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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Long-Term Stability of Nicotinamide Cofactors in Common Aqueous Buffers: Implications for Cell-Free Biocatalysis

The use of nicotinamide cofactors in cell-free biocatalytic systems is necessitated by the high specificity that these enzymes show for their natural redox mediators. Unfortunately, isolation and use of natural cofactors is costly, which suggests that enhancing their stability is key to enabling their use in industrial processes. This study details NAD+ and NADH stability in three buffer systems (sodium phosphate, HEPES, and Tris) at 19 °C and 25 °C and for up to 43 d. In Tris, both NADH and NAD+ were found to be highly stable. NADH degradation rates of 4 μM/d (19 °C) and 11 μM/d (25 °C) were observed in Tris buffer, corresponding to >90% and 75% remaining after 43 d, respectively. Higher degradation rates (up to 34 μM/d) were observed when sodium phosphate or HEPES buffers were used. The effect of a mild increase in temperature was determined to be significant for long-term stability, and it was shown that degradation under these conditions can be easily monitored via UV–Vis, because the degradation proceeds via the oxidation/de-aromatization of the dihydropyridine ring. Overall, this work emphasizes that the choice of buffer system is consequential for bioreactor systems employing natural nicotinamide cofactors for extended periods of time.

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

A Novel Three-Phase Isolated LLC and Non-Isolated LCL-T Resonant Converter for Fuel Cell Applications

In this paper, a novel three-phase isolated LLC and non-isolated LCL−T resonant converter topologies are introduced for fuel cell applications. In order to improve the fuel cell DC/DC converter efficiency, the current amplitude should be reduced in the power stage components. Cascaded connections of fuel cell blocks through a controllable system enable using higher voltage amplitude and bring the current amplitude lower at the target power. In this way, power losses in the passive components can be reduced, and maximum energy transfer can be established, improving the DC/DC converter efficiency from the fuel cell to the load. The introduced new converter also achieves soft switching (ZVS), minimizing the switching losses in all input and output load conditions. The presented three-phase isolated LLC and non-isolated LCL−T resonant converter systems, fed by three fuel cell modules with an output range of 190380 V, deliver 580−730 V at 450 kW maximum output power. The results reveal that the proposed systems have the advantage of reducing the size, volume, and weight and increasing the overall DC/DC converter system efficiency compared to the single-phase systems.

Asa, Erdem [ORNL] (ORCID:0000000190884812)↗
DOE OSTI2022

An Isolated Stellar-mass Black Hole Detected through Astrometric Microlensing

We report the first unambiguous detection and mass measurement of an isolated stellar-mass black hole (BH). We used the Hubble Space Telescope (HST) to carry out precise astrometry of the source star of the long-duration (t E ≃ 270 days), high-magnification microlensing event MOA-2011-BLG-191/OGLE-2011-BLG-0462 (hereafter designated as MOA-11-191/OGLE-11-462), in the direction of the Galactic bulge. HST imaging, conducted at eight epochs over an interval of 6 yr, reveals a clear relativistic astrometric deflection of the background star's apparent position. Ground-based photometry of MOA-11-191/OGLE-11-462 shows a parallactic signature of the effect of Earth's motion on the microlensing light curve. Combining the HST astrometry with the ground-based light curve and the derived parallax, we obtain a lens mass of 7.1 ± 1.3 M ⊙ and a distance of 1.58 ± 0.18 kpc. We show that the lens emits no detectable light, which, along with having a mass higher than is possible for a white dwarf or neutron star, confirms its BH nature. Our analysis also provides an absolute proper motion for the BH. The proper motion is offset from the mean motion of Galactic disk stars at similar distances by an amount corresponding to a transverse space velocity of ~45 km s -1 , suggesting that the BH received a "natal kick" from its supernova explosion. Previous mass determinations for stellar-mass BHs have come from radial velocity measurements of Galactic X-ray binaries and from gravitational radiation emitted by merging BHs in binary systems in external galaxies. Our mass measurement is the first for an isolated stellar-mass BH using any technique.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Hydrazine-free precursor for solution-processed all-inorganic Se and Se 1− x Te x photovoltaics

Selenium (Se) has reemerged as a promising absorber material for indoor and tandem photovoltaics (PVs), and its alloys with Te (Se 1−x Te x ) offer a widely tunable bandgap. Solution processing of this materials system offers a route to low-cost fabrication. However, solution processing of Se has, thus far, only used hydrazine, which is an extremely hazardous solvent. In this work, we prepare and isolate propylammonium poly-Se and poly-Se–Te precursors from a safer thiol-amine solvent system. We formulate molecular inks by dissolving the precursor in dimethylformamide (DMF) with a monoethanolamine (EA) additive and process high-quality Se and Se 1−x Te x films with bandgaps ranging from 1.20 eV to 1.86 eV. We fabricate PVs from these films using TiO 2 and MoO 3 charge transport layers (CTLs) to achieve power conversion efficiencies as high as 2.73% for Se and 2.33% for Se 0.7 Te 0.3 under solar simulation. Se devices show excellent stability with no degradation after 1 month in air, enabled by the excellent stability of Se and the use of inorganic CTLs. This work represents an important step towards low-cost solution-phase processing of Se and Se 1−x Te x alloys for PVs and photodetectors with low toxicity and high bandgap tunability.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthetic Biology Toolbox for Nitrogen-Fixing Soil Microbes

The soil environment adjacent to plant roots, termed the rhizosphere, is home to a wide variety of microorganisms that can significantly affect the physiology of nearby plants. Microbes in the rhizosphere can provide nutrients, secrete signaling compounds, and inhibit pathogens. These processes could be manipulated with synthetic biology to enhance the agricultural performance of crops grown for food, energy, or environmental remediation, if methods can be implemented in these nonmodel microbes. A common first step for domesticating nonmodel organisms is the development of a set of genetic engineering tools, termed a synthetic biology toolbox. A toolbox comprises transformation protocols, replicating vectors, genome engineering (e.g., CRISPR/Cas9), constitutive and inducible promoter systems, and other gene expression control elements. Furthermore, this work validated synthetic biology toolboxes in three nitrogen-fixing soil bacteria: Azotobacter vinelandii, Stutzerimonas stutzeri (Pseudomonas stutzeri), and a new isolate of Klebsiella variicola. All three organisms were amenable to transformation and reporter protein expression, with several functional inducible systems available for each organism. S. stutzeri and K. variicola showed more reliable plasmid-based expression, resulting in successful Cas9 recombineering to create scarless deletions and insertions. Using these tools, we generated mutants with inducible nitrogenase activity and introduced heterologous genes to produce resorcinol products with relevant biological activity in the rhizosphere.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Magnon-mediated qubit coupling determined via dissipation measurements

Controlled interaction between localized and delocalized solid-state spin systems offers a compelling platform for on-chip quantum information processing with quantum spintronics. Hybrid quantum systems (HQSs) of localized nitrogen-vacancy (NV) centers in diamond and delocalized magnon modes in ferrimagnets—systems with naturally commensurate energies—have recently attracted significant attention, especially for interconnecting isolated spin qubits at length-scales far beyond those set by the dipolar coupling. However, despite extensive theoretical efforts, there is a lack of experimental characterization of the magnon-mediated interaction between NV centers, which is necessary to develop such hybrid quantum architectures. Here, we experimentally determine the magnon-mediated NV–NV coupling from the magnon-induced self-energy of NV centers. Our results are quantitatively consistent with a model in which the NV center is coupled to magnons by dipolar interactions. This work provides a versatile tool to characterize HQSs in the absence of strong coupling, informing future efforts to engineer entangled solid-state systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Long-lived electronic spin qubits in single-walled carbon nanotubes

Abstract Electron spins in solid-state systems offer the promise of spin-based information processing devices. Single-walled carbon nanotubes (SWCNTs), an all-carbon one-dimensional material whose spin-free environment and weak spin-orbit coupling promise long spin coherence times, offer a diverse degree of freedom for extended range of functionality not available to bulk systems. A key requirement limiting spin qubit implementation in SWCNTs is disciplined confinement of isolated spins. Here, we report the creation of highly confined electron spins in SWCNTs via a bottom-up approach. The record long coherence time of 8.2 µs and spin-lattice relaxation time of 13 ms of these electronic spin qubits allow demonstration of quantum control operation manifested as Rabi oscillation. Investigation of the decoherence mechanism reveals an intrinsic coherence time of tens of milliseconds. These findings evident that combining molecular approaches with inorganic crystalline systems provides a powerful route for reproducible and scalable quantum materials suitable for qubit applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Total Power Factor Smart Contract with Cyber Grid Guard Using Distributed Ledger Technology for Electrical Utility Grid with Customer-Owned Wind Farm

In modern electrical grids, the numbers of customer-owned distributed energy resources (DERs) have increased, and consequently, so have the numbers of points of common coupling (PCC) between the electrical grid and customer-owned DERs. The disruptive operation of and out-of-tolerance outputs from DERs, especially owned DERs, present a risk to power system operations. A common protective measure is to use relays located at the PCC to isolate poorly behaving or out-of-tolerance DERs from the grid. Ensuring the integrity of the data from these relays at the PCC is vital, and blockchain technology could enhance the security of modern electrical grids by providing an accurate means to translate operational constraints into actions/commands for relays. This study demonstrates an advanced power system application solution using distributed ledger technology (DLT) with smart contracts to manage the relay operation at the PCC. The smart contract defines the allowable total power factor (TPF) of the DER output, and the terms of the smart contract are implemented using DLT with a Cyber Grid Guard (CGG) system for a customer-owned DER (wind farm). This article presents flowcharts for the TPF smart contract implemented by the CGG using DLT. The test scenarios were implemented using a real-time simulator containing a CGG system and relay in-the-loop. The data collected from the CGG system were used to execute the TPF smart contract. The desired TPF limits on the grid-side were between +0.9 and +1.0, and the operation of the breakers in the electrical grid and DER sides was controlled by the relay consistent with the provisions of the smart contract. The events from the real-time simulator, CGG, and relay showed a successful implementation of the TPF smart contract with CGG using DLT, proving the efficacy of this approach in general for implementing electrical grid applications for utilities with connections to customer-owned DERs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Solid-State Transformer and Hybrid Transformer With Integrated Energy Storage in Active Distribution Grids: Technical and Economic Comparison, Dispatch, and Control

Solid-state transformer (SST) and hybrid transformer (HT) are promising alternatives to the line-frequency transformer (LFT) in smart grids. The SST features medium-frequency isolation, full controllability for voltage regulation, reactive power compensation, and the capability of battery energy storage system (BESS) integration with multiport configuration. The HT has a partially-rated converter for fractional controllability and can integrate a small BESS. Fast grid-edge voltage fluctuations from increased solar photovoltaic (PV) and electric vehicle (EV) penetration are difficult to manage for mechanical load tap changers. Hence, along with the trend towards more BESS in the grid, the controllability and the storage integration capability of the SST and HT are of strong interest. However, a review of literature shows existing SST and HT research is mostly at converter level, while system-level assessments are scarce. Assessing technical and economic impacts is critical to understanding the benefits and role of the SST and HT to guide future research, which is presented for the first time in this article. Experimental results from medium-voltage (MV) SST and MV HT prototypes are shown to confirm equipment-level feasibility, where the voltage controllability waveforms of a MV HT prototype are reported for the first time. Comparative simulations are performed on a modified IEEE 34-bus system. Here, a grid-model-less decentralized grid-edge voltage control method and a day-ahead BESS dispatch method are proposed for the SST and HT. The simulations show that the SST and HT with integrated storage can host more PV, achieve peak shaving, mitigate voltage fluctuation and reverse power flow, and support energy arbitrage for operational cost reduction, as compared to the LFT. Moreover, comprehensive analyses of net present value (NPV) and internal rate of return (IRR) are performed under different installed PV capacities, HT’s partial converter ratings, and BESS capacities. Sensitivities to future cost reductions of the PV and BESS are studied. Although the NPV and IRR are currently negative, 60% capital cost reduction or 150% revenue increase will make the SST and HT economically viable in the use case studied.

14 SOLAR ENERGY↗
DOE OSTI2024

Robustness and Eventual Slow Decay of Bound States of Interacting Microwave Photons in the Google Quantum AI Experiment

Integrable models are characterized by the existence of stable excitations that can propagate indefinitely without decaying. This includes multimagnon bound states in the celebrated 𝑋⁢𝑋⁢𝑍 spin-chain model and its integrable Floquet counterpart. A recent Google Quantum AI experiment [A. Morvan et al., Nature 612, 240 (2022)] realizing the Floquet model has demonstrated the persistence of such collective excitations even when the integrability is broken: this observation is at odds with the expectation of ergodic dynamics in generic nonintegrable systems. Here, we study the spectrum of the model realized in the experiment using exact diagonalization and physical arguments. We find that isolated bands corresponding to the descendants of the exact bound states of the integrable model are clearly observable in the spectrum for a large range of system sizes. However, our numerical analysis of the localization properties of the eigenstates suggests that the bound states become unstable in the thermodynamic limit. A perturbative estimate of the decay rate agrees with the prediction of an eventual instability for large system sizes.

Exact diagonalization↗
DOE OSTI2023

A Reproducible Validation of Algorithms for Estimating Array Tilt and Azimuth from Photovoltaic Power Time Series

In this research, we assess the viability of four different, publicly available algorithms for estimating the azimuth and tilt parameters of solar photovoltaic systems using only the associated AC power time series data and site latitude-longitude coordinates. In this work, we curated a benchmarking data set of 44 fixed-tilt systems, comprising 275 measured AC power inverter data streams, with known azimuth and tilt parameters. Additionally, we isolated test cases in the data set with real- world issues, including shading and clipping, to determine how algorithm performance varies based on the presence of these phenomena. Using this data set for benchmarking, we evaluated the estimated vs. actual system characteristics for each algorithm, as well as the associated algorithm execution time using a standardized benchmarking process. The two highest performing algorithms were the Solar Data Tools and the PVWatts 5- based methods, which both achieved a median absolute error of approximately 5 and 1 degrees for azimuth and tilt, respectively. During run time analysis, the SDT method was approximately 5 times faster than the PVWatts 5-based method, with the median execution time for a stream varying between 6 and 8 seconds vs. a median run time of 31 seconds for the PVWatts 5-based method.

azimuth↗
DOE OSTI2023

Isolating Chemical Reaction Mechanism as a Variable with Reactive Coarse-Grained Molecular Dynamics: Step-Growth versus Chain-Growth Polymerization

Here we present a general approach to isolate chemical reaction mechanism as an independently controllable variable across chemically distinct systems. Modern approaches to reduce the computational expense of molecular dynamics simulations often group multiple atoms into a single “coarse-grained” interaction site, which leads to a loss of chemical resolution. In this work we convert this shortcoming into a feature and use identical coarse-grained models to represent molecules that share nonreactive characteristics but react by different mechanisms. As a proof of concept, we use this approach to simulate and investigate distinct, yet similar, trifunctional isocyanurate resin formulations that polymerize by either chain- or step-growth. Because the underlying molecular mechanics of these models are identical, all emergent differences are a function of the reaction mechanism only. We find that the microscopic morphologies resemble related all-atom simulations and that simulated mechanical testing reasonably agrees with experiment.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Electrochemical C–N Bond Formation within Boron Imidazolate Cages Featuring Single Copper Sites

Electrocatalysis expands the ability to generate industrially relevant chemicals locally and on-demand with intermittent renewable energy, thereby improving grid resiliency and reducing supply logistics. Herein, we report the feasibility of using molecular copper boron-imidazolate cages, BIF-29(Cu), to enable coupling between the electroreduction reaction of CO 2 (CO 2 RR) with NO 3 – reduction (NO 3 RR) to produce urea with high selectivity of 68.5% and activity of 424 μA cm –2 . Remarkably, BIF-29(Cu) is among the most selective systems for this multistep C–N coupling to-date, despite possessing isolated single-metal sites. The mechanism for C–N bond formation was probed with a combination of electrochemical analysis, in situ spectroscopy, and atomic-scale simulations. We found that NO 3 RR and CO 2 RR occur in tandem at separate copper sites with the most favorable C–N coupling pathway following the condensation between *CO and NH 2 OH to produce urea. In conclusion, this work highlights the utility of supramolecular metal–organic cages with atomically discrete active sites to enable highly efficient coupling reactions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Development of genetic tools for heterologous protein expression in a pentose‐utilizing environmental isolate of Pseudomonas putida

Abstract Pseudomonas putida has emerged as a promising host for the conversion of biomass‐derived sugars and aromatic intermediates into commercially relevant biofuels and bioproducts. Most of the strain development studies previously published have focused on P. putida KT2440, which has been engineered to produce a variety of non‐native bioproducts. However, P. putida is not capable of metabolizing pentose sugars, which can constitute up to 25% of biomass hydrolysates. Related P. putida isolates that metabolize a larger fraction of biomass‐derived carbon may be attractive as complementary hosts to P. putida KT2440. Here we describe genetic tool development for P. putida M2, a soil isolate that can metabolize pentose sugars. The functionality of five inducible promoter systems and 12 ribosome binding sites was assessed to regulate gene expression. The utility of these expression systems was confirmed by the production of indigoidine from C6 and C5 sugars. Chromosomal integration and expression of non‐native genes was achieved by using chassis‐independent recombinase‐assisted genome engineering (CRAGE) for single‐step gene integration of biosynthetic pathways directly into the genome of P. putida M2. These genetic tools provide a foundation to develop hosts complementary to P. putida KT2440 and expand the ability of this versatile microbial group to convert biomass to bioproducts.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Demystifying asynchronous I/O Interference in HPC applications

With increasing complexity of HPC workflows, data management services need to perform expensive I/O operations asynchronously in the background, aiming to overlap the I/O with the application runtime. However, this may cause interference due to competition for resources: CPU, memory/network bandwidth. The advent of multi-core architectures has exacerbated this problem, as many I/O operations are issued concurrently, thereby competing not only with the application but also among themselves. Furthermore, the interference patterns can dynamically change as a response to variations in application behavior and I/O subsystems (e.g. multiple users sharing a parallel file system). Without a thorough understanding, I/O operations may perform suboptimally, potentially even worse than in the blocking case. To fill this gap, here we investigate the causes and consequences of interference due to asynchronous I/O on HPC systems. Specifically, we focus on multi-core CPUs and memory bandwidth, isolating the interference due to each resource. Then, we perform an in-depth study to explain the interplay and contention in a variety of resource sharing scenarios such as varying priority and number of background I/O threads and different I/O strategies: sendfile, read/write, mmap/write underlining trade-offs. The insights from this study are important both to enable guided optimizations of existing background I/O, as well as to open new opportunities to design advanced asynchronous I/O strategies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Understanding Mechanisms of Selective Crystal Nucleation and Growth Using In Situ Electron Microscopy

Separation processes are essential for purifying and isolating critical materials, but are challenging due to the natural tendency of systems to mix. This project explores far-from-equilibrium separation methods using external electric and magnetic fields to drive selective nucleation and crystal growth. Using in situ electrochemical transmission electron microscopy (TEM), we observed ion transport and crystallization behavior under applied electric fields. We found that ions migrate toward the working electrode, where nucleation preferentially occurs. These findings advance our understanding of non-equilibrium separation mechanisms and support the development of efficient, sustainable methods for extracting critical materials from unconventional domestic sources.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Thermo-Hydrological Modeling of Thermal Energy Storage in a Depleted Oil Reservoir

Thermal energy storage in oil and gas reservoirs leverages the existing surface and subsurface infrastructure, which can pave the way for economic production of geothermal energy. Existing studies on geothermal energy storage are focused mostly on the use of aquifers with more homogeneous rock and fluid properties. Coupling of heat and fluid flow in a multiphase-multicomponent system, such as an oil reservoir, is imperative especially if existing oil field assets need to be repurposed as required for a sustainable energy transition. The objective is to model the subsurface thermo-hydrological processes associated with reservoir performance and operational sustainability. The model evaluates formation pressure and temperature within the reservoir and at the injection/production wells during multiple charge and discharge cycles. Hot water (approximately 200 degrees C) heated by Concentrating Solar Power (CSP) at high pressure is injected into the existing oil reservoir for storage and produced as thermal energy for power generation, which will be accompanied by enhanced oil recovery. To demonstrate the coupled fluid and heat flow during the injection/production cycle in the subsurface reservoir, TOUGH3 (developed by Berkeley Lab) is used to simulate the thermo-hydrological (TH) processes in a multiphase, multicomponent system. Two well geometries are considered within the reservoir grid: 1) a single-well huff-n-puff system (same well is used for injection and production), and 2) an isolated injection-production well doublet. Seasonal charge and discharge cycling are implemented based on the scheduling specified in the model input file. The model reports pressure, temperature, enthalpy, liquid fluxes, heat fluxes, pore velocities, and changes in porosity & permeability due to temperature and pressure variations during the cyclic Reservoir Thermal Energy Storage (RTES) operations. The results from the simulations can be used to optimize the operational parameters (such as well spacing and injection/production rates) and round-trip efficiency for surface power-plants coupled with thermal energy storage over time. They can also serve as important inputs for levelized cost of storage estimations. The research will help to design and integrate surface renewable energy sources, such as concentrating solar power (CSP), with RTES to help balance out power supply and demand on the grid.

CSP↗
DOE OSTI2023

A Reproducible Validation of Algorithms for Estimating Array Tilt and Azimuth from Photovoltaic Power Time Series

In this research, we assess the viability of four different, publicly available algorithms for estimating the azimuth and tilt parameters of solar photovoltaic systems using only the associated AC power time series data and site latitude-longitude coordinates. In this work, we curated a benchmarking data set of 44 fixed-tilt systems, comprising 275 measured AC power inverter data streams, with known azimuth and tilt parameters. Additionally, we isolated test cases in the data set with real-world issues, including shading and clipping, to determine how algorithm performance varies based on the presence of these phenomena. Using this data set for benchmarking, we evaluated the estimated vs. actual system characteristics for each algorithm, as well as the associated algorithm execution time using a standardized benchmarking process. The two highest performing algorithms were the Solar Data Tools and the PVWatts 5-based methods, which both achieved a median absolute error of approximately 5 and 1 degrees for azimuth and tilt, respectively. During run time analysis, the SDT method was approximately 5 times faster than the PVWatts 5-based method, with the median execution time for a stream varying between 6 and 8 seconds vs. a median run time of 31 seconds for the PVWatts 5-based method.

algorithm validation↗