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DOE OSTI2026

Energy utilization strategies in lignocellulosic biorefineries

Lignocellulosic biorefineries can generate various energy-rich side streams, including biogas from anaerobic digestion, a lignin stream from biomass pretreatment, and conversion residues. This study evaluates different chemical energy utilization strategies in lignocellulosic biorefineries based on energy and carbon efficiencies, cost, and greenhouse gas mitigation potential. Specifically, using modeling and optimization, we examine strategies that include electricity generation, biogas upgrade to biomethane, lignin valorization, and carbon capture and storage. We find that upgrading biogas to biomethane demonstrates the highest energy efficiency and leads to the lowest minimum fuel selling price for the main product, ethanol. The biorefinery with carbon capture and storage achieves the lowest net carbon footprint. Lignin valorization has the highest carbon footprint due to the additional materials required for lignin depolymerization, despite its potential to produce high value bioproducts.

Aboagye, Emmanuel A. [Princeton Univ., NJ (United ↗

DOE OSTI2025

Tunable energy landscape of screw dislocation cores by compositional fluctuations in bcc high-entropy alloys from first-principles calculations

The energy landscape of screw dislocation cores plays a central role in dislocation-mediated deformation mechanisms in body-centered cubic (bcc) metals. In bcc high-entropy alloys (HEAs), this energy landscape is modulated by local compositional fluctuations, which has important implications for deformation processes in these materials. Through first-principles calculations, this study investigates high-symmetry screw dislocation core structures in NbTaMoW and NbTaTiHf bcc HEAs. The results show that alloying group IV transition metals lead to large local lattice distortions at dislocation cores, which is demonstrated to be an important factor governing fluctuations in core configurations along a dislocation line. Importantly, group IV elements near the core induce features in the energy landscape that are exclusive for HEAs, specifically lowering the energy of core configurations that are unstable in elemental bcc metals. A combined influence of these chemical effects with crystallographic details enables the activation of glide planes, a feature that has been linked to ductility improvements in bcc HEAs. These findings provide new insights into the atomic-scale mechanisms underlying dislocation mobility in bcc HEAs, offering a pathway for designing materials with tailored mechanical properties.

Borges, Pedro P P O↗

DOE OSTI2022

The incorporation of environmentally derived 87 Sr / 86 Sr and Sr/Ca in early otolith formation of Chinook salmon

Abstract Effective species management often requires understanding patterns of movement and habitat use. A common approach in identifying where individuals reside relies upon chemical tracers from the environment that are incorporated into an individual's tissues. For fish, isotopes in their otoliths, specifically the portion of their otolith formed during their larval stage, have been used to identify the natal origin. Complicating this work, however, is the fact that during this life stage, there is a shift in the source of isotopes deposited onto the growing otolith from maternally to environmentally derived. The objective of this study was to identify the portion of the otolith representing this transition to environmentally derived isotopes so as to accurately investigate questions of natal origin for a threatened population of fall Chinook salmon ( Oncorhynchus tshawytscha ). We exposed developing larvae to four treatments that differed in terms of their water strontium isotope ratio ( 87 Sr/ 86 Sr) and used change‐point analysis of otolith 87 Sr/ 86 Sr and strontium to calcium ratio (Sr/Ca) to identify the otolith radius corresponding to the transition to environmentally derived isotopes. Our results indicated this transition occurred, on average, at 132 μm ( 87 Sr/ 86 Sr; ±50 μm standard deviation) and 127 μm (Sr/Ca; ±29 μm) from the otolith core, which corresponded to the developmental time between hatching and exogenous feeding. A substantial proportion of our otoliths (i.e., 61%) did not show convergence between otolith and water 87 Sr/ 86 Sr by the end of the 113‐day experiment, which was likely due to the dietary contribution of marine‐based feed. Therefore, we were unable to recommend an otolith radius to target for the purposes of reconstructing natal origin apart from being beyond approximately 130 μm.

Chittaro, Paul↗

DOE OSTI2022

Materials for electrification of everything: Moving toward sustainability

We report society is at a unique tipping point in a move from conventional fossil fuel based technologies to renewable sourced electrified technologies which can enable creating a carbon neutral or carbon negative energy economy. Many of the key approaches to achieving this transition in the critical areas of transportation, buildings and manufacturing depend on new materials and new approaches to rapidly increase electrification. This article reviews the overall energy landscape and highlights specific areas where new materials are critical to enabling transitions in energy storage, hydrogen utilization, transportation, buildings and the chemical industry and the articles on these topics that follow. How these transitions can be best integrated and the global societal impact of these transitions is also discussed. The development of new materials is instrumental in accelerating the move to a cleaner electrified society. The "electrification of everything" is increasingly important if we are to mitigate the adverse effects of climate change and materials will play a critical role realizing this goal.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

Catalytic water splitting kinetics and optimization

This project was motivated primarily by the opportunity of turning photocatalysis into a cost efficient hydrogen generation method for domestic energy and chemical production, and by the need to provide detailed mechanisms of photocatalytic reactions of broad scientific and technological interest. Specifically, we focused on the development of a new technique for analysis of (photo)catalytic reaction mechanisms to guide photocatalyst design. Our approach was based on applying velocity map imaging (VMI) to surface catalyzed reactions in order to identify photocatalytic reaction products, intermediates, and relate these to photocatalyst composition, dimensions, size and other characteristics. By coupling VMI with other spectroscopic and microstructural characterization, we aimed to reveal the features that limit performance of photocatalysis. As a first step to achieve this goal, we constructed a custom VMI microscope specifically designed for investigation of surface photocatalytic reactions and validated it’s design using a photodissociatinon of MnBr(CO) 5 adsorbed on a metallic surface. Using both 230 nm and 266 nm pulsed laser excitations, we observed that there are likely three main pathways for photodissociation of Mn(CO)5Br: from the gas phase, the surface, and ejected Mn complex from the surface increasing the gas phase concentration.

08 HYDROGEN↗

DOE OSTI2025

Computational Design of Improved Fast Reactor Cladding

HT9 ferritic-martensitic (FM) steel has served as a leading candidate for sodium-cooled fast reactor (SFR) cladding due to its favorable resistance to irradiation-induced swelling and good thermal and chemical properties. However, its limited creep strength at temperatures above 600 °C and susceptibility to α′ phase embrittlement under specific conditions could limit its application in next-generation SFRs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Is Genetic Engineering a Route to Enhance Microalgae-Mediated Bioremediation of Heavy Metal-Containing Effluents?

Contamination of the biosphere by heavy metals has been rising, due to accelerated anthropogenic activities, and is nowadays, a matter of serious global concern. Removal of such inorganic pollutants from aquatic environments via biological processes has earned great popularity, for its cost-effectiveness and high efficiency, compared to conventional physicochemical methods. Among candidate organisms, microalgae offer several competitive advantages; phycoremediation has even been claimed as the next generation of wastewater treatment technologies. Furthermore, integration of microalgae-mediated wastewater treatment and bioenergy production adds favorably to the economic feasibility of the former process—with energy security coming along with environmental sustainability. However, poor biomass productivity under abiotic stress conditions has hindered the large-scale deployment of microalgae. Recent advances encompassing molecular tools for genome editing, together with the advent of multiomics technologies and computational approaches, have permitted the design of tailor-made microalgal cell factories, which encompass multiple beneficial traits, while circumventing those associated with the bioaccumulation of unfavorable chemicals. Previous studies unfolded several routes through which genetic engineering-mediated improvements appear feasible (encompassing sequestration/uptake capacity and specificity for heavy metals); they can be categorized as metal transportation, chelation, or biotransformation, with regulation of metal- and oxidative stress response, as well as cell surface engineering playing a crucial role therein. This review covers the state-of-the-art metal stress mitigation mechanisms prevalent in microalgae, and discusses putative and tested metabolic engineering approaches, aimed at further improvement of those biological processes. Finally, current research gaps and future prospects arising from use of transgenic microalgae for heavy metal phycoremediation are reviewed.

Ranjbar, Saeed (ORCID:0000000256518605)↗

NASA NTRS1973

Lubrication handbook

Information on lubricants from government reports, military specifications, qualified parts lists, and suppliers of commercial lubricants has been consolidated in one source. Handbook includes data on chemical and physical properties of solid, bonded solid, and liquid lubricants; dispersions and composites; and greases, oils, and hydraulic fluids.

Campbell, M. E.↗

NASA NTRS1974

Effect degree of crosslinking on the tearing energy

Much recent work has been carried out on the tear behavior of elastomers, both filled and unfilled. By use of a criterion for tearing involving the concept of the tearing energy, the effects of variables such as test temperature, test rate, specimen geometry, and chemical nature of the elastomer have been investigated. The one variable which has not yet been studied is the specific effect of changes in the degree of crosslinking on tear behavior. By use of data published in the literature on the smooth tear behavior of unfilled vulcanizates, it is shown that these data can all be superposed onto a common response curve when the proper normalizations are applied.

Fedors, R. F.↗

NASA NTRS1978

Computational fluid dynamics applied to flows in an internal combustion engine

The reported investigation is a continuation of studies conducted by Diwakar et al. (1976) and Griffin et al. (1976), who reported the first computational fluid dynamic results for the two-dimensional flowfield for all four strokes of a reciprocating internal combustion (IC) engine cycle. An analysis of rectangular and cylindrical three-dimensional engine models is performed. The working fluid is assumed to be inviscid air of constant specific heats. Calculations are carried out of a four-stroke IC engine flowfield wherein detailed finite-rate chemical combustion of a gasoline-air mixture is included. The calculations remain basically inviscid, except that in some instances thermal conduction is included to allow a more realistic model of the localized sparking of the mixture. All the results of the investigation are obtained by means of an explicity time-dependent finite-difference technique, using a high-speed digital computer.

Griffin, M. D.↗

NASA NTRS1980

Gas and aerosol fluxes

The development of remote sensing techniques to address the global need for accurate distribution and flux determinations of both man made and natural materials which affect the chemical composition of the atmosphere, the heat budget of the Earth, and the depletion, of stratospheric ozone is considered. Specifically, trace gas fluxes, sea salt aerosol production, and the effect of sea surface microlayer on gas and aerosol fluxes are examined. Volatile sulfur, carbon, nitrogen, and halocarbon compounds are discussed including a statement of the problem associated with each compound or group of compounds, a brief summary of current understanding, and suggestions for needed research.

Martens, C. S.↗

NASA NTRS1989

Making Excited Oxygen Molecules And Atoms

Oxidation of semiconductors and high-temperature superconductors achieved at lower temperatures by use of oxygen molecules or atoms raised into specific excited states. Use of excited oxygen (or other species) of interest in research on kinetics and mechanisms of chemical reactions. Used in ultra-high-vacuum chamber also equipped for such surface-analytical techniques as x-ray photoelectron spectroscopy.

Vasquez, Richard P.↗

NASA NTRS1989

Cyclic deformation, fatigue and fatigue crack propagation in Ni-base alloys

Ni-base superalloys' cumulative glide behavior, damage accumulation, low-cycle fatigue, and crack propagation characteristics are directly dependent on deformation behavior which is in turn a strong function of microstructural characteristics. Microstructural instabilities and environmental interactions become additional factors at elevated temperatures. An account is presently given of microstructural, chemical, and processing techniques that may be used to obtain the properties that appear most critical or desirable in specific applications.

Antolovich, Stephen D.↗

NASA NTRS1992

Correlation Of N2O And O3 In The Atmosphere

Report describes study of correlation between concentrations of nitrous oxide and ozone in atmosphere of Antarctic region during late austral winter. Strong anticorrelation provides signature of air in lower stratosphere; alteration of correlation at specific sites indicate loss of ozone or mixing of perturbed and unperturbed air. Positive correlation interpreted as evidence of chemical depletion of ozone or horizontal mixing of normal air from lower stratosphere with ozone-depleted air from vortex.

Strahan, S. E.↗

NASA NTRS1994

31st JANNAF Combustion Subcommittee Meeting

This volume, the first of our volumes, is a collection of 32 unclassified/unlimited papers which were presented at the 31st Joint Army-Navy-NASA-Air Force (JANNAF) Combustion Subcommittee Meeting in conjunction with the Exhaust Plume Technology Subcommittee and SPIRITS User Group Meeting held 17-21 October 1994 at the Lockheed Missiles and Space Company, Sunnyvale, California. Specific subjects discussed include: combustion characteristics of metallized solids in nozzles and plumes; airbreathing propulsion; advanced and electrothermal-chemical guns; gun propellant ignition and interior ballistics; liquid propellant guns; liquid propellant combustion and combustion oscillation and liquid rocket engine combustion.

Gannaway, Mary T.↗

NASA NTRS1997

The Remote Sensing of Mineral Aerosols and their Impact on Phytoplankton Productivity

The overall objective of this experiment was to test the iron hypothesis does the addition of iron to nutrient rich surface waters enhance productivity? Our specific objectives in this experiment included sampling and studying the marine aerosol size and type (which are related to chemical reactivity) during the PlumEx cruise to determine the importance of local (Galapagos Islands) versus long-range sources of atmospheric material. Detailed results of single particle analysis of our samples are being prepared for publication in two papers. We collect aerosol samples and they have been analyzed for trace metals and other elements. We are mapped aerosol distribution and the desert source areas around the Arabian Sea region. We did record a clear relationship between the aerosol radiance and synoptic weather patterns with distinct signals over the ocean northwest and southwest of Australia. While the interpretation was limited an aerosol climatology pattern was presented.

Tindale, Neil W.↗

NASA NTRS2001

The Effect of Microgravity on the Growth of Silica Nanostructures

The process of the formation of structures from coagulating ensembles is fundamentally important since the collective behavior of the constituents often results in dramatically improved or unusual mechanical, thermal, chemical, and optical properties. In this study we examine the effect of microgravity on the formation of silica structures, specifically particles and gels.

Smith, D. D.↗

NASA NTRS2001

Solar-Thermal Engine Testing

A solar-thermal engine serves as a high-temperature solar-radiation absorber, heat exchanger, and rocket nozzle. collecting concentrated solar radiation into an absorber cavity and transferring this energy to a propellant as heat. Propellant gas can be heated to temperatures approaching 4,500 F and expanded in a rocket nozzle, creating low thrust with a high specific impulse (I(sub sp)). The Shooting Star Experiment (SSE) solar-thermal engine is made of 100 percent chemical vapor deposited (CVD) rhenium. The engine 'module' consists of an engine assembly, propellant feedline, engine support structure, thermal insulation, and instrumentation. Engine thermal performance tests consist of a series of high-temperature thermal cycles intended to characterize the propulsive performance of the engines and the thermal effectiveness of the engine support structure and insulation system. A silicone-carbide electrical resistance heater, placed inside the inner shell, substitutes for solar radiation and heats the engine. Although the preferred propellant is hydrogen, the propellant used in these tests is gaseous nitrogen. Because rhenium oxidizes at elevated temperatures, the tests are performed in a vacuum chamber. Test data will include transient and steady state temperatures on selected engine surfaces, propellant pressures and flow rates, and engine thrust levels. The engine propellant-feed system is designed to Supply GN2 to the engine at a constant inlet pressure of 60 psia, producing a near-constant thrust of 1.0 lb. Gaseous hydrogen will be used in subsequent tests. The propellant flow rate decreases with increasing propellant temperature, while maintaining constant thrust, increasing engine I(sub sp). In conjunction with analytical models of the heat exchanger, the temperature data will provide insight into the effectiveness of the insulation system, the structural support system, and the overall engine performance. These tests also provide experience on operational aspects of the engine and associated subsystems, and will include independent variation of both steady slate heat-exchanger temperature prior to thrust operation and nitrogen inlet pressure (flow rate) during thrust operation. Although the Shooting Star engines were designed as thermal-storage engines to accommodate mission parameters, they are fully capable of operating as scalable, direct-gain engines. Tests are conducted in both operational modes. Engine thrust and propellant flow rate will be measured and thereby I(sub sp). The objective of these tests is to investigate the effectiveness of the solar engine as a heat exchanger and a rocket. Of particular interest is the effectiveness of the support structure as a thermal insulator, the integrity of both the insulation system and the insulation containment system, the overall temperature distribution throughout the engine module, and the thermal power required to sustain steady state fluid temperatures at various flow rates.

Tucker, Stephen↗