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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

How Local Governments Can Buy Renewable Energy and Support Market Development

This webinar covers strategies local governments can consider to procure renewable energy and support renewable energy market development, including power purchase agreements (PPAs), virtual power purchase agreements (VPPAs), community solar, and more. This webinar also covers how the regulatory landscape impacts the RE purchasing options available to a particular community and highlight case studies from local governments across the U.S. that have successfully implemented these strategies, including Arlington, Virginia and Denver, Colorado. This webinar provides one AICP CM continuing education credit. Who: Chad Laurent, Esq., Principal, Cadmus Group; Jonathan Rogers, Renewable Energy Specialist, Office of Climate Action, Sustainability, Resiliency at the City and County of Denver; John Morrill, Energy Manager, Office of Sustainability & Environmental Management, Arlington County Department of Environmental Services

14 SOLAR ENERGY↗
DOE OSTI2023

Self-governing bearing assembly

A self-governing bearing assembly is disclosed. The self-governing bearing assembly includes a stator and a rotor. The stator includes a brake contacting surface. The stator is one of an outer ring and an inner ring. The rotor includes the other of the outer ring and the inner ring, brake pads, and a circular spring. The brake pads are positioned radially from the brake contacting surface and adapted to rotate with the other of the outer ring and the inner ring. Each of the brake pads includes a pad retention slot. The circular spring is positioned within the pad retention slot of each of the brake pads. The bearing elements are axially aligned with a first bearing portion of the stator and a second bearing portion of the rotor. The bearing elements are adapted to rotationally support the rotor relative to the stator.

Bolton, Justin T.↗
DOE OSTI2020

State & Local Government Data Centers

This fact sheet summarizes some of the key needs, barriers, and opportunities related to data center management and operations in the state and local government sector.

data center, data center management, local governm↗
DOE OSTI2021

Optimality versus reality: Closing the gap between renewable energy decision models and government deployment in the United States

Energy decision models are widely used to evaluate the technical and economic feasibility of renewable energy, as well as to help inform the deployment of these technologies. However, a gap exists between the optimal model solutions and what is deployed. This paper explores why these gaps exist in the public sector using the results of interviews with 20 federal, state, and city government agencies that have used the Renewable Energy Integration and Optimization (REopt™) model to inform energy decisions. We then propose adaptations to technical modeling capabilities, and communication of results, which may help increase clean energy deployment. This research may be useful to both analytical modelers and the organizations using such decision tools to inform policy, regulation, planning, and deployment of clean energy systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Waste-to-Energy Technical Assistance for Local Governments [Slides]

The Bioenergy Technologies Office (BETO) and the National Renewable Energy Laboratory (NREL) launched an organic Waste-to-Energy Technical Assistance Program for local governments. Organic waste streams, such as food waste and wastewater sludge, represent significant environmental, economic, and social sustainability challenges for municipalities. BETO has funded analyses assessing these waste streams and various aspects of their management, such as existing uses and costs of disposal. Given that these waste streams require local solutions, this technical assistance program provides municipalities with the most relevant data for their decision-making. BETO will fund up to 40 hours of subject matter assistance to municipalities topics. This presentation was made during an informational webinar for the DOE Bioenergy Technologies Office. The webinar recording is posted https://www.youtube.com/watch?v=QHVvpDw2uQc.

09 BIOMASS FUELS↗
DOE OSTI2025

Unveiling Atomistic Mechanisms Governing Additive Manufacturing Processability and Mechanical Behavior of a Refractory Complex Concentrated Alloy

Extending the concept of complex concentrated alloys (CCAs) to the refractory alloys (solidus temperature over 2000 °C) space potentially facilitates the design of lightweight structural alloys with service temperatures that exceed those of Ni and Co‐based alloys. However, the room and elevated temperature tensile properties of the current refractory‐CCAs (R‐CCAs) are inferior to those of the Ni/Co‐based alloys. Furthermore, the manufacturing scalability of R‐CCAs remains challenging, in that cracks are prevalent in all R‐CCAs when processed using near‐net shape manufacturing processes, such as fusion‐based additive manufacturing (F‐BAM). Still, mechanisms governing the poor F‐BAM processability of R‐CCAs remain unexplored. Here, to this end, this work unveils the atomistic mechanisms underlying F‐BAM process‐induced cracking in a NbTiTaMoHfZrC R‐CCA. The implications of light elements’ presence for intrinsic ductility and grain boundary cohesion, and subsequently for F‐BAM processability and mechanical behavior, are revealed. Leveraging the insights, we accomplish what is, to the best of the knowledge, the first instance of crack‐free F‐BAM processing of any R‐CCA. Additionally, the R‐CCA exhibits over 20% tensile ductility and ≈160 MPa tensile yield strength at 1200 °C. In addition to facilitating the design of lightweight R‐CCAs, findings enable scalable manufacturing of these ultra‐high temperature alloys for structural applications.

Refractory alloys↗
DOE OSTI2023

Derivative-based SINDy (DSINDy): Addressing the challenge of discovering governing equations from noisy data

Recent advances in the field of data-driven dynamics allow for the discovery of ODE systems using state measurements. One approach, known as Sparse Identification of Nonlinear Dynamics (SINDy), assumes the dynamics are sparse within a predetermined basis in the states and finds the expansion coefficients through linear regression with sparsity constraints. This approach requires an accurate estimation of the state time derivatives, which is not necessarily possible in the high-noise regime without additional constraints. We present an approach called Derivative-based SINDy (DSINDy) that combines two novel methods to improve ODE recovery at high-noise levels. First, we denoise the state variables by applying a projection operator that leverages the assumed basis for the system dynamics. Second, we use a second order cone program (SOCP) to find the derivative and governing equations simultaneously. We derive theoretical results for the projection-based denoising step, which allow us to estimate the values of hyperparameters used in the SOCP formulation. This underlying theory helps limit the number of required user-specified parameters. Finally, we present results demonstrating that our approach leads to improved system recovery for the Van der Pol oscillator, the Duffing oscillator, the Rössler attractor, and the Lorenz 96 model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Spatiotemporal Metabolic Network Models Reveal Complex Autotroph-Heterotroph Biofilm Interactions Governed by Photon Incidences

Autotroph-heterotroph interactions are ubiquitous in natural environment and play a key role in controlling various essential ecosystem functions, such as production and utilization of organic matter, cycling of nitrogen, sulfur, and other chemical elements. Understanding how these biofilm metabolic interactions are constrained in space and time remains challenging because fully predictive models designed for this purpose are currently limited. Toward filling this gap, here we developed community metabolic network models for two autotroph-heterotroph biofilm consortia (termed UCC-A and UCC-O), which share a suite of common heterotrophic members but have a single distinct photoautotrophic cyanobacterium (Phormidesmis priestleyi str. ANA and Phormidium sp. OSCR) that provides organic carbon and nitrogen sources to support the growth of heterotrophic partners. After determining model parameters by data fitting using the spatiotemporal distributions of microbial abundances, we comparatively analyzed the resulting biofilm models to examine any fundamental differences in microbial interactions between the two consortia under the variation of key environmental variables: CO2 and photon levels. The UCC-A model predicted generally expected responses, i.e., the autotroph population increased in response to elevated levels of CO2 and photon, followed by increase in the heterotroph population. In contrast, the UCC-O model showed somewhat complicated dynamics, e.g., higher photon incidence rates resulted in the increase in autotroph population but decrease in heterotroph population due to the lowered provision of glucose from the autotroph. A further analysis showed that species coexistence was governed by the photon incidences rather than the carbon availability for UCC-O, which was the opposite for UCC-A.

Phalak, Poonam↗
DOE OSTI2024

Multinuclear PFGSTE NMR description of 39 K, 23 Na, 7 Li, and 1 H specific activation energies governing diffusion in alkali nitrite solutions

While pulsed field gradient stimulated echo nuclear magnetic resonance (PFGSTE NMR) spectroscopy has found widespread use in the quantification of self-diffusivity for many NMR-active nuclei, extending this technique to uncommon nuclei with unfavorable NMR properties remains an active area of research. Potassium-39 ( 39 K) is an archetypical NMR nucleus exhibiting an unfavorable gyromagnetic ratio combined with a very low Larmor frequency. Despite these unfavorable properties, this work demonstrates that 39 K PFGSTE NMR experiments are possible in aqueous solutions of concentrated potassium nitrite. Further, analysis of the results indicates that 39 K NMR diffusometry is feasible when the nuclei exhibit spin–lattice and spin–spin relaxation coefficients on the order of 60–100 ms and 50–100 ms, respectively. The diffusivity of 39 K followed Arrhenius behavior, and comparative 23 Na, 7 Li, and 1 H PFGSTE NMR studies of equimolal sodium nitrite and lithium nitrite solutions led to correlations between the enthalpy of hydration with the activation energy governing self-diffusion of the cations and also of water. Realizing the feasibility of 39 K PFGSTE NMR spectroscopy has a widespread impact across energy sciences because potassium is a common alkali element in energy storage materials and other applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

How silicon and boron dopants govern the cryogenic scintillation properties of N -type GaAs

This work is the first report describing how the concentrations of silicon and boron govern the cryogenic scintillation properties of n-type GaAs. It shows that valence band holes are promptly trapped on radiative centers and then combine radiatively with silicon donor band electrons at rates that increase with the density of free carriers. It also presents the range of silicon and boron concentrations needed for efficient light emission under X-ray excitation, which along with its low band gap and apparent absence of afterglow, make scintillating GaAs suitable for the detection of rare, low-energy electronic excitations from interacting dark matter particles. A total of 29 samples from four different suppliers were studied. Luminosities and timing responses were measured for the four principal emission bands centered at 860, 930, 1070, and 1335 nm, and for the total emissions. Excitation pulses of 40 kVp X-rays were provided by a light-excited X-ray tube driven by an ultra-fast laser. Scintillation emissions from 800 to 1350 nm were measured using an InGaAs photomultiplier. Within the concentration ranges of free carriers from 2 x 10 16 /cm 3 to 6 x 10 17 /cm 3 and boron from 1.5 × 10 18 /cm 3 to 6 x 10 18 /cm 3 , nine samples have luminosities > 70 photons/keV and two have luminosities > 110 photons/keV. Other samples in that range have lower luminosities due to higher concentrations of non-radiative centers. The decay times decrease by typically a factor of ten with increasing free carrier concentrations from 10 17 /cm 3 to 2 x 10 18 /cm 3 .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Stakeholder analysis for designing an urban air quality data governance ecosystem in smart cities

Cities, the world over, are fuelling economic growth. At the same time, rapid urbanization is a root cause of serious environmental damage. Recent WHO global air pollution guidelines highlight air pollution as a critical environmental threat along with climate change. To address these threats, smart cities and clean air programs are on a rise. In smart cities, data and Information and Communication Technologies (ICT) are major drivers of city transformations. The 4th Industrial Revolution (4IR) technologies such as the Internet of Things (IoT), big data, artificial intelligence (AI), and cloud computing have the potential to accelerate these transformations toward urban resilience. However, the success of smart cities and clean air programs depends on cohesive multi-sector stakeholder contributions. This study conducted interdisciplinary participative stakeholder analysis to understand the data, and sectorial challenges, to outline the technological opportunities to facilitate clean air programs in Indian smart cities. The research highlights gaps due to siloed stakeholder operations, lack of data calibration, non-alignment of smart city and air quality management services, non-availability of health exposure data, and difficulty in translating scientific data into implementable actions. Stakeholders expressed potential ‘fit for the purpose’ use of IoT devices, satellites, smartphones, and mobility data augmented by AI methods in bridging these gaps. In conclusion, the analysis points toward a need to develop an easily accessible and ubiquitous urban data governance ecosystem enabling seamless cross-sector data exchanges to build trusting relationships among the stakeholders across the air quality management value chain.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Thermodynamic and Kinetic Mechanisms Governing the Synthesis of Nickel-Poor Cathodes

A deeper understanding of the thermodynamics and kinetics governing the lithiation and layering mechanisms of NMC cathode materials (LiNixMnyCozO 2 , where x + y + z = 1) offers valuable insights for enhancing synthesis methods and improving cathode performance. By employing atomistic and mesoscale approaches informed by in situ powder X-ray diffraction (PXRD) experiments, critical parameters for comprehending lithiation and layering processes and reaction rates were identified. The mesoscale approach captured the evolution of the phases and crystallite size observed in the in situ PXRD, revealing the differences in reaction rates with the use of different lithium salts and starting precursors. Ab initio molecular dynamics (AIMD) underscored the importance of vacancies and structural defects in promoting ion mobility and facilitating the nucleation of a layered domain. This nucleation disrupts the symmetry of disordered phases, ultimately creating a strained phase that serves as a buffer between layered and disordered regions. The lithiation and layering processes reflect a dynamic balance between the thermodynamic drive for a low-energy layered structure and the kinetic of diffusion, which is influenced by temperature and lithium vacancy concentration. Overall, reaction mechanisms are driven by the inherent defects of the intermediate phase that differ for NMC cathode materials. The lithium salts impact the rates of lithiation and layering, with a much slower process for Li 2 CO 3 .

25 ENERGY STORAGE↗
DOE OSTI2022

Coupled Interfacial and Bulk Kinetics Govern the Timescales of Multiphase Ozonolysis Reactions

Chemical transformations in aerosols impact the lifetime of particle phase species, the fate of atmospheric pollutants, and both climate- and health-relevant aerosol properties. Timescales for multiphase reactions of ozone in atmospheric aqueous phases are governed by coupled kinetic processes between the gas phase, the particle interface, and its bulk, which respond dynamically to reactive consumption of O 3 . However, models of atmospheric aerosol reactivity often do not account for the coupled nature of multiphase processes. Herein, to examine these dynamics, we use new and prior experimental observations of aqueous droplet reaction kinetics, including three systems with a range of surface affinities and ozonolysis rate coefficients ( trans -aconitic acid (C 6 H 6 O 6 ), maleic acid (C 4 H 4 O 4 ), and sodium nitrite (NaNO 2 )). Using literature rate coefficients and thermodynamic properties, we constrain a simple two-compartment stochastic kinetic model which resolves the interface from the particle bulk and represents O 3 partitioning, diffusion, and reaction as a coupled kinetic system. Our kinetic model accurately predicts decay kinetics across all three systems, demonstrating that both the thermodynamic properties of O 3 and the coupled kinetic and diffusion processes are key to making accurate predictions. An enhanced concentration of adsorbed O 3 , compared to gas and bulk phases is rapidly maintained and remains constant even as O 3 is consumed by reaction. Multiphase systems dynamically seek to achieve equilibrium in response to reactive O 3 loss, but this is hampered at solute concentrations relevant to aqueous aerosol by the rate of O 3 arrival in the bulk by diffusion. As a result, bulk-phase O 3 becomes depleted from its Henry's law solubility. This bulk-phase O 3 depletion limits reaction timescales for relatively slow-reacting organic solutes with low interfacial affinity (i.e., trans-aconitic and maleic acids, with k rxn ≈ 10 3 -10 4 M -1 s -1 ), which is in contrast to fast-reacting solutes with higher surface affinity (i.e., nitrite, with k rxn ≈ 10 5 M -1 s -1 ) where surface reactions strongly impact the observed decay kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Experimental and Computational Mechanisms that Govern Long-Term Stability of CO 2 -Adsorbed ZIF-8-Based Porous Liquids

Porous liquids (PLs) based on the zeolitic imidazole framework ZIF-8 are attractive systems for carbon capture since the hydrophobic ZIF framework can be solvated in aqueous solvent systems without porous host degradation. However, solid ZIF-8 is known to degrade when exposed to CO 2 in wet environments, and therefore the long-term stability of ZIF-8-based PLs is unknown. Here, through aging experiments, the long-term stability of a ZIF-8 PL formed using the water, ethylene glycol, and 2-methylimidazole solvent system was systematically examined, and the mechanisms of degradation were elucidated. The PL was found to be stable for several weeks, with no ZIF framework degradation observed after aging in N 2 or air. However, for PLs aged in a CO 2 atmosphere, formation of a secondary phase occurred within 1 day from the degradation of the ZIF-8 framework. From the computational and structural evaluation of the effects of CO 2 on the PL solvent mixture, it was identified that the basic environment of the PL caused ethylene glycol to react with CO 2 forming carbonate species. These carbonate species further react within the PL to degrade ZIF-8. The mechanisms governing this process involves a multistep pathway for PL degradation and lays out a long-term evaluation strategy of PLs for carbon capture. Additionally, it clearly demonstrates the need to examine the reactivity and aging properties of all components in these complex PL systems in order to fully assess their stabilities and lifetimes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Node-Solution Microenvironment Governs the Selectivity of Thioanisole Oxidation within Catalytic Zr-Based Metal–Organic Framework

Lewis acidic metal oxides, including zirconia (ZrO 2 ), are catalytically active toward oxidative reactions in the presence of sacrificial oxidants like t-butyl hydroperoxide (TBHP). The structural ambiguity and heterogeneity of the ZrO 2 surface impose challenges to chemists in understanding the reaction mechanism down to atomic-level precision. The inorganic, Zr-oxo nodes of many crystalline metal–organic frameworks (MOFs) structurally mimic ZrO 2 . Herein, we report three novel findings: (A) Zr-based MOF, Zr-MOF-808 is catalytically competent in activating TBHP to induce oxygen atom transfer (OAT) reactions to a model substrate, thioanisole, at room temperature, (B) its reaction mechanism can be derived with greater structural precision owing to the crystallinity of the MOF, and (C) the node-binding agent and other reaction conditions significantly impact the selectivity between the singly oxidized methyl phenyl sulfoxide vs the doubly oxidized sulfone. These findings suggest that both the activity and selectivity of OAT reactions within Zr-MOF-808 are governed by the chemistry occurring at the interface of the node and the surrounding reaction medium. Implications of these findings in OAT reactions and other MOF/metal oxide-catalyzed relevant catalysis are discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Coupled Interfacial Kinetics and Transport Resistances Govern High-Current Behavior in Bipolar Membranes

Bipolar membranes (BPMs) enable electrochemical systems that operate across large pH gradients; however, high-current operation is often limited by voltage losses whose origins remain difficult to resolve in membrane−electrode assemblies. Here, we combine electrochemical impedance spectroscopy with distribution of relaxation times (EIS–DRT) analysis and operando synchrotron X-ray diffraction to examine interfacial polarization, membrane hydration, and transport in commercial and synthesized BPMs. EIS–DRT isolates the BPM-associated interfacial contribution and shows that the commercial BPM exhibits larger water-dissociation-associated overpotentials than the synthesized BPM. Operando hydration mapping shows that both membranes retain water at the bipolar junction during high-current operation, while anode-adjacent hydration gradients are more pronounced in the commercial membrane. These results indicate that high-current voltage losses are not governed by junction water starvation alone but by coupled interfacial polarization and transport resistances.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Factors Governing Oxygen Vacancy Formation in Oxide Perovskites

The control of oxygen vacancy (V O ) formation is critical to advancing multiple metal-oxide-perovskite-based technologies. In this work, we report the construction of a compact linear model for the neutral V O formation energy in ABO 3 perovskites that reproduces, with reasonable fidelity, Hubbard-U-corrected density functional theory calculations based on the state-of-the-art, strongly constrained and appropriately normed exchange-correlation functional. We obtain a mean absolute error of 0.45 eV for perovskites stable at 298 K, an accuracy that holds across a large, electronically diverse set of ABO 3 perovskites. Our model considers perovskites containing alkaline-earth metals (Ca, Sr, and Ba) and lanthanides (La and Ce) on the A-site and 3d transition metals (Ti, V, Cr, Mn, Fe, Co, and Ni) on the B-site in six different crystal systems (cubic, tetragonal, orthorhombic, hexagonal, rhombohedral, and monoclinic) common to perovskites. Physically intuitive metrics easily extracted from existing experimental thermochemical data or via inexpensive quantum mechanical calculations, including crystal bond dissociation energies and (solid phase) reduction potentials, are key components of the model. Beyond validation of the model against known experimental trends in materials used in solid oxide fuel cells, the model yields new candidate perovskites not contained in our training data set, such as (Bi,Y)(Fe,Co)O 3 , which we predict may have favorable thermochemical water-splitting properties. The confluence of sufficient accuracy, efficiency, and interpretability afforded by our model not only facilitates high-throughput computational screening for any application that requires the precise control of V O concentrations but also provides a clear picture of the dominant physics governing V O formation in metal-oxide perovskites.

08 HYDROGEN↗