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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Spokane Eco-District Campus Performance Under Alternative Electricity Rates: Benefits for virtual power plant participants and suppliers

Here, the respective benefits for virtual power plant participants and suppliers are revealed and compared under alternative electricity rate structures, including conventional large commercial electricity rates, large commercial electricity rates with special rates for demand-side generation, and dynamic hourly transactive prices. These three scenarios were explored using the capabilities of the Eco-District campus, a virtual power plant in Spokane, Washington, that is supplied electricity by Avista Utilities. The Eco-District Campus was modeled to host solar power generation, battery energy storage, and thermal energy resources that must be coordinated with building heating and cooling needs. First, the electricity supplier’s costs for energy, infrastructure, and energy losses were modeled. Then, the virtual power plant’s performance was modeled while presuming that its manager would minimize its costs under its electricity rate structure. The demand charges of conventional commercial electricity rates managed monthly peak, as would be expected, but hourly dynamic transactive pricing resulted in a striking alignment between the costs incurred by the supplier and the virtual power plant’s energy costs.

Electricity rates↗
DOE OSTI2023

Novel Rotated Virtual Synchronous Generator Control for Power-Sharing in Microgrids with Complex Line Impedance

Virtual synchronous generator (VSG) control is based on the fact that the line impedance in a microgrid is highly inductive. This assumption was made due to the emulation of the stator winding of an electrical machine. This concept can affect the controllability of a microgrid with complex line impedance, generating deviations in the chosen operation point. To overcome this issue, additional techniques must be implemented. This paper describes a novel mathematical approach that uses the power line characteristics in a microgrid to rotate the power control reference frame and proposes a new control method called a “Rotated Virtual Synchronous Generator” (RVSG). This RVSG control approach integrates the effect of complex impedance on the microgrid’s operation and adjusts the reference frame accordingly to improve the system’s stability and performance. The use of this proposed mathematical approach in microgrids allows the further emulation of virtual inertia in microgrids that lack inertia. Finally, a comparison between RVSG control and the classical virtual synchronous generator method is carried out to show that it allows the improvement of the transient power response, power quality, stability, and performance, mainly in microgrids with complex line impedance.

42 ENGINEERING↗
DOE OSTI2024

Beam Spin Asymmetry Measurements of Deeply Virtual $π$ 0 Production with CLAS12

The new experimental measurements of beam spin asymmetry were performed for the deeply virtual exclusive $π$ 0 production in a wide kinematic region with the photon virtualities $Q$ 2 up to 8 GeV 2 and the Bjorken scaling variable $x$ $B$ in the valence regime. The data were collected by the CE BAF Large Acceptance Spectrometer (CLAS12) at Jefferson Lab with longitudinally polarized 10.6 GeV electrons scattered on an unpolarized liquid-hydrogen target. Sizable asymmetry values indicate a substantial contribution from transverse virtual photon amplitudes to the polarized structure functions. The interpretation of these measurements in terms of the Generalized Parton Distributions (GPDs) demonstrates their sensitivity to the chiral-odd GPD $\overline{E}$ $T$ , which contains information on quark transverse spin densities in unpolarized and polarized nucleons and provides access to the proton’s transverse anomalous magnetic moment. Additionally, the data were compared to a theoretical model based on a Regge formalism that was extended to the high photon virtualities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Direct, simple and efficient computation of all components of the virtual-casing magnetic field in axisymmetric geometries with Kapur–Rokhlin quadrature

In a recent publication (Toler et al., J. Plasma Phys., vol. 89, issue 2, 2023, p. 905890210), we demonstrated that for axisymmetric geometries, the Kapur–Rokhlin quadrature rule provided an efficient and high-order accurate method for computing the normal component, on the plasma surface, of the magnetic field due to the toroidal current flowing in the plasma, via the virtual-casing principle. The calculation was indirect, as it required the prior computation of the magnetic vector potential from the virtual-casing principle, followed by the computation of its tangential derivative by Fourier differentiation, to obtain the normal component of the magnetic field. Our approach did not provide the other components of the virtual-casing magnetic field. In this letter, we show that a more direct and more general approach is available for the computation of the virtual-casing magnetic field. The Kapur–Rokhlin quadrature rule accurately calculates the principal value integrals in the expression for all the components of the magnetic field on the plasma boundary, and the numerical error converges at a rate nearly as high as the indirect method we presented previously.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

An artificial intelligence accelerated virtual screening platform for drug discovery

Abstract Structure-based virtual screening is a key tool in early drug discovery, with growing interest in the screening of multi-billion chemical compound libraries. However, the success of virtual screening crucially depends on the accuracy of the binding pose and binding affinity predicted by computational docking. Here we develop a highly accurate structure-based virtual screen method, RosettaVS, for predicting docking poses and binding affinities. Our approach outperforms other state-of-the-art methods on a wide range of benchmarks, partially due to our ability to model receptor flexibility. We incorporate this into a new open-source artificial intelligence accelerated virtual screening platform for drug discovery. Using this platform, we screen multi-billion compound libraries against two unrelated targets, a ubiquitin ligase target KLHDC2 and the human voltage-gated sodium channel Na V 1.7. For both targets, we discover hit compounds, including seven hits (14% hit rate) to KLHDC2 and four hits (44% hit rate) to Na V 1.7, all with single digit micromolar binding affinities. Screening in both cases is completed in less than seven days. Finally, a high resolution X-ray crystallographic structure validates the predicted docking pose for the KLHDC2 ligand complex, demonstrating the effectiveness of our method in lead discovery.

Science & Technology - Other Topics↗
DOE OSTI2023

Encoding integers and rationals on neuromorphic computers using virtual neuron

Abstract Neuromorphic computers emulate the human brain while being extremely power efficient for computing tasks. In fact, they are poised to be critical for energy-efficient computing in the future. Neuromorphic computers are primarily used in spiking neural network–based machine learning applications. However, they are known to be Turing-complete, and in theory can perform all general-purpose computation. One of the biggest bottlenecks in realizing general-purpose computations on neuromorphic computers today is the inability to efficiently encode data on the neuromorphic computers. To fully realize the potential of neuromorphic computers for energy-efficient general-purpose computing, efficient mechanisms must be devised for encoding numbers. Current encoding mechanisms (e.g., binning, rate-based encoding, and time-based encoding) have limited applicability and are not suited for general-purpose computation. In this paper, we present the virtual neuron abstraction as a mechanism for encoding and adding integers and rational numbers by using spiking neural network primitives. We evaluate the performance of the virtual neuron on physical and simulated neuromorphic hardware. We estimate that the virtual neuron could perform an addition operation using just 23 nJ of energy on average with a mixed-signal, memristor-based neuromorphic processor. We also demonstrate the utility of the virtual neuron by using it in some of the μ -recursive functions, which are the building blocks of general-purpose computation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Virtual node graph neural network for full phonon prediction

Understanding the structure-property relationship is crucial for designing materials with desired properties. The past few years have witnessed remarkable progress in machine-learning methods for this connection. However, substantial challenges remain, including the generalizability of models and prediction of properties with materials-dependent output dimensions. Here we present the virtual node graph neural network to address the challenges. By developing three virtual node approaches, we achieve Γ-phonon spectra and full phonon dispersion prediction from atomic coordinates. We show that, compared with the machine-learning interatomic potentials, our approach achieves orders-of-magnitude-higher efficiency with comparable to better accuracy. This allows us to generate databases for Γ-phonon containing over 146,000 materials and phonon band structures of zeolites. Additionally, our work provides an avenue for rapid and high-quality prediction of phonon band structures enabling materials design with desired phonon properties. The virtual node method also provides a generic method for machine-learning design with a high level of flexibility. In this study, the authors present a virtual node graph neural network to enable the prediction of material properties with variable output dimensions. This method offers fast and accurate predictions of phonon band structures in complex solids.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Modified Virtual Oscillator Based Operation of Grid Forming Converters with Single Voltage Sensor

Virtual oscillator based control architecture for grid forming converter with inner current control loop for additional objective accomplishments is proposed in this paper. In general, virtual oscillator is based on Lienard type of oscillator equation with a cubic nonlinearity. Virtual oscillator alone cannot accommodate unbalanced or harmonic mitigation while operating converters in grid forming mode. Therefore, to accomplish better tracking performance, incorporating the provision for nonlinear and/or unbalanced loads, an inner current control loop is utilized which is based upon Lyapunov energy function type control architecture due to its advantages. To reduce the overall cost of implementation and ensure proper phase difference in the generated voltages, the implemented virtual oscillator operates with only one voltage feedback from the point of common coupling as presented in this paper. To verify the effectiveness of the proposed approach, the overall system has been modeled in MATTLAB/Simulink and PLECS domain and case studies showing the successful production of low harmonic load voltages under nonideal loading condition along with other important results are presented in this paper.

dual second order generalized integrator↗
DOE OSTI2024

Virtual Trajectories for I–24 MOTION: Data and Tools

This paper introduces a toolbox for generating virtual trajectories, which we call VT-tools v1.0, to address challenges in analyzing large but imperfect trajectory datasets. VT-tools v1.0 is able to generate virtual trajectories from large raw datasets that are typically challenging to process due to their size. We also provide a set of these virtual trajectories resulting from I–24 MOTION INCEPTION v1.0 data and demonstrate the practical utility of these trajectories in as-sessing speed variability and travel times across different lanes within the INCEPTION dataset. The virtual trajectory toolbox opens future research on traffic waves and their impact on energy. The VT-tools v1.0 Python implementation and sample data are publicly available at https://i24motion.org.

42 ENGINEERING↗
DOE OSTI2022

Virtual Dynamic Grid Impedance and Its Impacts on Harmonics and Stability of Inverter Based Resources Plant

Nowadays, a large number of inverter-based resources (IBRs) are integrated into the grid at a single connection point as an IBR plant. In this article, a virtual dynamic grid impedance concept is introduced to evaluate the harmonics and stability for grid integration of an IBR plant containing multiple IBRs. First, a detailed theoretical study is conducted to build a foundation of the virtual grid impedance concept, which is a dynamic impedance that changes with the number of IBRs added into an IBR plant. Then, based on the new virtual dynamic grid impedance concept, frequency spectrum analysis is performed to explore harmonic impact at the interconnection point for an IBR plant with IBRs having L, LC, and LCL filters, respectively. An electromagnetic transient (EMT) simulation model of a grid-connected IBR plant is developed to explore the harmonics and stability of the IBR plant connected to the grid as well as the reliable operation of IBRs within the plant from the novel virtual equivalent dynamic grid impedance point of view. Hardware experiments are conducted to validate the EMT simulation evaluation. The results show that the number of IBRs added into an IBR plant influences the grid impedance, i.e., grid strength, and the grid impedance variation has multiple impacts on the IBR plant and IBRs within the plant depending on the grid-connected filters of the IBRs.

grid impedance↗
DOE OSTI2024

Compiler-Driven FPGA Virtualization with SYNERGY

FPGAs are increasingly common in modern applications, and cloud providers now support on-demand FPGA acceleration in datacenters. Applications in datacenters run on virtual infrastructure, where consolidation, multi-tenancy, and workload migration enable economies of scale that are fundamental to the provider's business. However, a general strategy for virtualizing FPGAs has yet to emerge. While manufacturers struggle with hardware-based approaches, we propose a compiler/runtime-based solution called Synergy. We show a compiler transformation for Verilog programs that produces code able to yield control to software atsub-clock-tickgranularity according to the semantics of the original program. Synergy uses this property to efficiently support core virtualization primitives: suspend and resume, program migration, and spatial/temporal multiplexing, on hardware which is availabletoday.We use Synergy to virtualize FPGA workloads across a cluster of Intel SoCs and Xilinx FPGAs on Amazon F1. The workloads require no modification, run within 3--4x of unvirtualized performance, and incur a modest increase in FPGA fabric usage.

Computer Science↗
DOE OSTI2023

Virtual Community Trains

When access to transit solutions is restricted to parts of a community, a division occurs what leads to disadvantaged socioeconomic conditions that only grows over time. This restriction causes difficulties in accessing needed resources such as medical facilities, employment, healthy food, education, healthy food, and more. To solve this restricted access, Labyrinth Smart Mobility and partners are developing a virtual community train that encourages scalability, energy efficiency, and equitability to all regardless of individual circumstances and limitation. The implementation of virtual community trains allows access to resources previously out of reach. The virtual community train enables one operator to drive a lead vehicle. This lead vehicle would then provide direction to a follow vehicle through vehicle-to-vehicle communication. Labyrinth Smart Mobility in conjunction with partners used various methods and resources to prove market feasibility, technical feasibility, economic need and viability, and more as well as design system requirements and architecture emphasis efficiency and safety. In doing so, Labyrinth Smart Mobility and partners will continue these advancements to further develop the virtual community train.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Community Input on the Need, Scope, and Development Roadmap of a Proposed National Virtual Biosecurity for Bioenergy Crops Center (NVBBCC)

Brookhaven National Laboratory (BNL) was awarded a pilot project in FY22 under the U.S. Department of Energy (DOE) Office of Science Biopreparedness Research Virtual Environment (BRaVE) initiative, to define research priorities, needs, and requirements for a national virtual center devoted to the biosecurity of bioenergy crops. The mission of the proposed center, referred to as the National Virtual Biosecurity for Bioenergy Crop Center (NVBBCC), would be to provide the scientific basis and tools to detect, characterize, model, and mitigate biothreats to bioenergy crops. This function will be essential to ensure the projected increased US reliance over the next few decades on key plant-based energy products, such as biojet fuel. The NVBBCC is envisioned as a distributed, virtual center with multiple national laboratories at its core to maximize the use of existing unique facilities and expertise across the DOE complex. A major goal of the pilot project was to develop a roadmap for establishing NVBBCC through a series of meetings to gather community input. A total of about 150 individuals, drawn from DOE laboratories, the USDA, academia, NIH, DHS and the private sector participated in six planning meetings held in FY23. Four of the meetings were focused on specific research topics (disease detection, dispersion and disease propagation, biomolecular characterization of plant-pathogen interaction, and mitigation strategies). These four meetings were followed by a meeting that focused on computational needs to support collaborative, data-intensive research within a distributed center as well as workforce development. A final meeting focused on establishing and maintaining preparedness within NVBBCC to respond to an emerging disease within bioenergy crops and how it would collaborate and coordinate with USDA and DHS.

09 BIOMASS FUELS↗
DOE OSTI2022

Packet router with virtual channel hop buffer control

An integrated circuit includes a network on chip (NOC) that includes a plurality of processing elements and a plurality of NOC nodes, interconnected to the plurality of processing elements. The integrated circuit includes logic that is configured to: increment by one, a virtual channel identifier to produce an incremented destination VC identifier, the virtual channel (VC) identifier associated with at least portion of a packet stored in at least one virtual channel buffer; determine that a destination virtual channel buffer corresponding to the incremented destination VC identifier in a destination NOC node in the NOC is available to store the portion of the packet; and in response to the determination, send the portion of the packet and the incremented destination VC identifier to the destination NOC node.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Adaptive, self-tuning virtual sensing system for cyber-attack neutralization

An industrial asset may have a plurality of monitoring nodes, each monitoring node generating a series of monitoring node values over time representing current operation of the industrial asset. An abnormality detection computer may determine that an abnormal monitoring node is currently being attacked or experiencing a fault. An autonomous, resilient estimator may continuously execute an adaptive learning process to create or update virtual sensor models for that monitoring node. Responsive to an indication that a monitoring node is currently being attacked or experiencing a fault, a level of neutralization may be automatically determined. The autonomous, resilient estimator may then be dynamically reconfigured to estimate a series of virtual node values based on information from normal monitoring nodes, appropriate virtual sensor models, and the determined level of neutralization. The series of monitoring node values from the abnormal monitoring node or nodes may then be replaced with the virtual node values.

Abbaszadeh, Masoud↗
DOE OSTI2023

Virtual supervisory control and data acquisition (SCADA) automation controller

One or more virtual supervisory control and data acquisition (SCADA) controllers are provided. The virtual SCADA controller(s) may be deployed upon a detection of a failure of a physical SCADA controller. An on-site module may detect failure including a security breach which causes the physical SCADA controller to be disconnected from a network and the virtual SCADA controller(s) to take over control. The virtual SCADA controller(s) may be on-site or off-site.

Smith, Jared M.↗
DOE OSTI2023

Modified Virtual Oscillator-Based Operation of Grid-Forming Converters with Single Voltage Sensor: Preprint

This paper proposes a virtual oscillator-based control architecture for a grid-forming converter with an inner current control loop. In general, the virtual oscillator is based on a Lienard type of oscillator equation with a cubic nonlinearity. A virtual oscillator alone cannot accommodate unbalanced or harmonic mitigation while operating converters in grid-forming mode. Therefore, to accomplish better tracking performance, incorporating the provision for nonlinear and/or unbalanced loads, an inner current control loop is utilized that is based on the Lyapunov energy function type control architecture. To reduce the overall cost of implementation and ensure proper phase difference in the generated voltages, the implemented virtual oscillator operates with only one voltage feedback from the point of common coupling. To verify the effectiveness of the proposed approach, the overall system has been modeled in MATTLAB/Simulink and PLECS domain. This paper also presents case studies showing the successful production of low harmonic load voltages under nonideal loading conditions, along with other important results.

dual second order generalized integrator↗
DOE OSTI2026

Structure–Property Relationships of Recycled Lithium-Ion Battery Cathodes: Microstructure Optimization Using Virtual Materials Testing

The increasing demand for sustainable battery technologies requires effective recycling strategies for end-of-life lithium-ion battery cathodes. In this study, virtual materials testing, a well-established framework for modeling conventionally manufactured NMC-based cathodes, is applied to partially recycled cathodes. To this end, virtual cathodes consisting of mixtures of pristine and recycled NMC particles are utilized to systematically analyze structure–property relationships depending on mixing ratios and different spatial arrangement strategies. For this purpose, a stochastic 3D model is developed that is capable of generating virtual cathodes with arbitrary volume fractions of active materials and mixing ratios of pristine and recycled NMC particles. Particularly, the stochastic 3D model can mimic the different size distributions of pristine and recycled particles that are observed in image data. Additionally, the model allows the structuring of pristine and recycled NMC either uniformly mixed or layer-wise arranged, mimicking single- and dual-layer cathodes. Subsequently, a systematic computational analysis is conducted to assess the influence of increasing active material ratios of recycled particles, ranging from 0 % to 100 %, while maintaining a constant overall active material volume fraction. The impact of particle mixing on cathode performance is evaluated by examining transport-relevant geometrical descriptors and effective properties, such as geodesic tortuosity, specific surface area, and tortuosity factor.

25 ENERGY STORAGE↗