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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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At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Reducing Grid Costs while Abating Emissions: Opportunities for Flexible Building Loads

This study evaluates the value of technology-agnostic, shiftable flexible building loads in modeled 2030 and 2040 U.S. grids for four types of customers under three potential aggregated distributed energy resources programs. The value examined includes monetary value from providing grid services (e.g., energy, capacity, flexibility reserve, regulation reserve, contingency reserve) and from reducing greenhouse gas emissions. By comparing more than 845,164,800 simulated shifting opportunities, the study finds that the timing of consumption is critical for profit-driven customers. A program that is activated for 30 critical hours of system operation can result in to $73 per year in revenue for 1 kWh of shiftable load. Emission reduction, on the other hand, is best accumulated through a year-round program: 1 kWh of shiftable load can lead to up to 487.9 kg CO2e carbon reduction per year. The report also provides detailed insights on the trade-off between revenue and emissions, regional variation, short- versus medium- term value, and impacts from various building flexibility parameters, such as shifting window and dissipation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Integrated structural model of the palladin–actin complex using XL ‐ MS , docking, NMR , and SAXS

Abstract Palladin is an actin‐binding protein that accelerates actin polymerization and is linked to the metastasis of several types of cancer. Previously, three lysine residues in an immunoglobulin‐like domain of palladin have been identified as essential for actin binding. However, it is still unknown where palladin binds to F‐actin. Evidence that palladin binds to the sides of actin filaments to facilitate branching is supported by our previous study showing that palladin was able to compensate for Arp2/3 in the formation of Listeria actin comet tails. Here, we used chemical crosslinking to covalently link palladin and F‐actin residues based on spatial proximity. Samples were then enzymatically digested, separated by liquid chromatography, and analyzed by tandem mass spectrometry. Peptides containing the crosslinks and specific residues involved were then identified for input to the HADDOCK docking server to model the most likely binding conformation. Small‐angle x‐ray scattering was used to provide further insight into palladin flexibility and the binding interface, and NMR spectra identified potential interactions between palladin's Ig domains. Our final structural model of the F‐actin:palladin complex revealed how palladin interacts with and stabilizes F‐actin at the interface between two actin monomers. Three actin residues that were identified in this study also appear commonly in the actin‐binding interface with other proteins such as myotilin, myosin, and tropomodulin. An accurate structural representation of the complex between palladin and actin extends our understanding of palladin's role in promoting cancer metastasis through the regulation of actin dynamics.

Sargent, Rachel [Department of Chemistry and Bioch↗
DOE OSTI2025

Automated Redox Titrations via Interdigitated Electrode Arrays: Application to the Mediated Electron Transfer Interrogation of Charge and Rate on Electrodeposited Polymers

Mediated electron transfer (MET) plays a crucial role in energy storage and conversion technologies such as redox targeting flow batteries (RTFBs), yet its experimental investigation often requires labor-intensive and low-throughput setups. To address this, we developed a microfabricated interdigitated electrode array (IDA) platform that enables automated, high-throughput electrochemical redox titration measurement to be performed to study the MET process. Our redox titration method enables simultaneous measurement of the charge capacity and rate of MET processes on a material or surface. Automated redox titration (ART) facilitates systematic investigation of the MET process across a broad parameter space, exemplified through the study of polypyrrole (PPy) and a pyrene-4,5,9,10-tetrone azo group-based polymer (PTAP), both redox-active polymers relevant to various energy storage applications. Using PPy as a model material, 500 redox titration measurements were conducted within 50 h, varying the electrode gap widths, polymer charging potentials, voltammetric scan rates, and electrolyte concentrations. Finite-element simulations confirmed the electrochemical responses and elucidated the kinetics of the MET reactions. Our automated methodology was further tested with PTAP, revealing a surprising charging potential dependence on the rate of MET. The automation, flexibility, and scalability of our redox titration platform pave the way not only for advanced studies of MET processes relevant to RTFBs, but also with implications in the understanding of next-generation energy storage materials, molecular electrocatalysis, and biosensing.

electrochemical analysis↗
DOE OSTI2023

Fast and flexible control of beam longitudinal phase space for high-repetition-rate x-ray free-electron lasers

The wide-ranging requirements for the photon properties from multiple beamlines in superconducting based free-electron lasers (FELs) demand more challenging beam manipulation techniques. Shot-by-shot control of electron beam bunch length and peak current at high repetition rate up to megahertz is highly desired. In this paper, we present a comprehensive study of a method based on a 2-m-long normal conducting radio-frequency cavity to achieve fast and flexible control of beam compression and realize the full potential of the facility, including theoretical analysis, beam dynamics simulations, and conceptual cavity design for the Linac Coherent Light Source II and its high-energy upgrade. We illustrate the physical mechanism of the chirping cavity on the control of the final beam compression and propose methods to lower the requirements for the cavity parameters. The application of this method will allow tailored photon properties of individual beamlines to optimize their performance and drastically improve the multiplexing capabilities of a high-repetition rate FEL facility.

42 ENGINEERING↗
DOE OSTI2023

Verification methods for drift–diffusion reaction models for plasma simulations

Abstract Compared to other computational physics areas such as codes for general computational fluid dynamics, the documentation of verification methods for plasma fluid codes remains under developed. Current analytical solutions for plasma are often highly limited in terms of testing highly coupled physics, due to the harsh assumptions needed to derive even simple plasma equations. This work highlights these limitations, suggesting the method of manufactured solutions (MMSs) as a potential option for future verification efforts. To demonstrate the flexibility of MMS in verifying these highly coupled systems, the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework was utilized. Thanks to the MOOSE framework’s robustness and modularity, as well as to its physics module capabilities and ecosystem applications (i.e. Zapdos and the chemical reaction network) developed for plasma physics modeling and simulation, this report lays the groundwork for a structured method of conducting plasma fluid code verification.

DeChant, Corey (ORCID:0000000293779732)↗
DOE OSTI2020

Innovative rail transport of a supersized land-based wind turbine blade

Wind turbine blade logistic providers are being challenged with escalating costs and routing complexities as one-piece blade approach lengths of 75 m in various regions of the U.S. land-based market. New lower cost solutions are needed to enable further reductions in the levelized cost of energy (LCOE) and continued market expansion. In this paper, a novel method of using existing U.S. rail infrastructure to deploy 100-m, one-piece blades to U.S. land-based wind sites is numerically investigated. The study removes the constraint that blades must be kept rigid during transport, and it allows bending to keep blades within a clearance profile while navigating horizontal and vertical curvatures. Novel system optimization and blade design processes consider blade structural constraints and rail logistic constraints in parallel to develop a highly flexible, rail-transportable blade. Results indicate maximum deployment potential in the Interior region of the United States and limited deployment potential in other regions. The study concludes that innovative rail transportation solutions combined with advanced rotor technologies can provide a feasible alternative to segmentation and support continued LCOE reductions in the U.S. land-based wind energy market.

17 WIND ENERGY↗
DOE OSTI2021

via machinae : Searching for stellar streams using unsupervised machine learning

ABSTRACT We develop a new machine learning algorithm, via machinae, to identify cold stellar streams in data from the Gaia telescope. via machinae is based on ANODE, a general method that uses conditional density estimation and sideband interpolation to detect local overdensities in the data in a model agnostic way. By applying ANODE to the positions, proper motions, and photometry of stars observed by Gaia, via machinae obtains a collection of those stars deemed most likely to belong to a stellar stream. We further apply an automated line-finding method based on the Hough transform to search for line-like features in patches of the sky. In this paper, we describe the via machinae algorithm in detail and demonstrate our approach on the prominent stream GD-1. Though some parts of the algorithm are tuned to increase sensitivity to cold streams, the via machinae technique itself does not rely on astrophysical assumptions, such as the potential of the Milky Way or stellar isochrones. This flexibility suggests that it may have further applications in identifying other anomalous structures within the Gaia data set, for example debris flow and globular clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Multilevel Techniques for Compression and Reduction of Scientific Data---The Unstructured Case

Previous work on multilevel techniques for compression and reduction of scientific data is extended to the case of data given on unstructured meshes in two and three dimensions. The centerpiece of the work is a decomposition algorithm which is shown to be optimal, in terms of both storage and operational complexity, applicable to unstructured grids in both two and three dimensions, and which implicitly gives a Riesz basis that can be exploited to reduce the data while maintaining rigorous bounds on the loss incurred. The flexibility of the approach is illustrated by applications to potential flow around an airfoil and the effect of compression on quantities of interest relevant to airfoil design; compression of computational simulation of a nonlinear reaction-diffusion system with special attention given to the problem of time series reduction; and, data from a simulation of magnetically confined plasma in a fusion reactor reduced so as to preserve the electric field computed from the data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Multi-Physics Topology Optimization for Dual Flow Heat Exchangers

Current heat exchanger (HX) designs are subjected to strict constraints pertaining to their manufacturability through conventional lengthy and expensive processes consisting of subtractive, forming and brazing processes. Therefore, existing HXs are typically restricted to the classical and rather simple geometries, such as plate-fin or shell-tube geometries, with lower efficiency and larger size. To increase HX efficiencies, novel designs are needed. Recent advances in topology optimization (TO) and additive manufacturing (AM) offer significant flexibility in design and fabrication of complex geometries, with potentially superior thermo-mechanical performance and high-power density. On the other hand, there is no commercially available software tool that addresses the combined coupling of structural, fluid dynamics, and thermal with multiple materials (hot and cold streams, solid, and void space) in TO of HXs. The goal of this project is to develop a multi-physics multi-phase TO approach to enhance the performance of HXs. The optimized design will be additively manufactured and tested in a physical environment to quantify its performance.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Achieving a Net-Zero Future: The Role of Nuclear Energy

Governments and private industry around the world have established aggressive goals to achieve net-zero emissions for the power, industrial, and transportation sectors by 2050. These aggressive goals demand immediate action if we are to be successful, and they require us to think more holistically about our clean energy options. Programs within the U.S. Department of Energy (DOE) are addressing these holistic solutions. Traditionally, electricity generation and management are considered independently from meeting energy demands for industry and transportation. As we seek to eliminate emissions across all energy use sectors we need to reassess how energy demands are met. When we consider overall energy use, only one-third is in the form of electricity. Additional energy demands are in the form of heat or steam for industrial processes, in addition to direct fuel use for transportation. These sectors are much harder to abate, and electrification may not be the best option. Reducing environmental emissions at an affordable cost, while maintaining grid reliability and resilience, will require us to leverage all of the clean energy resources available. The DOE Office of Nuclear Energy (DOE-NE) program on Integrated Energy Systems (IES) is led by researchers at Idaho National Laboratory (INL), and work is conducted in partnership with an array of other DOE laboratories, industry, and academia. The primary focus of IES research is to assess the technical and economic potential of nuclear-driven IES to enhance the flexibility and utilization of nuclear reactors working alongside renewable generators to meet an array of energy demands—thereby maximizing the utilization of clean energy resources across all energy sectors. Various energy applications and product streams beyond electricity are being evaluated, ranging from generation of potable water to production of hydrogen, fertilizers, synthetic fuels, and various chemicals. The DOE-NE program additionally partners with the Hydrogen and Fuel Cell Technologies Office under the DOE Office of Energy Efficiency and Renewable Energy to jointly fund the development of analysis tools, technologies, and nuclear-integrated hydrogen demonstration projects. This presentation will highlight the wide array of R&D being conducted across multiple DOE-funded programs to develop and deploy nuclear-based IES that will be key to achieving our net-zero goals. By working with key collaborators in the nuclear industry, analytical studies are now becoming a reality in demonstration projects.

08 HYDROGEN↗
DOE OSTI2020

Fabrication of flexible perovskite solar cells via rapid thermal annealing

Adaptability, lightweight, and low cost of materials make flexible perovskite solar cells essential for the perovskite technology to breach commercial photovoltaic markets. Roll-to-roll manufacturing has great potential for high-throughput perovskite manufacturing; however, conventional annealing methods are not capable of producing flexible perovskite solar cells at scale. Conventional methods are time consuming and may compromise functionality of flexible substrates under tension. Here, we introduce a bladecoated perovskite thin film on flexible ITO-coated PET annealed via rapid thermal annealing (RTA) that reduces post-deposition processing time from ~150 s to ~14 s. As a result, performance was not sacrificed for scalability as a perovskite solar cell was produced with a power conversion efficiency (PCE) of 14.58%.

14 SOLAR ENERGY↗
DOE OSTI2026

Shadow molecular dynamics for flexible multipole models

Shadow molecular dynamics provide an efficient and stable atomistic simulation framework for flexible charge models with long-range electrostatic interactions. Shadow molecular dynamics simulations are driven by approximate “shadow” Born–Oppenheimer potentials for which the exact charges and forces are directly accessible without relying on costly (and approximate) iterative solvers. While previous implementations have been limited to atomic monopole charge distributions, we extend this approach to flexible multipole models. We derive detailed expressions for the shadow energy functions, potentials, and force terms, explicitly incorporating monopole–monopole, dipole–monopole, and dipole–dipole interactions. In our formulation, both atomic monopoles and atomic dipoles are treated as extended dynamical variables alongside the propagation of the nuclear degrees of freedom. We demonstrate that introducing the additional dipole degrees of freedom preserves the stability and accuracy previously seen in monopole-only shadow molecular dynamics simulations. In addition, we present a shadow molecular dynamics scheme where the monopole charges are held fixed while the dipoles remain flexible. Our extended shadow dynamics provide a framework for stable, computationally efficient, and versatile molecular dynamics simulations involving long-range interactions between flexible multipoles. This is of particular current interest in combination with machine-learned interatomic potentials, including long-range electrostatic interactions.

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

Low-Power, Flexible Sensor Arrays with Solderless Board-to-Board Connectors for Monitoring Soil Deformation and Temperature: Supporting Data

This dataset was used to assess the potential of a Soil Deformation and Temperature Monitoring System developed and presented in the article named "Low-Power, Flexible Sensor Arrays with Solderless Board-to-Board Connectors for Monitoring Soil Deformation and Temperature" and published in Sensors. There are 21 comma-delimited data files (.csv). 14 files contain current measurements performed in a lab setting, enabling the electrical evaluation of the sensor probe. These files are generated by the Keithley DMM6500 multimeter, and list the measured supply current (first column) as a function of time (3rd column). Another set of 6 files is also acquired in lab experiments, but contain soil temperature an deformation measurements, enabling an assessment of the developed device's accuracy. In these files, the first column contains the time (UTC), followed by the sensor's battery voltage and temperature and acceleration values (X, Y, Z) in subsequent columns. The measurements were acquired every 5 seconds. Another .csv file contains field data in a similar format (time, temperature, acceleration) collected at the Teller road (mile 27) site near Nome, Alaska with one probe. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Potential Disposition Options for a Salt Fueled Molten Salt Reactor At the INL (A White Paper)

The molten salt reactor (MSR) design concept has been the focus of significant research and development efforts, both in the U.S. and around the world. There are generally two types of MSRs, salt fueled MSRs that have the fuel dissolved within the salt and solid fueled MSRs that only use the molten salt as a coolant. The range of conceptual designs and the flexibility of operations of MSRs results in a wide range of potential waste streams from salt fueled MSRs; all of which require safe and secure storage and eventual disposition. This white paper will 1) survey the range of salt fueled MSR designs, 2) recognize the implications of design, on the resulting waste streams, and 3) identify the definitions and regulations that apply to the safe and secure management, storage, and disposal of these streams. Research in MSR waste streams is young and the focus of intense research that requires more funding and time to become mature enough to fully support design decisions. Once a specific design is selected, a more detailed management and disposition effort must be performed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Shadow molecular dynamics and atomic cluster expansions for flexible charge models

A shadow molecular dynamics scheme for flexible charge models is presented, where the shadow Born-Oppenheimer potential is derived from a coarse-grained approximation of range-separated density functional theory. The interatomic potential, including the atomic electronegativities and the charge-independent short-range part of the potential and force terms, are modeled by the linear atomic cluster expansion (ACE), which provides a computationally efficient alternative to many machine learning methods. The shadow molecular dynamics scheme is based on extended Lagrangian (XL) Born-Oppenheimer molecular dynamics (BOMD) [Eur. Phys. J. B 94, 164 (2021)]. XL-BOMD provides a stable dynamics, while avoiding the costly computational overhead associated with solving an all-to-all system of equations, which normally is required to determine the relaxed electronic ground state prior to each force evaluation. To demonstrate the proposed shadow molecular dynamics scheme for flexible charge models using the atomic cluster expansion, we emulate the dynamics generated from self-consistent charge density functional tight-binding (SCC-DFTB) theory using a second-order charge equilibration (QEq) model. The charge-independent potentials and electronegativities of the QEq model are trained for a supercell of uranium oxide (UO2) and a molecular system of liquid water. The combined ACE + XL-QEq dynamics are stable over a wide range of temperatures both for the oxide and the molecular systems, and provide a precise sampling of the Born-Oppenheimer potential energy surfaces. Accurate ground Coulomb energies are produced by the ACE-based electronegativity model during an NVE simulation of UO 2 , predicted to be within 1 meV of those from SCC-DFTB on average during comparable simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

Hydropower flexibility valuation tool for flow requirement evaluation

Timing of generation is becoming more and more valuable. This creates greater potential tension between environmental and power system objectives since both systems require their own flow patterns. Identifying win–win outcomes in this context requires being able to discuss the value of flexibility across stakeholder groups. This research proposes a two-stage optimization method to understand hydropower flexibility to meet both environmental and power system requirements. The tool simulates the two-settlement market process in the U.S. by maximizing revenues from both the day-ahead and real-time markets, subject to plant operational limits, regulatory flow and ramping requirements, and uncertainties associated with water availability and market prices. The model is formulated as linear programming problems and solved using IBM ILOG CPLEX optimizer. By examining a range of flow requirements, ramping constraints, and storage capacities, the proposed tool shows how to make more informed decisions to weigh the cost of specific flow requirements in the context of the overall license requirements. Results from the case study show that revenue is more sensitive to the ramping constraints than the minimum flow constraints. We also demonstrate that removing flow constraints in a dry month increases monthly revenue by up to 118%, as opposed to only 1% in a wet month. In addition, our results suggest that using a learning-based water flow forecast results in an increase of monthly revenue up to 6.4% compared with persistence forecast.

13 HYDRO ENERGY↗
DOE OSTI2025

Risks and Benefits of Pressurized Water Reactor Coupling to Energy Storage and Water Desalination

This research explored potential options to improve nuclear pressurized water reactors’ (PWRs) operational flexibility through integration with thermal energy storage (TES) and water desalination technologies. Benefits and challenges of TES technologies were reviewed, which includes sensible heat storage systems, latent heat storage systems, and thermochemical storage systems. Water desalination technologies were reviewed and compared, which includes multi-stage flash, reverse osmosis, and multi-effect distillation. The multi-effect distillation technology was selected to be coupled with a generic PWR. Risk of this cogeneration was quantified using the probabilistic risk assessment (PRA) methodology. Results suggest that nuclear-desalination cogeneration can be done safely because the additional risk to the PWR is trivial, and even in certain cases the PWR risk is decreased. This cogeneration operation is expected to improve efficiency of thermal utilization and the nuclear plant’s revenues. In summary, this study supports the potential of nuclear-desalination cogeneration systems to address water scarcity while optimizing nuclear energy use and managing safety.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗