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At least 163 records · Page 9

All sources NASA NTRS DOE OSTI

DOE OSTI2022

Structural, Dynamic, and Chemical Complexities in Zinc Anode of an Operating Aqueous Zn-Ion Battery

Aqueous Zn-ion battery is a promising technology for electrochemical energy storage. The formation of Zn dendrites, however, can jeopardize the cell cycle life and thus, hinders the industrial adoption of this technology. A fundamental understanding of the kinetic mechanisms is crucial for improving the Zn-ion battery. Here, in situ and operando X-ray microscopy methods are utilized to visualize the Zn plating and stripping behaviors under different electrochemical conditions. It is demonstrated that the substrate curvature, local morphology, electrochemical protocols, and the surface chemistry can collectively affect the Zn plating behavior. Furthermore, these results provide new insights for developing the next-generation dendrite-free and long-span aqueous Zn-ion battery.

25 ENERGY STORAGE↗

DOE OSTI2026

Pulse control of superconducting cavity-based qudits with a Fock-state basis

Fock-basis-encoding qudits allow quantum gates to operate on multiple qudit levels simultaneously. This capability is advantageous for applications involving complex local gate operations, such as the digital quantum simulation of non-Abelian gauge theories. However, compiling unitary operations to native qudit gates remains a challenging task, often requiring substantial computational resources. In this work, we theoretically investigate the direct pulse control of a superconducting radio-frequency cavity coupled to an ancilla transmon for gate synthesis. We will discuss the improvements and limitations applicable to high Fock states. This work paves the way toward more efficient and robust qudit-gate synthesis.

Li, Andy C.Y. [Fermilab] (ORCID:0000000345423739)↗

DOE OSTI2026

Pulse control of superconducting cavity-based qudits with a Fock-state basis

Li, Andy C.Y. [Fermilab] (ORCID:0000000345423739)↗

DOE OSTI2020

Software Framework for Federated Science Instruments

There is an unprecedented promise of enhanced capabilities for federations of leadership computing systems and experimental science facilities by leveraging software technologies for fast and efficient operations. These federations seek to unify different science instruments, both computing and experimental, to effectively support science users and operators to execute complex workflows. The FedScI project addresses the software challenges associated with the formation and operation of federated environments by leveraging recent advances in containerization of software and softwarization of hardware. We propose a software framework to streamline the federation usage by science users and it’s provisioning and operations by facility providers. A distinguishing element of our work is the support for improved interaction between experimental devices, such as beam-line instruments, and more traditional high-performance computing resources, including compute, network, storage systems. We present guiding principles for the software framework and highlight portions of a current prototype implementation. We describe our science use case involving neutron imaging beam-lines (SNAP/BL-3, Imaging/CG-1D) at the Spallation Neutron Source and High Flux Isotope Reactor facilities at Oak Ridge National Laboratory. Additionally, we detail plans for a more direct instrument interaction within a federated environment, which could enable more advanced workflows with feedback loops to shorten the time to science.

Naughton III, Thomas↗

DOE OSTI2025

Shielding the Quantum Realm: Technical Considerations for Maintaining a Stable and Secure Radio Frequency Environment for Quantum Research

Advancements in quantum technology, which include quantum computing, quantum sensing, quantum communications, and associated research, continue to revolutionize various fields of study by solving challenging problems deemed too difficult or more efficient than those used for classical computers. However, as these systems become ever so complex, it is critical to secure their electromagnetic operational environments and the associated impact on quantum systems and infrastructure. The goal of this synopsis is to bring attention to the susceptibility of quantum technology facilities to potential issues related to the radio frequency (RF) environment within the broader electromagnetic context. A framework is proposed for identifying, mitigating, monitoring, and auditing these often complex operational environments. By establishing best practices in the consideration and evaluation of these criteria, one can enhance the operational integrity, resilience, and security of quantum technology systems and facilities, thereby supporting their continued development and application in research and industry.

42 ENGINEERING↗

DOE OSTI2026

Krylov winding and emergent coherence in operator growth dynamics

The operator wavefunction provides a fine-grained description of quantum chaos and of the irreversible growth of simple operators into increasingly complex ones. Remarkably, at finite temperature this wavefunction can acquire a phase that increases linearly with the operator’s size, a phenomenon called . Although size winding occurs naturally in a holographic setting, the emergence of a coherent phase in a scrambled operator remains mysterious from the standpoint of a thermalizing quantum many-body system. Here, in this article, we elucidate this phenomenon by introducing the related concept of , whereby the operator wavefunction acquires a phase which winds linearly with the Krylov index. We show that Krylov winding is a generic feature of quantum chaotic systems and is a direct consequence of the universal operator growth bound hypothesis. It gives rise to size winding under two additional conditions: (i) a low-rank mapping between the Krylov and size bases, which ensures phase alignment among operators of the same size, and (ii) the saturation of the "chaos-operator growth" bound 𝜆 𝐿 ≤ 2⁢𝛼 (with 𝜆 𝐿 the Lyapunov exponent and 𝛼 the growth rate), which ensures a linear phase dependence on size. For systems which do not saturate this bound, with ℎ = 𝜆 𝐿 /2⁢𝛼 < 1, the winding with Pauli size ℓ becomes superliner, behaving as ℓ 1/ℎ . We illustrate these results with two classes of microscopic models: the Sachdev-Ye-Kitaev (SYK) model and its variants, and a disordered 𝑘-local spin model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2025

Data-driven emulation of modal aerosol microphysics via neural operator-based modeling

The complexity and the small characteristic scales of aerosol microphysical processes pose a big challenge for accurate and efficient Earth system simulations at regional and global scales. In this work, we construct and evaluate a surrogate model: the aerosol deep operator network (ADON), a physics-inspired dual-net architecture for emulating the aerosol microphysics parameterization suite in the version 2 of the Energy Earth System Model (E3SMv2). The current version of the surrogate model is trained on a dataset comprising 9.8 million samples obtained from a global E3SMv2 simulation with the horizontal resolution of about one degree under cloud-free conditions. Incorporating domain spatial and temporal coordinates, as well as principle components extracted from training data, the dual-net surrogate model effectively captures the intricate representations of aerosol and the relationship with atmospheric state variables, achieving an R-squared score over $$95.7\%$$ for all the lognormal aerosol modes in the extrapolated regime. The validated model provides feature importance of input variables and their impact on the predictive capacity of the surrogate model in relation to the E3SM. The computational cost of online inference time deployed on CPUs and GPUs with lower precisions highlights ADON’s efficiency and potential in robust predictive modeling for large-scale Earth system computations.

Bai, Zhe↗

DOE OSTI2023

Modeling, analysis, and optimization of complex nuclear processes and facilities via computational methods: The HALEU process case study

Improving and adapting industrial systems to timely meet changing programmatic and market demands is an important goal to achieve, including when operating and maintaining complex nuclear processes and facilities. However, changes to these complex systems are costly, particularly when they are already in place and bounded to stringent requirements and constraints such as when handling radioactive material and contaminated equipment. These conditions often exist when treating spent nuclear fuel remotely within shielded nuclear radiation chambers, commonly referred as hot cells, to condition nuclear material and/or fabricate products for utilization in other nuclear enterprises such as in the manufacture of advanced nuclear fuel. The illustrative case considered here is the production of high assay low enriched uranium (HALEU) products supporting the deployment of advanced nuclear reactors. For the HALEU program, resources invested were and are being systematically analyzed so that these investments are maximized in a facility that is nearly 60 years old. A methodology that has effectively enabled optimized and improvements in the Spent Fuel Treatment (SFT) program, and consequently the HALEU program, involves discrete event simulation as addressed in this article. Here, the quantification of multiple productivity metrics, including material processing rates, cycle times, bottlenecks, number of material transfers as well as equipment, workstation, and material handling utilization, has resulted in a myriad of diverse discoveries and data-informed decisions regarding process layout and constituent, labor levels and schedules, selection of new process units, storage needs, and other critical process configurations. This article describes such a computational capability being applied for decision-making, illustrates its application to an actual process and program, provides illustrative results, and argues how computational methods for the modeling, analysis, and optimization of complex processes and facilities does lead to informed decisions derived from data and not only from intuition.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2022

Deep Learning Based Frequency Stability Assessment in Power Grid with High Renewables

Frequency stability assessment is one critical aspect of power system security assessment. Traditional N-1 screening method is based on the simulations of a few typical daily and seasonal operation scenarios. However, the increasing integration of inverter-based renewables and the retirement of conventional synchronous generators result in decreasing system inertia and growing complexity of system operating conditions. Selecting a few typical operation scenarios cannot cover all operating conditions, and the time-domain simulation of all operation conditions requires tremendous time. This paper proposes a more efficient frequency stability assessment method based on deep learning. The affinity propagation clustering algorithm is used to divide the dataset into different clusters, so the selected dataset for training can cover the diversified operating conditions as much as possible. Also, feature normalization is applied to both the training dataset and testing dataset in order to remove any unnecessary bias. Especially, trained model based on full dataset normalization has bounded error in the prediction. The case study on the reduced 240-bus WECC system demonstrates that the proposed method can predict accurate frequency nadir with limited training dataset. The deep learning model using the revised feature normalization can predict more accurate frequency nadir than that using the traditional feature normalization and has very small maximum prediction error.

affinity propagation↗

DOE OSTI2023

Front-End Engineering Design for Carbon Capture from Shell's Deer Park Chemical Complex (Final Scientific/Technical Report)

This is the final scientific/technical report for a Front-End Engineering and Design (FEED) whose objective was to separate and capture over 820,000 tonnes per year (tpy) CO2 emissions from the commercially operated Shell Chemicals Complex located in Deer Park, Texas, USA reducing the overall facility CO2 emissions by 95% while providing energy transition jobs in a commercial area with a high concentration of refinery and chemical facilities producing CO2 emissions. The emission sources at the facility that were in scope were a total of Sixteen Furnaces – 8 OP3 furnaces and 8 OP3/HT2 Furnaces. Other minor sources were out of scope.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2024

Application of deep learning methods for beam size control during user operation at the Advanced Light Source

Past research at the Advanced Light Source (ALS) provided a proof-of-principle demonstration that deep learning methods could be effectively employed to compensate for the significant perturbations to the transverse electron beam size induced by user-controlled adjustments of the insertion devices. However, incorporating these methods into the ALS’ daily operations has faced notable challenges. The complexity of the system’s operational requirements and the significant upkeep demands has restricted their sustained application during user operation. Here, we introduce the development of a more robust neural network (NN)-based algorithm that utilizes a novel online fine-tuning approach and its systematic integration into the day-to-day machine operations. Our analysis emphasizes the process of NN model selection, demonstrates the superior performance of the NN-based method over traditional feedback methods, and examines the effectiveness and resilience of the new algorithm during user-operation scenarios. Published by the American Physical Society 2024

43 PARTICLE ACCELERATORS↗

DOE OSTI2023

LANSCE Facility Longevity Assessment

This LANSCE Facility Longevity Assessment examined 34 total systems critical to the operation of the LANSCE accelerator complex. These systems are primarily owned, operated, and maintained by AOT Division. Based on the criteria used in this assessment, there are 12 AOT Division systems that are potential high risk as related to longterm LANSCE operations. These systems may also impact the success of LAMP. Also summarized in this report are the facility activities planned over the next decade. These include general facility maintenance and infrastructure upgrades, as well as planned electrical system upgrades. The LANSCE Facility Operations (LFO) Division is responsible for this activity scope and budget planning. Most of the planned activities are general in nature and should have little impact on accelerator operations or LAMP activities as currently envisioned. However, close coordination with between AOT, LFO, and LAMP would be prudent. A next step should be to develop an actionable plan to address the high-risk systems. Potential criteria for developing such a plan could include: (1) Evaluating the global impact of the system (operations, program, safety, etc.), (2) Ranking by impact (ranked now by risk), (3) Estimating cost to implement the corrective actions (Is there already a plan or not?), and (4) Estimating the time required for corrective actions. An alternative could include integration of the assessment data into both the Asset Management System and the Maintenance Analytics Risk Register.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

Simulator for Hydrologic Unstructured Domains (SHUD v1.0): numerical modeling of watershed hydrology with the finite volume method

Abstract. Hydrologic modeling is an essential strategy for understanding and predicting natural flows, particularly where observations are lacking in either space or time or where complex terrain leads to a disconnect in the characteristic time and space scales of overland and groundwater flow. However, significant difficulties remain for the development of efficient and extensible modeling systems that operate robustly across complex regions. This paper introduces the Simulator for Hydrologic Unstructured Domains (SHUD), an integrated, multiprocess, multiscale, flexible-time-step model, in which hydrologic processes are fully coupled using the finite volume method. SHUD integrates overland flow, snow accumulation/melt, evapotranspiration, subsurface flow, groundwater flow, and river routing, thus allowing physical processes in general watersheds to be realistically captured. SHUD incorporates one-dimensional unsaturated flow, two-dimensional groundwater flow, and a fully connected river channel network with hillslopes supporting overland flow and baseflow. The paper introduces the design of SHUD, from the conceptual and mathematical description of hydrologic processes in a watershed to the model's computational structures. To demonstrate and validate the model performance, we employ three hydrologic experiments: the V-catchment experiment, Vauclin's experiment, and a model study of the Cache Creek Watershed in northern California. Ongoing applications of the SHUD model include hydrologic analyses of hillslope to regional scales (1 m2 to 106 km2), water resource and stormwater management, and interdisciplinary research for questions in limnology, agriculture, geochemistry, geomorphology, water quality, ecology, climate and land-use change. The strength of SHUD is its flexibility as a scientific and resource evaluation tool where modeling and simulation are required.

58 GEOSCIENCES↗

DOE OSTI2025

Modeling Offshore Wind Farm Performance in Coastal Low-Level Jets Using Coupled Mesoscale-Microscale Large Eddy Simulations

Accurately predicting wind farm reliability under complex offshore atmospheric conditions remains a key challenge, particularly during noncanonical meteorological events such as coastal low-level jets (LLJs). LLJs, characterized by strong nonmonotonic vertical shear and directional veer, depart significantly from the simplified inflow assumptions embedded in conventional design standards, low-fidelity engineering models, and microscale large eddy simulations of the atmospheric boundary layer. In this work, we use the virtual wind farm framework—an exascale, graphics processing unit–accelerated large eddy simulation platform coupled with high-fidelity aeroservoelastic turbine models and advanced mesoscale-microscale coupling via the ExaWind software stack—to investigate turbine responses under realistic LLJ forcing. Simulations are performed over the U.S. North Atlantic offshore domain with the use of meteorological inputs from New York State Energy Research and Development Authority buoy data, focusing on a representative LLJ case impacting the International Energy Agency 15 MW reference turbine. Our results show that LLJs can cause up to 50% power deficits in downstream turbine rows and significantly amplify low-speed shaft and tower loads through nonlinear coupling between complex inflow characteristics and turbine structural dynamics. Two primary mechanisms drive these load amplifications: (1) unique LLJ inflow features—including veer and vertical/lateral shear—and (2) the downstream evolution of the flow under stable thermal stratification, which suppresses turbulence mixing and alters wake recovery. These mechanisms produce streamwise variations in turbine loading not captured by standard hub height–based metrics or existing design load case (DLC) definitions. This study highlights the critical role of rotor-scale flow gradients in driving fatigue and system-level aeroelastic responses, challenging current DLC and control strategies. We advocate the integration of full-flow field, environment-aware wind inputs into load modeling and control algorithms. By leveraging exascale computing to resolve mesoscale-microscale coupling, this work lays the groundwork for next-generation offshore wind turbine design and operation in meteorologically complex marine environments.

17 WIND ENERGY↗

DOE OSTI2021

Size and momentum of an infalling particle in the black hole interior

The future interior of black holes in AdS/CFT can be described in terms of a quantum circuit. We investigate boundary quantities detecting properties of this quantum circuit. We discuss relations between operator size, quantum complexity, and the momentum of an infalling particle in the black hole interior. We argue that the trajectory of the infalling particle in the interior close to the horizon is related to the growth of operator size. The notion of size here differs slightly from the size which has previously been related to momentum of exterior particles and provides an interesting generalization. The fact that both exterior and interior momentum are related to operator size growth is a manifestation of complementarity.

2D Gravity↗

DOE OSTI2024

Co-optimization of nuclear reactor flexible power operation and maintenance scheduling

As flexible power operation of nuclear power plants becomes more attractive due to the reduction in fossil-fueled dispatchable generation on energy grids, finding optimal power production strategies that balance revenue generation with operational concerns becomes more complex. This article presents a general framework to aid operators in designing economically optimal long term dispatch strategies for nuclear power plants. The principal novelty is the linking of estimated system remaining useable life (RUL) to strategic operational decisions. It is shown that, depending on the relationship between the fixed costs from maintenance and the associated lost revenue from an outage, it can be economically optimal in the long term to delay a maintenance outage and not perform this alongside refueling. For a given relationship between power ramping and degradation, optimal strategies were found that discouraged load following in some situations while minimizing unnecessary maintenance. It is shown that heavy load following can cause maintenance and refueling outages to diverge due to their inverse relationships with respect to load following, potentially leading to a significant loss in capacity factor. As a result, this general framework can be applied to specific reactor dispatch allowing operators to adapt operational strategies as future grid conditions change.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

Exploding Bridgewire (EBW) Detonators: An Example of Synergistic Multiphysics

Exploding bridgewire (EBW) detonators are highly temporally reproducible explosive devices that require the rapid discharge of a high‐voltage capacitance to operate and so are immune to most of the accidental hazards associated with traditional electric detonators. They have been demonstrated to be safe enough for use in high‐consequence explosive applications. Despite continued use for over 82 years, understanding the exact mechanism of operation has remained elusive. Various researchers have ascribed either deflagration‐to‐detonation (DDT) or shock‐to‐detonation (SDT) phenomena observed in other explosive events to explain the science behind the successful engineering; however, a rigorous justification has been absent. Previously, we have demonstrated a complex interaction in EBW detonators between large electrical currents, non‐equilibrium thermodynamic material states, plasma physics, powder compaction phenomena, shock physics, photochemistry, and rapid conventional explosive chemical reaction processes. Specifically, we have made progress in understanding the complex multiphysics that operates in these detonators and demonstrating that it is a serendipitous synergy between UV light emitted from the arc formed as the bridge is electrically exploded and the accompanying short‐duration shock transmitted into the explosive powder bed that allows these devices to function at practical capacitor sizes and charge voltages. This insight not only places the topic on a firmer scientific footing but potentially enables new approaches to safe detonator design.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Tier 2 Safety Basis Document: Weapons and Complex Integration - Building 225

This Safety Basis Document (SBD) covers operations in the Weapons and Complex Integration (WCI) Building 225 (B225) facility. B225 is located in the southwestern quadrant of Lawrence Livermore National Laboratory (LLNL) and is operated and owned by WCI. This SBD satisfies the requirements of LLNL ES&H Manual Document 3.1, Nonnuclear Safety Basis Program (Ref. 2). B225 is classified as a Low Hazard Facility based on the inventory of radiological materials. Other hazards in B225: chemicals, radiation generating devices, and industrial hazards are managed at the Light Science and Industry (LSI) level. Biological and explosive hazards are not authorized in B225. There are four general Administrative Controls (ACs) identified as the B225 Operational Safety Requirements (OSRs). These administrative controls are deemed sufficient to ensure safe operations with respect to co-located workers and the public. Other safety features and administrative requirements are required by the LLNL ES&H Manual, including those to protect the facility workers and the environment, but these have not been selected as credited controls to protect the co-located workers or the public, which are the target populations of concern for the SBD.

61 RADIATION PROTECTION AND DOSIMETRY↗