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At least 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Asynchronous Grid Connections Providing Fast-Frequency Response: System Integration Study

This paper presents an integration study for the recent power electronic-based fast-frequency response technology, "asynchronous grid connection" which operates as an aggregator for behind-the-meter resources and distributed generators. Both technical feasibility and techno-economic viability studies are presented. The fast-frequency response characteristics, validated against Power Hardware-in-the-Loop experiments, are integrated into an IEEE 9- bus system in DigSilent PowerFactory for system-level dynamic analysis. It demonstrates that droop-based control enhancements to local distributed generators allow their aggregation to provide grid-supporting functionalities and participate in the ancillary service markets. To this end, a long-term simulation embedding the system within the ancillary service market framework of PJM has been performed. The fast-frequency response regulation is subsequently used to calculate the potential revenue and project the results on a 15-year investment horizon. Finally, the techno-economic analysis provides recommendations for enhancements to access the full potential of distributed generators on a technical and regulatory level.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Assessment of the driving factors of CO 2 mitigation costs of household biogas systems in China: A LMDI decomposition with cost analysis model

China has been placing a substantial focus on biogas for reducing energy consumption and carbon dioxide (CO 2 ) emissions. The operation mode of biogas systems may make the CO 2 reduction target over-optimistic. There is limited research to investigate the influential factors that may be causing the gap between the actual and theoretical CO 2 reduction costs of biogas systems in China. In this research, by using field survey data of 209 biogas users and 489 non-biogas users from 19 villages in 2015, the gap between actual and theoretical unit CO 2 reduction cost is quantified at approximately 156 USD/t CO 2 . By employing the Logarithmic Mean Divisia Index I (LMDI) model, it is found that both the cost effect (48%) and the reduction effect (52%) contribute to the unit CO 2 reduction cost gap. Furthermore, four influential factors–household labor, accessibility to the energy resource, acceptance of biogas technology, and subsidy–significantly narrow the gap between actual and theoretical CO 2 reduction costs, while the levelized subsidy contributes to widening the gap. On average, biogas systems should be operated for at least four years and the substitution rate should be more than 67% in order to keep the gap between actual and theoretical CO 2 reduction costs under 50%.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Stochastic multiscale modeling for quantifying statistical and model errors with application to composite materials

This paper provides a coherent and efficient computational framework for stochastic multiscale analysis of material systems in the presence of parametric uncertainties and modeling errors. Uncertainty in those model parameters that are not deduced as upscaled quantities is attributed to an uncertainty “germ”. While such parameters can appear at any scale, they are predominant at the finest analysis scale. Additional uncertainties stemming from statistical estimation, attributed to lack of data and model error, are associated with each submodel contributing to the multiscale system. Here, a robust and efficient framework based on a generalized extended polynomial chaos expansion (gEPCE) is proposed to simultaneously propagate all these uncertainties in order to provide a probabilistic representation of specific quantities of interest (QoI). We characterize the full probability distribution of the QoI and the uncertainty in the failure probability pertaining to its tails. By combining gEPCE with kernel density estimation (KDE) and directional derivatives, we construct sensitivity measures that connect these statistical metrics of QoI to the various sources of uncertainty to assess their individual and combined impacts. An illustrative problem featuring three-point bending of a composite beam is investigated to demonstrate the presented approach.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A bi-level data-driven framework for fault-detection and diagnosis of HVAC systems

Long-term operation of heating, ventilation, and air conditioning (HVAC) systems will eventually lead to a range of HVAC system failures, resulting in excessive energy consumption and maintenance costs. Here, to avoid HVAC malfunctioning, fault detection diagnostic (FDD) is utilized as a common practice. Machine learning methods have lately received considerable interest for FDD analysis of HVAC systems due to their high detection accuracy. Meanwhile, HVAC malfunctions are regarded as rare occurrences, hence normal operating data samples are much more accessible than data samples in faulty and malfunctioning conditions. The dominating frequency of normal operation in HVAC datasets has also led to heavily biased classification algorithms within the literature. Moreover, the focus of previous literature has been on increasing the accuracy of the models which leads to a high number of false positives (misleading alarms) in the system. In order to enhance the performance of diagnostic procedures and fill the mentioned gaps, this study proposes a novel data-driven framework. A bi-level machine learning framework is developed for diagnosing faults in air handling units (AHUs) and rooftop units (RTUs) based on principal component analysis (PCA), time series anomaly detection, and random forest (RF). It is shown that PCA can reduce the dataset dimension with one principal component accounting for 95% of data variance. Also, the random forest could classify the faults with 89% precision for single-zone AHU, 85% precision for RTU, and 79% for multi-zone AHU. By proposing this framework, three persistent challenges are addressed: (I) minimizing false positives; (II) accounting for data imbalance; and (III) normal condition monitoring of equipment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

ECAR-6580 Rev 0 ASME Section III, Division 5 Analysis of the MARVEL PCS and GVS Top Corner

The purpose of this Engineering Calculations and Analysis Report (ECAR) is to document the structural evaluation for part of the Microreactor Applications Research Validation and Evaluation (MARVEL) Primary Coolant System (PCS) and Guard Vessel System (GVS). For the PCS this relates specifically to the Distribution Plenum (DP), The Intermediate Heat Exchanger (IHX), and the Upper Downcomer (UD). For the GVS, this will include only the top corner that is machined into the DP Top Plate. These components will be evaluated using the 2021 version of ASME Section III, Division 5 [1] which is a design code that governs the construction of vessels, storage tanks, piping, pumps, valves, supports, core support structures and nonmetallic core components for use in high temperature reactor systems and their supporting systems. Materials at high temperature are subject to creep and fatigue mechanisms that require additional analyses that aren’t covered in ASME Section III, Division 1 rules. Division 5 contains two approaches: elastic or inelastic, however, additional Code Cases specific to Division 5, allow for an Elastic-Perfectly Plastic (EPP) approach. The components analyzed in this ECAR will use a combination of the elastic and EPP approach. Only Design and Service Levels A and B are evaluated in this ECAR. Service Level D evaluations for the entire PCS are documented in ECAR-6564, “MARVEL Project Primary Coolant System Pressure Vessel Stress Documentation” [2] and for the entire GVS are documented in ECAR-6574, “MARVEL Guard Vessel System FEA and ASME Analysis” [3]. The Design and Service Level A and B analyses for the PCS Downcomer piping and Core Barrel are documented in ANL-24/36, "Engineering Calculations and Analysis of the Core Barrel and Downcomer Piping in the MARVEL PCS” [4], and the GVS (except for the top corner) is in ECAR-6574, “MARVEL Guard Vessel System FEA and ASME Analysis.” See Section 2.0 for more detail on the analysis boundaries.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2020

Infrared spectroscopic method for uranium isotopic analysis

A high performance infrared (HPIR) system was developed and demonstrated for the infrared absorption analysis of {sup 235}U and {sup 238}U isotopes in uranium hexafluoride gas samples. Sweeping the quantum cascade laser light source over the spectral range and sampling via a high-rate analog-to-digital converter provided 0.0005 cm-1 spectral resolution, which allowed for high-precision measurements of the isotopic peak shift. A data analysis method was developed using principal component analysis to predict the isotope weight % content of {sup 235}U. The HPIR precision, accuracy, and error were evaluated for a wide range of isotopic ratio samples (0.287 – 93.7 weight % {sup 235}U), and the results were compared to the International Target Values (ITVS) set forth by the International Atomic Energy Agency (IAEA) for non-destructive and destructive analytical techniques. The method meets or surpasses the IAEA ITVs for non-destructive analysis of samples with isotopic content of depleted to highly enriched. The results also demonstrated the capability of the HPIR system to correctly predict the {sup 235}U weight % content of a mislabeled sample whose isotopic distribution was validated by mass spectroscopic measurements. The HPIR measurement is nondestructive and, thus, allows for confirmatory analyses of the exact sample at a designated IAEA lab if higher-resolution or a certified analysis is needed. (author)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Neural Lyapunov Control for Power System Transient Stability: A Deep Learning-Based Approach

We report that power system control and transient stability analysis play essential roles in secure system operation. Control of power systems typically involves highly nonlinear and complex dynamics. Most of the existing works address such problems with additional assumptions in system dynamics, leading to a requirement for a complete and general solution. This paper, therefore, proposes a novel control framework for various power system control and stability problems leveraging a learning-based approach. The proposed framework includes a two-module structure that iteratively and jointly learns the candidate Lyapunov function and control law via deep neural networks in a learning module. Meanwhile, it guides the learning procedure towards valid results satisfying Lyapunov conditions in a falsification module. The introduced termination criteria ensure provable system stability. This control framework is verified through several studies handling different types of power system control problems. The results show that the proposed framework is generalizable and can simplify the control design for complex power systems with the stability guarantee and enlarged region of attraction.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

S-QGPU: Shared quantum gate processing unit for distributed quantum computing

We propose a distributed quantum computing (DQC) architecture in which individual small-sized quantum computers are connected to a shared quantum gate processing unit (S-QGPU). The S-QGPU comprises a collection of hybrid two-qubit gate modules for remote gate operations. In contrast to conventional DQC systems, where each quantum computer is equipped with dedicated communication qubits, S-QGPU effectively pools the resources (e.g., the communication qubits) together for remote gate operations, and, thus, significantly reduces the cost of not only the local quantum computers but also the overall distributed system. Our preliminary analysis and simulation show that S-QGPU's shared resources for remote gate operations enable efficient resource utilization. When not all computing qubits (also called data qubits) in the system require simultaneous remote gate operations, S-QGPU-based DQC architecture demands fewer communication qubits, further decreasing the overall cost. Alternatively, with the same number of communication qubits, it can support a larger number of simultaneous remote gate operations more efficiently, especially when these operations occur in a burst mode.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

WEC as a multiport

SAND2025-00555O WEC as a multiport is a software tool that simplifies the modeling and design of ocean wave energy converters (WECs) using a multi-port network framework in the frequency domain. Users can simulate the dynamic interactions between WECs and ocean waves, optimizing energy extraction and system performance. This tool supports the analysis of complex wave energy systems, aiding in the development of efficient and effective WEC designs. 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↗
DOE OSTI2022

Density reconstruction in convergent high-energy-density systems using x-ray radiography and Bayesian inference

X-ray radiography is a technique frequently used to diagnose convergent high-energy-density (HED) systems, such as inertial confinement fusion implosion, and provides unique information that is not available through self-emission measurements. In this work, we investigate the scope and limits of that information using a radiography simulation combined with the Bayesian inference workflow. The accuracy of density reconstruction from simulated radiographs of spherical implosions driven with 27 kJ laser energy is assessed, including the increase or decrease in accuracy due to the addition of Lagrangian marker layers, Poisson noise, and improved prior information. This work is the first to present the full uncertainty distributions inferred from radiography analysis in HED systems and demonstrates the importance of constructing the full posterior probability density, as opposed to a point estimate, due to the modal structure of the likelihood surface introduced by typical experimental noise sources. This general methodology can be used both for robust analysis of radiographic data and for an improved design of radiography experiments by modeling the full experimental system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

PERFORMANCE ANALYSIS OF AN ENGINEERING SCALE HYDROTHERMAL LIQUEFACTION SYSTEM

This work evaluates the Modular Hydrothermal Liquefaction System (MHTLS), an engineering-scale, integrated continuous HTL plant operated at the Pacific Northwest National Laboratory (PNNL), for converting realistic wet wastes into energy-dense biocrudes. The production campaigns discussed here processed algae, sewage sludges, lignocellulosic blends, Industrial food waste, and engineered food-waste slurries at 350?°C and around 200?bar, with nominal feed rates of ~12?L?h?¹. We report biocrude yields and composition, establish mass and elemental (C, N) balances, and quantify energy performance via heater duties, heat-exchanger behavior, and system-level efficiencies. Biocrudes contained 76–80?wt?% C (dry, ash-free) with HHVs of 38-41?MJ?kg?¹, substantially higher than feed materials HHVs of 16.6–26.1?MJ?kg?¹ and approaching petroleum fuels. Dry, ash-free biocrude yields of 32–53?wt?% corresponded to 43–71?wt?% carbon yields, with 18–40?wt?% of feed carbon routed to the aqueous phase. Thermal efficiencies were 50-65%, and total energy efficiencies, including reactor heat input, were 35-55%. A counter-current tube-in-tube heat exchanger delivered U values of 200–450?W?m?²?K?¹, with fouling-induced declines impacting heat recovery and heater duty. The analysis highlights three priorities for the process intensification of HTL: robust, fouling-resistant heat recovery, hydrodynamically suitable reactor and heat-exchanger designs, simplified and predictable solids management, and biocrude-water separation.

Biocrude production↗
DOE OSTI2021

Advanced calculations of X-ray spectroscopies with FEFF10 and Corvus

The real-space Green's function code FEFF has been extensively developed and used for calculations of X-ray and related spectra, including X-ray absorption (XAS), X-ray emission (XES), inelastic X-ray scattering, and electron energy-loss spectra. The code is particularly useful for the analysis and interpretation of the XAS fine-structure (EXAFS) and the near-edge structure (XANES) in materials throughout the periodic table. Nevertheless, many applications, such as non-equilibrium systems, and the analysis of ultra-fast pump–probe experiments, require extensions of the code including finite-temperature and auxiliary calculations of structure and vibrational properties. To enable these extensions, we have developed in tandem a new version FEFF10 and new FEFF -based workflows for the Corvus workflow manager, which allow users to easily augment the capabilities of FEFF10 via auxiliary codes. This coupling facilitates simplified input and automated calculations of spectra based on advanced theoretical techniques. The approach is illustrated with examples of high-temperature behavior, vibrational properties, many-body excitations in XAS, super-heavy materials, and fits of calculated spectra to experiment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Overcoming persistent challenges in putting environmental flow policy into practice: a systematic review and bibliometric analysis

The implementation of environmental flows (e-flows) aims to reduce the negative impacts of hydrological alteration on freshwater ecosystems. Despite the growing attention to the importance of e-flows since the 1970s, actual implementation has lagged. Therefore, we explore the limitations in e-flows implementation, their systemic reasons, and solutions. We conducted a systematic review and a bibliometric analysis to identify peer-reviewed articles published on the topic of e-flows implementation research in the last two decades, resulting in 68 research and review papers. Co-occurrence of terms, and geographic and temporal trends were analyzed to identify the gaps in environmental water management and propose recommendations to address limitations on e-flows implementation. We identify the underlying causes and potential solutions to such challenges in environmental water management. The limitations to e-flow implementation identified were categorized into 21 classes. The most recognized limitation was the competing priorities of human uses of water (n = 29). Many secondary limitations, generally co-occurring in co-causation, were identified as limiting factors, especially for implementing more nuanced and sophisticated e-flows. The lack of adequate hydrological data (n = 24) and ecological data (n = 28) were among the most mentioned, and ultimately lead to difficulties in starting or continuing monitoring/adaptive management (n = 28) efforts. The lack of resource/capacity (n = 21), experimentation (n = 19), regulatory enforcement (n = 17), and differing authorities involved (n = 18) were also recurrent problems, driven by the deficiencies in the relative importance given to e-flows when facing other human priorities. In order to provide a clearer path for successful e-flow implementation, system mapping can be used as a starting point and general-purpose resource for understanding the sociohydrological problems, interactions, and inherited complexity of river systems. Secondly, we recommend a system analysis approach to address competing demands, especially with the use of coupled water-energy modeling tools to support decision-making when hydropower generation is involved. Such approaches can better assess the complex interactions among the hydrologic, ecological, socioeconomic, and engineering dimensions of water resource systems and their effective management. Lastly, given the complexities in environmental water allocation, implementation requires both scientific rigor and proven utility. Consequently, and where possible, we recommend a move from simplistic flow allocations to a more holistic approach informed by hydroecological principles. To ease conflicts between competing water demands, water managers can realize more 'pop per drop' by supporting key components of a flow regime that include functional attributes and processes that enhance biogeochemical cycling, structural habitat formation, and ecosystem maintenance.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

The Convergence of Vehicle Electrification and Automation - Enabling Sustainable Automated Mobility Districts

The transportation industry is entering a new frontier with three major simultaneous transformations: electrification, automation, and on-demand services. All three directly affect the same spaces of vehicle technology, infrastructure, and system operational performance. Further, each area of change adds its own driving forces of complexity to the others' design challenges. This paper explores these transformations, framing the implications for vehicle technology and infrastructure and their impact on operating concepts and strategies, which in turn impact the sustainability of the transportation infrastructure in the built environment. Specifically, this paper examines battery-electric vehicles operating in a fully automated fleet within an "automated mobility district" (AMD) setting with multiple on-demand services. From this examination, the paper assesses the implications for transportation electrification, comparing and contrasting traditional fixed-route services with those of on-demand transit and automated transit networks, including the trade-offs between vehicle range (battery capacity), charging parameters, power availability, and operations predictability with respect to policy and infrastructure configurations. The paper also addresses the configuration and management of boarding and alighting zones (also called pickup and drop-off zones), and the need for complementary infrastructure intelligence at intersections and curbs. Finally, conclusions are drawn with respect to the system integration and analysis needs for AMDs regarding resilience and sustainability of mobility infrastructure.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Projecting Electric Vehicle Electricity Demands and Charging Loads

After over a century of petroleum dominance, electric vehicles are rapidly disrupting the transportation energy landscape. At the same time, the electric power systems are undergoing profound changes as variable renewables replace dispatchable fossil generators. It is critically important to understand how transportation electrification will impact electricity demand, including changes in the load shapes that characterize the system, and the value of flexible electric vehicle charging to better balance electricity demand and supply. This talk focuses on methods to project electricity demand for EV charging with high spatiotemporal fidelity to enable electricity system modeling and analysis and summarizes results from recent NREL studies in this area.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2020

Structural, electronic, and magnetic properties of Ni nanoparticles supported on the TiC(001) surface

Metals supported on transition metal carbides are known to exhibit good catalytic activity and selectivity, which is interpreted in terms of electron polarization induced by the support. In the present work we go one step further and investigate the effect that a titanium carbide (TiC) support has on the structural, electronic, and magnetic properties of a series of Ni nanoparticles of increasing size exhibiting a two- or three-dimensional morphology. Furthermore, the obtained results show that three-dimensional nanoparticles are more stable and easier to form than their homologous two-dimensional counterparts. Also, comparison to previous results indicates that, when used as the support, transition metal carbides have a marked different chemical activity with respect to oxides. The analysis of the magnetic moments of the supported nanoparticles evidences a considerable quenching of the magnetic moment that affects mainly the Ni atoms in close contact with the TiC substrate indicating that these atoms are likely to be responsible for the catalytic activity reported for these systems. Overall, the analysis of the electronic structure reveals the existence of chemical interactions between the Ni nanoparticles and the TiC support, even if the net charge transfer between both systems is negligible.

36 MATERIALS SCIENCE↗
DOE OSTI2021

CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field

Explicit treatment of electronic polarizability in empirical force fields (FFs) represents an extension over a traditional additive or pairwise FF and provides a more realistic model of the variations in electronic structure in condensed phase, macromolecular simulations. To facilitate utilization of the polarizable FF based on the classical Drude oscillator model, Drude Prepper has been developed in CHARMM-GUI. Drude Prepper ingests additive CHARMM protein structures file (PSF) and pre-equilibrated coordinates in CHARMM, PDB, or NAMD format, from which the molecular components of the system are identified. These include all residues and patches connecting those residues along with water, ions, and other solute molecules. This information is then used to construct the Drude FF-based PSF using molecular generation capabilities in CHARMM, followed by minimization and equilibration. In addition, inputs are generated for molecular dynamics (MD) simulations using CHARMM, GROMACS, NAMD, and OpenMM. Validation of the Drude Prepper protocol and inputs is performed through conversion and MD simulations of various heterogeneous systems that include proteins, nucleic acids, lipids, polysaccharides, and atomic ions using the aforementioned simulation packages. Stable simulations are obtained in all studied systems, including 5 μs simulation of ubiquitin, verifying the integrity of the generated Drude PSFs. Additionally, the ability of the Drude FF to model variations in electronic structure is shown through dipole moment analysis in selected systems. Finally, the capabilities and availability of Drude Prepper in CHARMM-GUI is anticipated to greatly facilitate the application of the Drude FF to a range of condensed phase, macromolecular systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Roadmap for IES Modeling and Simulation Activities

Since inception of the DOE-NE Integrated Energy Systems (IES) program, several program and modeling visions and roadmaps have been published. In 2017, the last modeling and simulation capability development plan was published. In 2020, a comprehensive roadmap for the DOE-NE Integrated Energy Systems program has been published. The current report is meant to update the 2017 modeling and simulation capability roadmap and complement the IES overall program roadmap published in 2020. The role of modeling and simulation within IES is to support the demonstration of new coupled integrated technologies along every step of the technology maturation from the strategic analysis of preferred system architecture to preliminary design, to laboratory testing, up to full commercial testing and integration. To achieve this role, modeling and simulation must be able to assess the technical performance and the economic viability of potential IES. Also, modeling and simulation must provide support for experimental evaluations, i.e., support component design and real time operations of experimental demonstration systems. Finally, modeling and simulation can help scale-up experimental systems to the final commercial systems. This report details the current state of the modeling and simulation efforts within IES for the above-mentioned areas, provides a gap analysis and proposes next steps for a time horizon over the next 4 to 5 years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗