by learning from experimental data and offering real-time adjustments. From an economic standpoint, DeFT provided: 1) the ability to reduce trial-and-error experimentation, which lowered operational costs; 2) improved data interpretation methods, which enabled more efficient resource allocation in large-scale fusion research projects; and 3) the automation of key diagnostic tasks, which reduced manual labor and human error, increasing overall efficiency. 13 The final assessments of predictive models and optimization strategies demonstrated that these approaches were scalable and could be implemented across multiple fusion energy research programs. Public Benefit and Societal Impact This project contributed directly to the broader goal of achieving sustainable and commercially viable fusion energy, which had profound implications for clean energy production and climate change mitigation. The integration of AI-driven solutions into fusion research: 1) sped up scientific discovery, accelerating progress towards achieving energy breakthroughs; 2) reduced the cost of experimentation, making fusion research more accessible; and 3) provided a framework for future AI applications in high-energy physics, benefiting adjacent fields like space exploration, material science, and renewable energy. Additionally, by fostering collaborations between AI researchers and plasma physicists, this project promoted interdisciplinary innovation that could lead to broader applications beyond fusion research.

22 GENERAL STUDIES OF NUCLEAR REACTORS

Distributed optimization and control for autonomous distributed energy resource power dispatch and frequency regulation considering communication failures

Distributed energy resources (DERs) can significantly enhance grid flexibility by supplying power and secondary frequency regulation (SFR) services. Yet, their large number and dispersed nature limit the effectiveness of traditional centralized power dispatch and frequency control schemes, and expose the system to single-point communication failures. This paper presents a unified distributed optimization and control framework for DER power dispatch and SFR provision. A transmission-loss-aware distributed direct current optimal power flow is first formulated to optimize DER power dispatch and reserve scheduling. On top of this, a fully distributed control scheme for DER autonomous SFR provision is developed to allocate automatic generation control signals cost-effectively while ensuring robustness to communication link disruptions. The framework is validated on IEEE 14-bus and 39-bus transmission systems with large-scale distribution feeders using transmission-distribution dynamic co-simulation, demonstrating reliable and autonomous DER power dispatch and SFR provision under diverse operating conditions and communication contingencies.

24 POWER TRANSMISSION AND DISTRIBUTION

Greenhouse Gas Accounting Procedures in Low Carbon Fuel Policies Overlook the Spatial Variability of Miscanthus-Derived Sustainable Aviation Fuel

Low carbon fuel policies such as the U.S. Renewable Fuel Standard (RFS), Canada Clean Fuel Regulations (CFR), and California Low Carbon Fuel Standard (LCFS) as well as the 45Z tax credit are intended to reduce greenhouse gas (GHG) emissions from transportation. Cellulosic feedstocks, optimized biorefineries, and favorable farming locations can significantly reduce biofuel carbon intensity (CI). Despite advances in field-to-fuel GHG monitoring and flexibility in resource allocation within biorefineries (e.g., governing net electricity production), rigid CI accounting procedures in current policies may limit CI responsiveness across candidate sites and processing facilities. Here, this work examines a hypothetical biomass-to-sustainable aviation fuel (SAF) pathway using miscanthus and alcohol-to-jet (i) to demonstrate how GHG accounting requirements drive estimates of biofuel CIs and (ii) to explore potential CI and financial implications of scenario-specific life cycle assessment (LCA). Results demonstrate that GHG accounting using the CFR/LCFS can reasonably account for distinct levels of net electricity production by a biorefinery, but only the CFR yields similar CI sensitivity to spatially explicit factors (feedstock CI, grid electricity CI) as scenario-specific LCA: most GHG accounting frameworks do not capture CI variation across candidate sites in the United States. Ultimately, this work demonstrates the importance of LCA methodological specifications in low carbon fuel policies and tax credits.

29 ENERGY PLANNING, POLICY, AND ECONOMY

Bridging Control and Deployment: A Cross-Layer Analysis of Scalable Building Cluster Control

Building cluster control has emerged as a promising approach for enabling flexible and coordinated operation of distributed building systems, yet its transition from pilot demonstrations to routine grid-interactive operation remains limited. This paper argues that this gap cannot be explained by control algorithms alone. Instead, it arises from interacting barriers in communication infrastructure, data and semantic interoperability, uncertainty management, stakeholder participation, market design, and policy support. Accordingly, the paper reviews both technical and non-technical barriers to building cluster control. Technical challenges include heterogeneous devices and protocols, communication latency and reliability, distributed decision-making, and uncertainty propagation across aggregated loads. Non-technical barriers include user participation, stakeholder coordination, incentive allocation, and data governance. Existing solution approaches are synthesized, including semantic interoperability frameworks, edge and hierarchical communication architectures, distributed and transactive control strategies, uncertainty-aware optimization, policy mechanisms, and market reforms. Based on this analysis, two research directions are identified: testing infrastructures that can evaluate control performance under realistic multi-building conditions, and abstraction methods that allow building clusters to interact with other energy sectors through standardized flexibility representations. Overall, the paper provides a structured review of how building cluster control can move from isolated demonstrations toward reproducible, market-compatible, and grid-relevant implementation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Non-Destructive, Three-Dimensional Imaging of Processes in the Rhizosphere Utilizing High Energy Photons

Soil structure, which can be described as the aggregation and distribution of pore spaces, regulates carbon, nutrient, and water cycling across the Earth system. Yet the inability to make quantitative, dynamic, in situ measurements of soil structure and rhizosphere carbon flow has prevented meaningful incorporation of soil structural processes into Earth System Models (ESMs). The key limitations are: (i) Lack of scale integration between micron-scale soil structure and ecosystem-scale models, (ii) Poor functional linkage between soil structural properties and biogeochemical processes, and (iii) Absence of dynamic 3D measurements of rhizosphere structural changes and carbon transformations. To address these challenges, we developed a new integrated positron emission tomography (PET) - microcomputed tomography (CT) imaging platform that enables the first 4D (spatial 3D and time), non-invasive, quantitative imaging of carbon allocation and rhizosphere structural dynamics in living plants and intact soils. The system combines: • Rhizo-PET (R-PET): a high-resolution positron emission tomography scanner optimized for 11 CO 2 tracing in plant roots. • a-Se micro-CT: a high-contrast, high-spatial resolution CT system based on amorphous selenium (a-Se) direct conversion technology, enabling micron-scale visualization of soil structure and root–soil interfaces. Together, these advances allow us to quantify how carbon exudates move, transform, and stabilize within the rhizosphere, directly informing missing processes in BER-relevant carbon cycle models.

42 ENGINEERING

Portable, heterogeneous ensemble workflows at scale using libEnsemble

libEnsemble is a Python-based toolkit for running dynamic ensembles, developed as part of the DOE Exascale Computing Project. The toolkit utilizes a unique generator–simulator–allocator paradigm, where generators produce input for simulators, simulators evaluate those inputs, and allocators decide whether and when a simulator or generator should be called. The generator steers the ensemble based on simulation results. Generators may, for example, apply methods for numerical optimization, machine learning, or statistical calibration. libEnsemble communicates between a manager and workers. Flexibility is provided through multiple manager–worker communication substrates each of which has different benefits. These include Python’s multiprocessing, mpi4py, and TCP. Multisite ensembles are supported using Balsam or Globus Compute. We overview the unique characteristics of libEnsemble as well as current and potential interoperability with other packages in the workflow ecosystem. We highlight libEnsemble’s dynamic resource features: libEnsemble can detect system resources, such as available nodes, cores, and GPUs, and assign these in a portable way. These features allow users to specify the number of processors and GPUs required for each simulation; and resources will be automatically assigned on a wide range of systems, including Frontier, Aurora, and Perlmutter. Such ensembles can include multiple simulation types, some using GPUs and others using only CPUs, sharing nodes for maximum efficiency. We also describe the benefits of libEnsemble’s generator–simulator coupling, which easily exposes to the user the ability to cancel, and portably kill, running simulations based on models that are updated with intermediate simulation output. We demonstrate libEnsemble’s capabilities, scalability, and scientific impact via a Gaussian process surrogate training problem for the longitudinal density profile at the exit of a plasma accelerator stage. In conclusion, the study uses gpCAM for the surrogate model and employs either Wake-T or WarpX simulations, highlighting efficient use of resources that can easily extend to exascale.

Dynamic ensembles

A Digital Twin Framework for Liquid-cooled Supercomputers as Demonstrated at Exascale

We present ExaDigiT, an open-source framework for developing comprehensive digital twins of liquid-cooled supercomputers. It integrates three main modules: (1) a resource allocator and power simulator, (2) a transient thermo-fluidic cooling model, and (3) an augmented reality model of the supercomputer and central energy plant. The framework enables the study of "what-if" scenarios, system optimizations, and virtual prototyping of future systems. Using Frontier as a case study, we demonstrate the framework's capabilities by replaying six months of system telemetry for systematic verification and validation. Such a comprehensive analysis of a liquid-cooled exascale supercomputer is the first of its kind. ExaDigiT elucidates complex transient cooling system dynamics, runs synthetic or real workloads, and predicts energy losses due to rectification and voltage conversion. Throughout our paper, we present lessons learned to benefit HPC practitioners developing similar digital twins. We envision the digital twin will be a key enabler for sustainable, energy-efficient supercomputing.

Brewer, Wes

PET-FBA: A lightweight enzyme allocation and thermodynamics-constrained flux analysis approach to explore Escherichia coli metabolic adaptation to intracellular acidification

Escherichia coli employs diverse strategies to adapt to acidic environments that disrupt enzyme activity and the thermodynamic feasibility of essential reactions. To understand the impact of pH stress on cell metabolism, we present the PET-FBA (pH-, Enzyme protein allocation-, and Thermodynamics-constrained Flux Balance Analysis) framework. PET-FBA extends genome-scale modeling by integrating enzyme protein costs and reaction Gibbs free energy changes. Additionally, by incorporating pH-dependent enzyme kinetics in response to intracellular acidification, this framework enables the simulation of E. coli's metabolic adjustments across varying external pH levels. The model's accuracy is validated by comparing in silico growth simulations with experimental measurements under both anaerobic and aerobic conditions, as well as in silico gene knockouts of essential genes. By explicitly incorporating pH effects, our model accurately replicates the metabolic shift towards lactate production as the primary fermentation product at low pH in anaerobic conditions. This shift is only predicted when enzyme kinetics are dynamically adjusted as a function of pH. Further analysis revealed that this shift can be attributed to the reduced protein efficiency of the acetyl-CoA branch compared to lactate dehydrogenase under acidic stress, which then becomes crucial for maintaining NAD regeneration and cell growth at low pH. Furthermore, we identified strategies for enhancing cell growth under acidic anaerobic conditions by improving the enzyme activity of lactate dehydrogenase and pyruvate formate lyase, which increases NAD production efficiency and reduces enzyme protein allocation costs. Designed as a lightweight yet versatile framework, PET-FBA enables efficient genome-scale metabolic analysis. Using E. coli as a model system, our framework provides a systematic approach to understanding metabolic responses to environmental stress, pinpointing key metabolic bottlenecks, and identifying potential targets for strain optimization.

42 ENGINEERING

Exploring Enhanced Dominant Resource Fairness Using Linear Programming Calculated Weights

Maintaining resource fairness while achieving optimization for various performance metrics such as resource utilization, turnaround time and job latency is a well-known resource scheduling challenge in cloud computing. Despite the significant progress made with the introduction of dominant resource fairness by Ghodsi et al., which ensures major allocation properties such as sharing incentive, strategy-proofness, envy-freeness and Pareto efficiency to be achieved

Yan, Bo [Binghamton University]

Cooperation in Transmission Expansion Planning: Enhancing Grid Reliability and Efficiency Under a Changing Climate

Electricity grids are challenged to maintain reliability during more intense and frequent extreme weather events due to climate change. This challenge is exacerbated by multi-sector electrification and power sector decarbonization through increased reliance on variable renewable energy, which necessitates the expansion of transmission infrastructure. However, transmission expansion planning is often complicated by intertwined planning authorities and jurisdictions, and allocation of large capital investment needs. These factors cause authorities to manage transmission investments individually (i.e., only/mostly intraregional planning), which can lead to suboptimal transmission networks. This study investigates the potential benefits of cooperative transmission expansion planning (i.e., both intraregional and interregional planning that optimizes transmission investments across the entire physical system). Using sectoral and economic optimization, and machine learning models, it analyzes the impact of different levels of cooperation among transmission planning regions within U.S. Western Interconnection in 2019 and 2059 via an iterative investment process. Furthermore, it examines the effects of future climate change on transmission cooperation by simulating historical heat waves from 2019 under conditions of 2059. The results indicate that cooperative transmission planning leads to lower wholesale electricity prices, decreased energy outages, and reduced greenhouse gas emissions. However, the advantages of collaboration diminish during widespread heat waves, despite remaining beneficial especially for regions like California Independent System Operator with substantial solar installations. The study underscores the importance of transmission cooperation in reducing costs and enhancing reliability, emphasizing the need for strategic investments in storage to address challenges posed by future extreme weather events with varying spatial scales.

Capacity Expansion Model

A Benchmark Suite for Evaluating Scientific AI Workloads on GPUs

AI applications have been steadily increasing in the allocation portfolio among leadership computing facilities. These applications depend on deep learning frameworks with hardware acceleration and underlying software systems. With the rapid development of applications, software stacks, and hardware devices, it is essential to evaluate the performance of core operations in AI workloads for direction of optimizations and procurement of next-generation high-performance computing (HPC) infrastructures. Currently, most benchmarks lack scientific AI workloads. So, we present DeepKernelBench and the experimental results of evaluating the benchmark suite for early observations and performance comparisons on datacenter GPUs using representative workloads for scientific AI, including Attentions, General matrix multiplications, Geometrics and Fourier neural operations.

Jin, Zheming [Advanced Micro Devices (AMD)]

DISTRI: Distributed Multi-Facility HPC Simulator (DISTRI) v2.1

DISTRI is an advanced network simulator designed for multi-facility computational infrastructures with agentic behavior. It simulates HPC facilities where computational resources act as autonomous agents, making intelligent decisions about job scheduling, load balancing, and resource allocation. The simulator focuses on developing and testing decentralized algorithms that promote resilience and efficiency in multi-facility environments. Key Features: - Agentic Resource Behavior: Processors and DTNs act as autonomous agents with decision-making capabilities - Pheromone-Based Load Balancing: Decentralized load balancing inspired by ant colony optimization - Dual Topology Support: Mesh (normal operations) and Dumbell (network testing) topologies - Comprehensive TCP Simulation: Realistic TCP implementations with multiple congestion control algorithms - Failure Resilience Testing: Processor failure simulation with automatic job reassignment - Extensive Visualization: Detailed performance analysis and metrics collection - Research-Ready: Designed for algorithm development and benchmarking

Bez, Jean Luca [Lawrence Berkeley National Laborat

Tools And Methods to Analyze Plant Outage Schedule and Assist Schedulers in Improving Outage Resilience

Refueling outages of nuclear power plants (NPPs) are considered one of the most critical phases throughout the plant lifetime. In such instances, tens of thousands of activities (e.g., maintenance, surveillance) are performed in a short amount of time (typically 2-3 weeks unless major backfitting or modernization projects are carried out) by a large number of crews (e.g., electricians, mechanics) that are hired as contractors. As a consequence, a plant outage can be expensive not only in terms of costs (e.g., contractor labor, material), but also in terms of loss generation since the plant is taken off the grid during the full outage duration (an indicative metric is about 1.2M$/day of loss of revenue). Thus, there is a continuous need to decrease the economic impact of outages on plant finances. This can be done by: decreasing the frequency of plant outages (e.g., from 18 to 24 months), reducing the time to complete the outage, and reducing the risk of outage delays. The Optimization of Outage Activities project under the Risk Informed Systems Analysis Pathway (RISA) sponsored by Department of Energy (DOE) Light Water Reactor Sustainability (LWRS) Program focuses on developing tools and methods to support NPPs with outage schedule optimization. The developed tools and methods are designed to analyze plant outage schedule with the goal of identify critical elements in the schedule that might pose a high risk of delays. These methods and tools can be considered resource-centric in the sense that they address outage challenges as a resource optimization problem. In this context, resources are either time and crews; outage delays occurs when either (or both) resources are insufficient to complete the set of tasks assigned at a specific time instant of the outage. This report provides details on how plant resources (time and crews) can be allocated in such a way that delays are minimized. In this respect, two classes of methods have been developed: the first one focuses on the time resource and how variability of the time to complete outage tasks may impact outage delays. The second one integrates available resources to assess when dailies activities should be performed such that the risk of outage delays are minimized.

97 MATHEMATICS AND COMPUTING

Operational Simulation of Multi-Functional Charging Station for Sustainable Transportation

As transportation systems move toward electrification and decarbonization, multifunctional charging stations (MFCS) are emerging as key infrastructure for electric vehicles (EVs) and hydrogen fuel cell vehicles (HFCVs). This paper presents a simulation model of an MFCS that integrates solar photovoltaic (PV), wind power, battery storage, hydrogen (\mathrm{H}_{2}) production, dual-pressure \mathrm{H}_{2} storage, fuel cells, and dynamic grid interactions. The model simulates daily operations using 5 -minute resolution data to capture realtime variability in renewable energy (RE), demand, and electricity prices. A flexible dispatch algorithm dynamically allocates energy for EV charging, \mathrm{H}_{2} production, storage, and grid transactions while respecting system constraints. Results show that the MFCS effectively prioritizes RE usage, minimizes waste, meets diverse energy demands, and achieves net operational profit. The model serves as a valuable decision-support tool for designing and optimizing integrated clean energy hubs for zero-emission transportation.

Gbadegoye, Jeremiah [University of Tennessee, Knox

Assessing the Impact of Lubrication on Efficiency and Life Cycle Economics of the US Wind Turbine Fleet: Cooperative Research and Development (Final Report)

As with any mechanical system, lubrication plays a key role in the performance of wind turbines used to generate electricity. The lubricant design offers a way to optimize the competing requirements of efficiency, component reliability, and maintenance strategy. This project will estimate the impact of improved lubrication on the levelized cost of energy of the US wind turbine fleet as a means of identifying opportunities for disruptive innovation or system-level optimization. The models developed will provide a clear understanding of the benefits and potential for advanced lubrication of wind turbines. The project will enable identification of high value targets for wind turbine component suppliers and a roadmap that highlights where the greatest return on technology investment can be achieved. This will promote efficient resource allocation in areas of new technology development.

17 WIND ENERGY

Modulation of lignin and anthocyanin homeostasis by GTP cyclohydrolase1 in maize

Summary Maize is a key biomass resource with wide agricultural applications. Anthocyanins, potent antioxidants, offer health benefits like reducing oxidative stress. The biosynthesis of anthocyanins competes with that of lignin for shared metabolic precursors, which can lead to trade‐offs in plant growth and feed quality. Higher lignin content can decrease silage digestibility, posing challenges for livestock feed. The maizebrown midrib 6(bm6) mutant, known for reduced lignin, has an unclear genetic basis. Here, we identifyZmGCH1as the candidate gene forbm6through fine mapping. Mutations inZmGCH1shift precursors from lignin to anthocyanin biosynthesis. Furthermore, we show that ZmGCH1 interacts with ZmPEBP15 to modulate chalcone synthase activity, thereby stabilizing the allocation of precursors between lignin and anthocyanin pathways. To evaluate the practical implications of our findings, we introduced thebm6mutation into Zhengdan958 and Xianyu335. In vitro rumen digestion assays confirmed that the introduction of thebm6mutation significantly improved silage digestibility. This discovery not only holds great potential for enhancing silage digestibility but also provides a broader strategy for optimizing maize production to better meet the increasing demands of both the food and livestock feed.

Biotechnology & Applied Microbiology

The need for carbon-emissions-driven climate projections in CMIP7

Abstract. Previous phases of the Coupled Model Intercomparison Project (CMIP) have primarily focused on simulations driven by atmospheric concentrations of greenhouse gases (GHGs), for both idealized model experiments and climate projections of different emissions scenarios. We argue that although this approach was practical to allow parallel development of Earth system model simulations and detailed socioeconomic futures, carbon cycle uncertainty as represented by diverse, process-resolving Earth system models (ESMs) is not manifested in the scenario outcomes, thus omitting a dominant source of uncertainty in meeting the Paris Agreement. Mitigation policy is defined in terms of human activity (including emissions), with strategies varying in their timing of net-zero emissions, the balance of mitigation effort between short-lived and long-lived climate forcers, their reliance on land use strategy, and the extent and timing of carbon removals. To explore the response to these drivers, ESMs need to explicitly represent complete cycles of major GHGs, including natural processes and anthropogenic influences. Carbon removal and sequestration strategies, which rely on proposed human management of natural systems, are currently calculated in integrated assessment models (IAMs) during scenario development with only the net carbon emissions passed to the ESM. However, proper accounting of the coupled system impacts of and feedback on such interventions requires explicit process representation in ESMs to build self-consistent physical representations of their potential effectiveness and risks under climate change. We propose that CMIP7 efforts prioritize simulations driven by CO2 emissions from fossil fuel use and projected deployment of carbon dioxide removal technologies, as well as land use and management, using the process resolution allowed by state-of-the-art ESMs to resolve carbon–climate feedbacks. Post-CMIP7 ambitions should aim to incorporate modeling of non-CO2 GHGs (in particular, sources and sinks of methane and nitrous oxide) and process-based representation of carbon removal options. These developments will allow three primary benefits: (1) resources to be allocated to policy-relevant climate projections and better real-time information related to the detectability and verification of emissions reductions and their relationship to expected near-term climate impacts, (2) scenario modeling of the range of possible future climate states including Earth system processes and feedbacks that are increasingly well-represented in ESMs, and (3) optimal utilization of the strengths of ESMs in the wider context of climate modeling infrastructure (which includes simple climate models, machine learning approaches and kilometer-scale climate models).

54 ENVIRONMENTAL SCIENCES

Realistic Cost to Execute Practical Quantum Circuits using Direct Clifford+T Lattice Surgery Compilation

We report a resource estimation pipeline that explicitly compiles quantum circuits expressed using the Clifford+T gate set into a surface code lattice surgery instruction set. The cadence of magic state requests from the compiled circuit enables the optimization of magic state distillation and storage requirements in a post-hoc analysis. To compile logical circuits into lattice surgery operations, we build upon the open-source Lattice Surgery Compiler. The revised compiler operates in two stages: the first translates logical gates into an abstract, layout-independent instruction set; the second compiles these into local lattice surgery instructions that are allocated to hardware tiles according to a specified resource layout. The second stage retains logical parallelism while avoiding resource contention in the fault-tolerant layer, aiding realism. Additionally, users can specify dedicated tiles at which magic states are replenished, enabling resource costs from the logical computation to be considered independently from magic state distillation and storage. We demonstrate the applicability of our pipeline to large practical quantum circuits by providing resource estimates for the ground state estimation of molecules. Finally, we find that variable magic state consumption rates in real circuits can cause the resource costs of magic state storage to dominate unless production is varied to suit.

97 MATHEMATICS AND COMPUTING