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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Mechanistic Studies of the Oxidation of Cyclohexene to 2-Cyclohexen-1-one over ALD Prepared Titania Supported Vanadia

Selective oxidation of cyclohexene to 2-cyclohexen-1-one over titania supported vanadia (VO x /TiO 2 ) has been studied using temperature dependent in-situ FTIR spectroscopy in both the presence and absence of oxygen. The VO x /TiO 2 samples were prepared using one atomic layer deposition (ALD) cycle and characterized by Raman spectroscopy. In-situ FTIR data for the oxidation of cyclohexene and perdeuterocyclohexene allow for the formulation of a molecular level reaction mechanism, which is initiated by the transfer of an allyl hydrogen. Oxidation of perdeuterocyclohexene provides a direct probe of the formation of OD and HDO moieties that support the involvement of specific steps in the proposed mechanism. The presence of gas phase oxygen does not lead to a change in the products versus anaerobic conditions. However, gas phase oxygen is significantly incorporated in the CO 2 over-oxidation product above ~250 °C. Data were also obtained with cyclohexene epoxide as the reactant in an effort to determine whether there is a parallel reaction pathway, which is initiated by C=C activation in cyclohexene, that involves cyclohexene epoxide as an intermediate. Furthermore, though a minor pathway involving a cyclohexene epoxide intermediate cannot be ruled out, these data demonstrate that, under experimental conditions, the dominant pathway from cyclohexene to cyclohexene-1-one is initiated by an allyl-H activation step and does not involve an epoxide intermediate.

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

Solid-state platform for cooperative quantum dynamics driven by correlated emission

While traditionally regarded as an obstacle to quantum coherence, recent breakthroughs in quantum optics have shown that the dissipative interaction of a qubit with its environment can be leveraged to protect quantum states and synthesize many-body entanglement. Inspired by this progress, here we set the stage for the—as yet uncharted—exploration of analogous cooperative phenomena in hybrid solid-state platforms. We develop a comprehensive formalism for the quantum many-body dynamics of an ensemble of solid-state spin defects interacting with the magnetic field fluctuations of a common solid-state reservoir. Our framework applies to any solid-state reservoir whose fluctuating spin, pseudospin, or charge degrees of freedom generate magnetic fields. To understand whether correlations induced by dissipative processes can play a relevant role in a realistic experimental setup, we apply our model to a qubit array interacting via the spin fluctuations of a ferromagnetic bath. Our results show that the low-temperature collective relaxation rates of the qubit ensemble can display clear signatures of super- and subradiance, i.e., forms of cooperative dynamics traditionally achieved in atomic ensembles. We find that the solid-state analog of these cooperative phenomena is robust against spatial disorder in the qubit ensemble and thermal fluctuations of the magnetic reservoir, providing a route for their feasibility in near-term experiments. Finally, our work lays the foundation for a multiqubit approach to quantum sensing of solid-state systems and the direct generation of many-body entanglement in spin-defect ensembles. Furthermore, we discuss how the tunability of solid-state reservoirs opens up novel pathways for exploring cooperative phenomena in regimes beyond the reach of conventional quantum optics setups.

NV centers↗
DOE OSTI2024

Nonlinear optical diode effect in a magnetic Weyl semimetal

Diode effects are of great interest for both fundamental physics and modern technologies. Electrical diode effects (nonreciprocal transport) have been observed in Weyl systems. Optical diode effects arising from the Weyl fermions have been theoretically considered but not probed experimentally. Here, we report the observation of a nonlinear optical diode effect (NODE) in the magnetic Weyl semimetal CeAlSi, where the magnetization introduces a pronounced directionality in the nonlinear optical second-harmonic generation (SHG). We demonstrate a six-fold change of the measured SHG intensity between opposite propagation directions over a bandwidth exceeding 250 meV. Supported by density-functional theory, we establish the linearly dispersive bands emerging from Weyl nodes as the origin of this broadband effect. We further demonstrate current-induced magnetization switching and thus electrical control of the NODE. Our results advance ongoing research to identify novel nonlinear optical/transport phenomena in magnetic topological materials and further opens new pathways for the unidirectional manipulation of light.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Evaluating the Effects of Anode Porous Transport Layer on the Performance and Durability of Anion Exchange Membrane Electrolyzers

As anion exchange membrane systems have emerged as a competitive low temperature electrolysis technology, research has expanded to other components and device integration. In this study, nickel (Ni) and stainless steel (SS)-based porous transport layers (PTLs) are investigated in membrane electrode assemblies (MEAs). Compared to MEAs using Ni, the SS PTL shows higher performance due to less kinetics and residual loss and possibly due to a combination of iron mobility improving oxygen evolution reactivity and electron conduction pathways, as well as higher porosity increasing site access. Voltage decay rates of approximately 144 and 115 μV/h, respectively, for the Ni and SS PTLs are found, although the long-term durability and lifetime implications are convoluted. Voltage breakdown analysis confirms that both PTLs saw significant increases in residual loss possibly due to catalyst/PTL property changes that affected electronic, ionic, and mass transport pathways. For the Ni PTL, a higher proportion of the losses were due to cell kinetics; comparatively, more of the SS PTL losses were due to increases in the high frequency resistance. The experimental findings presented here provide insights on the impact of the PTL materials and their properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Regulatory Implications of Embedded Grid Energy Storage

Electricity is unique among commodities in that its supply chain was developed without a storage component. Every other resource commodity has the ability to store excess quantities built into its supply chain – in the form of granaries, warehouses, reservoirs, etc. This embedded storage creates a buffer for mismatches between supply and demand, stabilizing prices and protecting customers. Recent technological advances in cost-competitive energy storage technologies that are scalable and flexible have made the concept of embedded electrical storage feasible, but several regulatory questions remain. This paper summarizes energy regulatory structures in the U.S. and the implications that they would have for embedded storage on the electric grid. Regulatory challenges for embedded storage include the lack of underlying standards, inclusion in planning processes, ownership models, compensation, and metrics. Two possible pathways forward are explored: an incremental one including regulatory guidance regarding the evaluation of embedded storage in existing planning processes, and a complex one involving the revision of existing reliability standards or the development of a new standard specific to embedded storage.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

A Circularity Assessment for Silicon Solar Panels Based on Dynamic Material Flow Analysis

Solar photovoltaics (PV) are the fastest growing renewable energy technology for clean, inexpensive, and sustainable electricity generation. Along with numerous technical roadmaps to improve system cost, performance and reliability, the PV industry should also plan to handle large volumes of silicon panel waste, which is initially estimated to be ~13 million metric tons (MT) by 2050 in the U.S. alone. Understanding the magnitude of material needs and how material flows throughout the PV panel life cycle could respond to design, operational and different end-of-life (EOL) circular pathways will help transition into a circular, resource-conserving economy. Herein, we introduce a dynamic material flow analysis (DMFA) framework based on electricity generation to quantify time-series stocks and flows of bulk PV materials (e.g., solar glass and aluminum frames) throughout the life cycles of utility-scale silicon PV systems in the U.S. in the period 2000-2100. We apply the model to a range of scenarios to understand how material demands depend on selected PV-related parameters, different material circularity strategies, and recent module design trends (e.g., bifacial, frameless). We found that float glass and aluminum in PV installations would likely reach 100 million MT and 12 million MT by 2100, respectively, in the baseline scenario. The most influential parameters for PV installation and subsequent waste reduction are found to be module lifetime, module efficiency, annual degradation, and material reduction. Module recycling and component remanufacturing were found to be the most effective material circularity strategies for waste minimization. Panel reuse has negligible savings on waste under current module efficiencies compared to replacements with newer generations with higher efficiency. Ongoing trends to produce larger power frameless modules could save 10 million MT of glass and ~9 million MT of aluminum. Our results enable advanced planning for future materials needs and provide insight into potential opportunities to minimize waste.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Absolute photoionization cross sections of brominated organics and determination of an effective C—Br bond cross section

For this work, absolute photoionization cross sections for five brominated species were measured using multiplexed synchrotron photoionization mass spectrometry at the Advanced Light Source (Lawrence Berkeley National Laboratory). These data enable reliable detection of bromine-containing compounds and estimation of C—Br bond photoionization cross sections. Complementary electronic-structure calculations provided adiabatic ionization energies in good agreement with experiment, while thermochemical appearance energies were measured directly. Bond dissociation energies for key fragmentation pathways of the neutral parent molecules were also analyzed. At 11 eV, cross sections were 53.8 ± 7.50 Mb (sp 2 C—Br) and 48.8 ± 7.70 Mb (sp 3 C—Br).

Brominated compounds↗
DOE OSTI2025

The developments in modifying functionality of lignin and its application in biocomposites

With the advancement of sustainable material innovations, renewable natural biopolymers are gradually replacing traditional metal and petroleum-based synthetic materials due to their environmental friendliness, biodegradability, and economic advantages. Lignin, the second most abundant natural aromatic polymer in the plant kingdom, has emerged as a key candidate raw material for the development of green polymer systems because of its unique phenylpropane unit network structure, high carbon content, and rich functional group characteristics. However, challenges such as the inherent structural complexity, chemical inertness, and uneven molecular weight distribution of lignin limit its direct application. By employing modification strategies such as chemical functionalization and physical regulation, researchers can precisely control its reactivity, thermal stability, and interfacial compatibility, enabling the preparation of high-performance lignin-based functional composites. Here, this paper systematically reviews the principles and methodological advancements in lignin's multi-dimensional modification technology. It analyzes the mechanisms by which various chemical and physical modification techniques enhance the mechanical properties, functional responsiveness, and environmental adaptability of materials, and discusses innovative applications in fields such as intelligent packaging, biomedical materials, and energy storage devices. Furthermore, this review addresses the key challenges encountered in the high-value transformation of lignin, with the aim of offering a theoretical framework and technical pathway for the transformative development of lignin from agricultural and forestry by-products to functional material platforms.

Functional composites↗
DOE OSTI2024

Tapping the treasure trove of atypical phages

With advancements in genomics technologies, a vast diversity of ‘atypical’ phages, that is, with single-stranded DNA or RNA genomes, are being uncovered from different ecosystems. Though these efforts have revealed the existence and prevalence of these nonmodel phages, computational approaches often fail to associate these phages with their specific bacterial host(s), while the lack of methods to isolate these phages has limited our ability to characterize infectivity pathways and new gene function. In this review, we call for the development of generalizable experimental methods to better capture this understudied viral diversity via isolation and study them through gene-level characterization and engineering. Establishing a diverse set of new ‘atypical’ phage model systems has the potential to provide many new biotechnologies, including potential uses of these atypical phages in halting the spread of antibiotic resistance and engineering of microbial communities for beneficial outcomes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Development of a Reactive Force Field for Simulating Photoinitiated Acrylate Polymerization

Light-driven and photo-curable polymer based additive manufacturing (AM) has enormous potential due to its excellent resolution and precision. Acrylated radical chain-growth polymerized resins are widely used in photopolymer AM due to their fast kinetics, and often serve as a departure point for developing other resin materials for photopolymer-based AM technologies. For successful control of the photopolymer resins, the molecular basis of the acrylate free-radical polymerization has to be understood in detail. We present an optimized reactive force field (ReaxFF) for molecular dynamics (MD) simulations of acrylate polymer resins that captures radical polymerization thermodynamics and kinetics. The force field is trained against an extensive training set including density functional theory (DFT) calculations of reaction pathways along the radical polymerization from methyl acrylate to methyl butyrate, bond dissociation energies, and structures and partial charges of several molecules and radicals. We also found that it was critical to train the force field against an incorrect, nonphysical reaction pathway observed in simulations that used parameters not optimized for acrylate polymerization. As a result, the parameterization process utilizes a parallelized search algorithm, and the resulting model can describe polymer resin formation, crosslinking density, conversion rate, and residual monomers of the complex acrylate mixtures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Weakly solvating electrolytes: a solvation-centric paradigm for rechargeable metal batteries

Electrolyte design has long followed a solvation-first paradigm that prioritizes solvents capable of maximizing salt dissociation and ionic conductivity, while treating interfacial degradation and rheological limitations as secondary constraints. Although this approach has enabled significant progress in lithium-ion and sodium-ion batteries, it inherently favors solvent-dominated solvation structures that destabilize reactive metal interfaces. Weakly solvating electrolytes (WSEs) offer a fundamentally different strategy. By using solvents with intrinsically low donor strength and minimal electrostatic affinity for cations, WSEs suppress cation–solvent coordination and promote anion-rich solvation shells without relying on salt superconcentration. This shift lowers desolvation barriers, redirects interfacial decomposition pathways, and supports the formation of inorganic-rich, stable interphases. In this review, we discuss the molecular and solvation criteria that distinguish WSEs from conventional and concentrated or locally concentrated electrolyte systems, examine their implementation across different chemistries, and identify unresolved design challenges. WSEs are presented not as a niche formulation, but as a solvation-centric framework for rethinking electrolyte function in metal battery technologies.

Karbak, Mehdi [Pacific Northwest National Laborato↗
DOE OSTI2021

Cross-beam energy transfer saturation by ion trapping-induced detuning

The performance of direct-drive inertial confinement fusion implosions relies critically on the coupling of laser energy to the target plasma. Cross beam energy transfer (CBET), the resonant exchange of energy between intersecting laser beams mediated by ponderomotively driven ion-acoustic waves (IAW), inhibits this coupling by scattering light into unwanted directions. Furthermore, the variety of beam intersection angles and varying plasma conditions in an implosion results in IAWs with a range of phase velocities. Here we show that CBET saturates through a resonance detuning that depends on the IAW phase velocity and that results from trapping-induced modifications to the ion distribution functions. For smaller phase velocities, the modifications to the distribution functions can rapidly thermalize in the presence of mid-Z ions, leading to a blueshift in the resonant frequency. For larger phase velocities, the modifications can persist, leading to a redshift in the resonant frequency. Ultimately, these results may reveal pathways towards CBET mitigation and inform reduced models for radiation hydrodynamics codes to improve their predictive capability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Clocking out and letting go to unleash green biotech applications in a photosynthetic host

Cyanobacteria are photosynthetic bacteria whose gene expression patterns are globally regulated by their circadian (daily) clocks. Due to their ability to use sunlight as their energy source, they are also attractive hosts for “green” production of pharmaceuticals, renewable fuels, and chemicals. However, despite the application of traditional genetic tools such as the identification of strong promoters to enhance the expression of heterologous genes, cyanobacteria have lagged behind other microorganisms such as Escherichia coli and yeast as economically efficient cell factories. The previous approaches have ignored large-scale constraints within cyanobacterial metabolic networks on transcription, predominantly the pervasive control of gene expression by the circadian (daily) clock. Here, we show that reprogramming gene expression by releasing circadian repressor elements in the transcriptional regulatory pathways coupled with inactivation of the central oscillating mechanism enables a dramatic enhancement of expression in cyanobacteria of heterologous genes encoding both catalytically active enzymes and polypeptides of biomedical significance.

Science & Technology - Other Topics↗
DOE OSTI2020

Getting to Neutral: Options for Negative Carbon Emissions in California

This report is an assessment of negative emissions pathways - ones that physically remove CO 2 from the atmosphere - that can help California achieve carbon neutrality by 2045, or sooner. It integrates original research findings with current published research on three main pillars of negative emissions: natural and working lands, carbon capture from biomass conversion to fuels, and direct air capture. The focus and scope of this report is unique: it only addresses practices and technologies for removing carbon dioxide from the air. It also encompasses the entire breadth of strategies, from land management to the latest technological options, and it evaluates the cost of every step of the solution, from waste biomass collection to carbon dioxide transport and geologic storage. The methods are intended to be transparent; details of the calculations and underlying data are included in the report body and appendices. This study intentionally avoids any discussion of policies and does not include current incentives; it provides a range of options, tradeoffs and costs that can be used to inform future policies. The key finding of this report is that carbon neutrality is achievable.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

NPP Simulators for Coupled Thermal and Electric Power Dispatch

The Light Water Reactor Sustainability (LWRS) program within the United States Department of Energy supports extending the operation of the U.S. commercial nuclear power plant (NPP) fleet. Within the LWRS program, the Flexible Plant Operation and Generation (FPOG) Pathway works to diversify the revenue streams of light water reactors (LWRs) by opening opportunities for the co-generation of non-electric products in addition to supplying electrical power to the grid. Recent events have added greater motivation to these efforts. For example, the recent Inflation Reduction Act (IRA) passed by the U.S. federal government offers substantial tax incentives for producing clean hydrogen, the technology readiness level of dispatchable and high-efficiency hydrogen production has dramatically increased in a short time, and societal response to world climate change is driving a transition away from fossil fuels. Producing hydrogen with maximum efficiency using nuclear power requires dispatching both electrical and thermal power from the nuclear plant to the hydrogen plant, so testing concepts of operations for combined electrical and thermal power dispatch (TPD) from an NNP to a hydrogen plant is of interest. This report documents achievement of the Light Water Reactor Sustainability (LWRS) program milestone “Install and demonstrate a vendor-developed simulator on the Human Systems Simulation Laboratory (HSS) for dispatch of LWR electrical power to a close-coupled electrolysis plant” with a due date of Dec. 22, 2022. Several factors provide motivation for this effort. Coupling the power generation deck of a nuclear power plant to a hydrogen production facility introduces new possibilities for operational transients that must be addressed. In particular, the performance of the integrated system during startup and shutdown of the hydrogen production facility, as well as offnormal conditions, need to be evaluated to ensure there are no adverse effects on the operation of the existing NPP. The concept of operations involving the NPP, the hydrogen plant, and the electric power grid must be tested using NPP simulators and operating procedures that have been modified for TPD operations. These tests must also include dynamic simulations of the coupled tertiary thermal and electric loads as well as coordinated activities with NPP operators, tertiary load operators and grid power coordinators. The report summarizes progress in developing and testing full-scope NPP simulators at the HSSL, including a generic BWR simulator from GSE Systems, Inc. and generic PWR simulator from Westinghouse. In the case of the TPD-GBWR Simulator from GSE Systems, Inc., a BWR is thermally coupled to a high temperature electrolysis (HTE) plant that produces hydrogen and oxygen from de-ionized water. The hydrogen plant is not explicitly simulated but only included as a transient heat sink. A thermal power dispatch (TPD) system transfers heat between the steam systems at the BWR and the hydrogen plant. Operational results from two versions of the modified simulator are presented. The first version uses synthetic oil as a heat transfer fluid in a closed delivery heat loop (DHL) that generates steam at the hydrogen plant. The second version uses steam as the heat transfer fluid in a delivery steam line (DSL) to provide steam to the hydrogen plant. For both versions, the estimated thermal power delivery distance is approximately one kilometer. The amount of thermal power dispatched in the simulators is 15% of the total reactor thermal power such that the simulators provide a tool to study the feasibility of coupling a BWR to industrial processes that benefit from a combination electrical and thermal power dispatch. Ongoing work within a CRADA is also developing a full-scope PWR simulator provided by Westinghouse for both thermal and electric power coupling. This simulator is based on a PWR plant with two three-loop Westinghouse reactors. Westinghouse PWRs are sufficiently similar that a simulator of a three-loop reactor is an appropriate representation for two-loop and four-loop PWR reactors. The three-loop simulator will initially be modified for close-coupling to a 100 MW HTE hydrogen production plant that will require approximately 25 MW of thermal power while operating at its maximum rated capacity. The simulator testing will include full coupling to dynamic simulations of a hydrogen production plant and a representative bulk electric grid. The simulator provided by Westinghouse is similar to the GPWR simulator that INL has already obtained from GSE Systems but has a few important added benefits. First, the Westinghouse simulator is based on digital controls and has additional screens that can be called up to show parameter trends to assist operators in decision-making. The Westinghouse simulator also has upgrades to the controls and hardware representations, such as valve actuators, that make it more realistic and flexible in terms of accurately sim

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Utilizing Plant Synthetic Biology to Improve Human Health and Wellness

Plants offer a vast source of bioactive chemicals with the potential to improve human health through the prevention and treatment of disease. However, many potential therapeutics are produced in small amounts or in species that are difficult to cultivate. The rapidly evolving field of plant synthetic biology provides tools to capitalize on the inventive chemistry of plants by transferring metabolic pathways for therapeutics into far more tenable plants, increasing our ability to produce complex pharmaceuticals in well-studied plant systems. Plant synthetic biology also provides methods to enhance the ability to fortify crops with nutrients and nutraceuticals. In this review, we discuss (1) the potential of plant synthetic biology to improve human health by generating plants that produce pharmaceuticals, nutrients, and nutraceuticals and (2) the technological challenges hindering our ability to generate plants producing health-promoting small molecules.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2011

Vehicle Integrated Prognostic Reasoner (VIPR) 2010 Annual Final Report

Honeywell's Central Maintenance Computer Function (CMCF) and Aircraft Condition Monitoring Function (ACMF) represent the state-of-the art in integrated vehicle health management (IVHM). Underlying these technologies is a fault propagation modeling system that provides nose-to-tail coverage and root cause diagnostics. The Vehicle Integrated Prognostic Reasoner (VIPR) extends this technology to interpret evidence generated by advanced diagnostic and prognostic monitors provided by component suppliers to detect, isolate, and predict adverse events that affect flight safety. This report describes year one work that included defining the architecture and communication protocols and establishing the user requirements for such a system. Based on these and a set of ConOps scenarios, we designed and implemented a demonstration of communication pathways and associated three-tiered health management architecture. A series of scripted scenarios showed how VIPR would detect adverse events before they escalate as safety incidents through a combination of advanced reasoning and additional aircraft data collected from an aircraft condition monitoring system. Demonstrating VIPR capability for cases recorded in the ASIAS database and cross linking them with historical aircraft data is planned for year two.

Hadden, George D.↗