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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 199 records · Page 11

Fabrication of Tantalum and Hafnium Carbide Fibers via Forcespinning TM for Ultrahigh‐Temperature Applications

In this work, a novel method for producing ultrafine tantalum and hafnium carbide fibers using the Forcespinning TM technique via a nonhalide‐based sol‐gel process was investigated. An optimal solution viscosity range was systematically determined via rheological studies of neat PAN/DMF as a function of fiber formation. Subsequently, Forcespinning TM parameters were also systemically studied to determine the optimal rotational velocity and spinneret‐to‐collecting rod distance required for ideal fiber formation. TaC and HfC fibers were synthesized via Forcespinning TM utilizing a mixture of PAN and refractory transition metal alkoxides (i.e., tantalum (V) ethoxide and hafnium (IV) tert‐butoxide) in DMF solution based on optimal conditions determined from the neat PAN/DMF. In all instances after calcination, powder X‐ray diffraction (PXRD) and energy dispersive spectroscopy (EDS) indicated that TaC and HfC fibers were produced. TGA/DSC confirmed the chemical stability of the resulting fibers.

Lee, Harold O.↗

Scalable production of recombinant three-finger proteins: from inclusion bodies to high quality molecular probes

The three-finger proteins are a collection of disulfide bond rich proteins of great biomedical interests. Scalable recombinant expression and purification of bioactive three-finger proteins is quite difficult. We introduce a working pipeline for expression, purification and validation of disulfide-bond rich three-finger proteins using E. coli as the expression host. With this pipeline, we have successfully obtained highly purified and bioactive recombinant α-Βungarotoxin, k-Bungarotoxin, Hannalgesin, Mambalgin-1, α-Cobratoxin, MTα, Slurp1, Pate B etc. Milligrams to hundreds of milligrams of recombinant three finger proteins were obtained within weeks in the lab. The recombinant proteins showed specificity in binding assay and six of them were crystallized and structurally validated using X-ray diffraction protein crystallography. Our pipeline allows refolding and purifying recombinant three finger proteins under optimized conditions and can be scaled up for massive production of three finger proteins. As many three finger proteins have attractive therapeutic or research interests and due to the extremely high quality of the recombinant three finger proteins we obtained, our method provides a competitive alternative to either their native counterparts or chemically synthetic ones and should facilitate related research and applications.

59 BASIC BIOLOGICAL SCIENCES↗

Assessing the Influence of Climate on the Spatial Pattern of West Nile Virus Incidence in the United States

West Nile virus (WNV) is the leading cause of mosquito-borne disease in humans in the United States. Since the introduction of the disease in 1999, incidence levels have stabilized in many regions, allowing for analysis of climate conditions that shape the spatial structure of disease incidence. Our goal was to identify the seasonal climate variables that influence the spatial extent and magnitude of WNV incidence in humans. We developed a predictive model of contemporary mean annual WNV incidence using U.S. county-level case reports from 2005 to 2019 and seasonally averaged climate variables. We used a random forest model that had an out-of-sample model performance of R 2 =0.61. Our model accurately captured the V-shaped area of higher WNV incidence that extends from states on the Canadian border south through the middle of the Great Plains. It also captured a region of moderate WNV incidence in the southern Mississippi Valley. The highest levels of WNV incidence were in regions with dry and cold winters and wet and mild summers. The random forest model classified counties with average winter precipitation levels <23.3 mm/month as having incidence levels over 11 times greater than those of counties that are wetter. Among the climate predictors, winter precipitation, fall precipitation, and winter temperature were the three most important predictive variables. We consider which aspects of the WNV transmission cycle climate conditions may benefit the most and argued that dry and cold winters are climate conditions optimal for the mosquito species key to amplifying WNV transmission. Our statistical model may be useful in projecting shifts in WNV risk in response to climate change.

60 APPLIED LIFE SCIENCES↗

Data for Natural Deep Eutectic Solvents (NADES) Assisted Deconstruction of Oilcane Bagasse for High Lipid and Sugar Recovery

In a novel approach, metabolically engineered sugarcane “Oilcane” has been investigated for fractionation of lipid and cellulose-rich pulp, using certain Natural deep eutectic solvents (NADES). The exploration of eco-friendly solvents are at the forefront of harnessing the biofuel potential of modern bioenergy crops. For this, six combinations of NADES were prepared using choline chloride (ChCl) as HBA and lactic acid (LA), oxalic acid (OA) and glycerol (Gly) as HBD and were further explored for pretreatment of oilcane bagasse in a molar ratio of 1:1 and 1:2. The impact of NADES ratio, biomass loading (10–50%), residence time (1–2 h), and temperature (90–140 °C) were evaluated for delignification, lipid content, sugar release after enzymatic hydrolysis. The finding demonstrated that under the optimal condition of ChCl: LA (1:2 molar ratio), 140 °C with 2 h retention time, the lipid content in the pre-treated substrate was increased to 2.5-fold (∼8% w/w) and > 80% glucose yield was achieved after 72 h of hydrolysis of pre-treated bagasse. High solid loading (∼50%) during pretreatment resulted in a similar glucose yield. Furthermore, recycling studies demonstrated that nearly 95 to 98% NADES could be recycled after each pretreatment for up to five consecutive cycles without any significant loss in chemical structure as confirmed by 1H NMR and FT IR. FT IR and XRD analyses of native and pre-treated biomass were performed to visualize the morphological changes during NADES pretreatment and their impact on sugar yield. The findings of the study may be used to establish NADES-based biorefinery for the valorization of lipids, and carbohydrates for fuels and chemicals production.

Conversion↗

Data for Solvent-Free Enzymatic Esterification of Free Fatty Acids with Glycerol for Biodiesel Application: Optimized Using the Taguchi Experimental Method

Presence of free fatty acids along with glycerides poses a technical difficulty for biodiesel production. This work used a Taguchi L9 design to optimize the solvent-free enzymatic process to result in the esterification of oleic acid with glycerol. Under optimal conditions the esterification reaction temperature of 60°C, enzyme dose of 5 wt%, glycerol: oleic acid molar ratio of 5:1, and reaction time of 3 h, a 75.235 ± 2.19% conversion of oleic acid to esters was achieved. With the addition of molecular sieves, the conversion increased to 86.73% ± 1.09%. However, using the parameters predicted by Taguchi design (60°C, 5 wt%, 5:1, and 4.5 h), 88.5% ± 1.11% of oleic acid could be converted to esters derivative. Diglycerides were the major product, and the reaction equilibrium was attained after 4 h. The immobilized enzyme could be used up to seven times with only a 10% reduction in the conversion. Thus, the process can efficiently reduce the free fatty acid content of oil to make it suitable for biodiesel production.

Conversion↗

Data for A Consolidated Bioprocess Design to Produce Multiple High-Value Platform Chemicals from Lignocellulosic Biomass and Its Technoeconomic Feasibility

5-hydroxymethyl furfural (HMF) and furfurals are DOE-listed platform chemicals that can be derived from the renewable carbon in the lignocellulosic biomasses and have the potential to replace petroleum-derived alternatives. High substrate cost and use of expensive solvents limit the economic feasibility of bio-based HMF production on an industrially relevant scale. The study presents an experimental optimized condition that maximizes the chemical-free production of HMF and furfurals without lowering the yield of total fermentable sugars from Saccharum bagasse. Hydrothermal pretreatment at 210 °C for 15 min yielded approximately 10%, 12%, and 46% of HMF, furfurals, and fermentable sugars per gram of dry biomass, respectively. Additionally, the study proposes a consolidated bioprocess model to produce and recover four high-value bioproducts i.e., HMF, furfurals, ethanol, and acetic acid based on the experimental results and evaluates its technoeconomic feasibility considering HMF as the main product. The minimum selling price (MSP) of HMF was estimated to be 930.6 USD/t which is competitive with its petroleum-derived precursor alternative p-xylene (1,113 USD/t). The sensitivity analysis performed for the process parameters suggests that pretreatment cost and revenues from coproducts immensely influence the MSP of HMF. The preliminary technoeconomic analysis performed on the consolidated bioprocess design indicates that additional revenue streams from diversified coproducts in biorefineries aid in lowering the MSP of high-value bioproducts.

Conversion↗

Role of the Porras factor in phase matching of high-order harmonic generation driven by focused few-cycle laser pulses

We investigate the role of the Porras factor (or laser focusing effect) on the macroscopic high-order harmonic generation (HHG) driven by a focused broadband few-cycle laser beam. By employing a non-adiabatic phase-matching analysis method, we reveal that phase mismatch due to the induced-dipole phase varies with the Porras factor, which is dominant in phase matching at low gas pressure. We also find that in a strongly ionized medium when gas pressure is high, the nonlinear propagation is dominated by a plasma effect such that the focusing effect is mitigated, resulting in similar poor phase matching of HHG regardless of the Porras factor. Our results are expected to assist experimentalists identifying optimal conditions for HHG using ultrashort laser pulses.

Optics↗

Bi-chromatic intensity squeezing using four-wave mixing in 85 Rb vapor

We experimentally investigate four-wave mixing (FWM) in a diamond interaction scheme using 85 Rb vapor, and identify the optimal conditions for joint amplification and relative intensity squeezing of two optical fields: one near the 85 Rb D1 optical transition (λ = 794.6 nm) and the other in the telecom O-band (λ = 1324 nm). We achieved a reduction of relative intensity noise by up to 2.6 ± 0.4 dB compared with the shot noise level, signifying the non-classical quantum correlations. The observed level of intensity squeezing is primarily limited by the available pump laser power, which constrains the achievable FWM gain. Numerical simulations show good agreement with the experimental results.

74 ATOMIC AND MOLECULAR PHYSICS↗

Enhancement of the electrochemical performance of LiFePO 4 cathode material by nanosecond laser annealing

Pulsed laser annealing of LiFePO 4 can improve conductivity by increasing oxygen vacancy-related defect concentration; this approach can improve the current carrying capacity of LIB cathodes from 135 to 145 mAh g −1 under optimized conditions. Since the depth of the laser annealing region is less than 1 µm, the increase is equivalent to a 125% overall improvement in the charge capacity if the entire thickness of the LiFePO 4 region is treated by pulsed laser annealing. Pulsed laser annealing has two primary effects on the atomic structure of LiFePO 4 , namely an increase in anionic vacancy concentration and antisite defect concentration.

25 ENERGY STORAGE↗

Ion Generation Using Frozen Xenon Target for Laser Ion Source

A frozen laser target that is in the gaseous phase at room temperature is advantageous for a laser ion source because it can avoid the accumulation of damage from laser irradiation by regeneration of the target surface by additional gas freezing. In this study, the possibility of forming a xenon ion beam with a current sufficient for heavy-ion inertial fusion (HIF) was investigated. The relationship between the frozen target growth and resulting ion current was analyzed to determine the optimal condition of laser irradiation that ensures stable supply of ion beams for a long time. A frozen target of xenon was formed on a mount cooled to 20 K using a Gifford McMahon cryocooler, and plasma was generated using a Nd:YAG laser. Here, the results showed that it is possible to supply a sufficient ion current for application of singly charged ions as a driver for HIF. Additionally, it was indicated that the xenon responsible for forming the plasma existed only at a certain depth from the target surface. The results imply that it is possible to obtain a stable ion supply for a long time by irradiating the target with a laser after the frozen xenon grows to a sufficient thickness.

43 PARTICLE ACCELERATORS↗

Bound Constrained Partial DifferentialEquation Inverse Problem Solution by theSemi-Smooth Newton Method

We present the mathematical derivation, software implementation details, and computational results for a semi-smooth Newton method applied to two inverse problems governed by partial differential equations with bound constraints. The two problems share mathematical structural similarities to density-based topology optimization problems. The semi-smooth Newton method provides a mesh independent solution computation for the two test problems. A key step is that the complementarity part of the necessary optimality conditions are reformulated with the use of a complementarity functionφsuch that the complementarity conditions are satisfied if and only if a zero of a nonsmooth function has been obtained. The modular finite element package MFEM is utilized for the software implementation. In addition we constructed a matrix-free Operator to enable the use of efficient Krylov subspace IterativeSolver of MFEM for the solution of our two target problems.

97 MATHEMATICS AND COMPUTING↗

Synthesis and Exploratory Catalysis of 3d Metals: Atom and Group-Transfer Reactions and the Activation and Functionalization of Small Molecules Including Greenhouse Gases

Determining ways to convert natural gas, with zero emissions, and to more value-added materials such as olefins is one of the main goals in my research group. Over this funding period, we explored the chemistry of early-transition metals with metal-nitrogen multiple bonds, specifically titanium and zirconium nitrides, and explored their redox properties, basicity and reactivity with small molecules including greenhouses gases such as carbon dioxide. Some of these work serve as inspiration for the chemistry of important materials such as uranium nitride along with its unprecedented basicity and ability to activate C-H bonds. Using robust chelating templates we also examined rare examples of trivalent group 4 transition metal ions, and studied these spectroscopically. Using early transition metal ions we also explored synthetic routes to new phosphide based products using the phosphaethynolate salt. In addition, we also explored the chemistry of ferrous systems, and redox active ligand that can allow us to reversibly break and make C-S as well as N-N bonds, activate dinitrogen forming unusual MNNM topologies. Our final component describes how we activate methane and dehydrocouple if with a carbene source to form ethylene. Using this information, we also discovered a simple to make iridium catalyst that activate and functionalize methane with 9:1 selectivity for mono-functionalization. We have established a pathway that leads to poisoning of the catalyst and have found optimal conditions for higher selectivity and with over 170 Turnovers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Fundamental Studies on the Recovery of Rare Earth Elements from Coal and Coal Byproducts (Final Product Report)

The objective of this project was to collect fundamental information that can be used to develop disruptive physical and chemical separation methods that may be used to extract the rare earth elements (REEs) from coal-based feedstocks in a highly efficient, cost-effective, and environmentally benign manner. To meet the stated objective, a set of interrelated fundamental studies have been conducted. The project has been subdivided into three broad areas of tasks as follows, (1) measurement of surface forces in the thin liquid films (TLFs) of water confined between two macroscopic surfaces to establish the optimal conditions for efficiently collecting the ultrafine particles of rare earth minerals (REMs) present in the coal-based feedstocks using the flotation and/or the hydrophobic-hydrophilic separation process(es), (2) identification of the fundamental mechanisms by which REE ions adsorb and desorb on clay minerals present in coal byproducts, and the characterization of the ion-adsorption clays (IACs) present in U.S. coals, and (3) developing methods of extracting the REEs from the REMs and IACs present in US coal byproducts in a cost-effective and sustainable manner.

01 COAL, LIGNITE, AND PEAT↗

Development of an All-Aqueous Thermally Regenerative Redox Flow Battery to Support Fossil Fuel Assets

Low-temperature thermal energy, a largely untapped resource, holds significant promise for large-scale electrical power generation globally. Various stationary sources, including industrial entities and thermal power plants, emit considerable low-temperature heat that currently remains unutilized. This energy is often overlooked because its low temperature renders it unsuitable for efficient power generation using conventional methods. However, current research is exploring diverse technologies capable of converting low-temperature heat into grid-scale power, aiming to enhance grid efficiency, further decarbonization initiatives, and facilitate a shift toward more decentralized power systems. One such innovative technology is the thermally regenerative battery (TRB), noted for its high power and energy densities compared to similar technologies, positioning it as a potential game-changer in power generation. TRBs integrate two scalable and well-established unit operations: a redox flow battery and a distillation column. This integration suggests that once an effective TRB chemistry is established, the pathway to commercialization could be expedited. The copper-based thermally regenerative ammonia battery (Cu aq -TRAB) stands out as the first TRB that circumvents electrodeposition/dissolution reactions, stabilizing Cu(I) and Cu(II) within the electrolyte and maintaining stability of all electroactive species in an aqueous phase. This stabilization has led to improvements in coulombic efficiency, open circuit potential, and copper solubility, thereby enhancing power density, energy density, and overall energy efficiency. Preliminary tests were conducted to determine the effects of various electrolyte species on the performance metrics of the battery, both theoretically and experimentally. These tests revealed that the solubility of copper in the Cu aq -TRAB electrolyte was constrained by the Cu(I)-NH 3 complex. Adjusting the background electrolyte to 5 M NH4Br and the ligand concentration to 4 M NH 3 enabled the copper concentration to reach a maximum of 0.6 M. This modification led to an estimated theoretical maximum energy density of 9.5 Wh L -1 for the Cu aq -TRAB. Additionally, full cell testing indicated a tradeoff between peak power and energy density with varying copper and ammonia concentrations. Increasing the applied current density during discharge linearly raised the average power output, with a minimal reduction in energy density due to a balance between higher ohmic overpotential and reduced time for undesirable ammonia crossover. Furthermore, a comprehensive numerical sensitivity analysis of the complete Cu aq -TRAB system was performed. This analysis aimed to assess how the battery and the distillation column responded to changes in system input parameters, providing insights into optimal research directions for enhancing system performance. The analysis revealed that at room temperature, battery power was significantly more sensitive to ohmic losses than to mass transfer, with reaction rates having minimal impact. This trend continued even at higher temperatures. Also, the thermal energy required for ammonia separation was studied, showing that increased temperatures generally reduced energy requirements, except in low-pressure scenarios above 65 °C. An investigation into membrane performance in the Cu aq -TRAB was undertaken, given the significant impact of ammonia transport control and ohmic losses on system performance. Various membranes were evaluated to identify key performance metrics. Among the tested membranes, Selemion CMVN exhibited the highest performance, with a peak power density of 84 mW cm -2 and average values of 26 ± 6.8 mW cm -2 for power density and 2.9 Wh L -1 for energy density at an applied current density of 50 mA cm -2 . An economic assessment indicated a levelized cost of storage at $410 per MWh under optimal conditions, highlighting the commercial potential of the Cu aq -TRAB when utilizing cost-effective, readily available materials.

25 ENERGY STORAGE↗

Rapid Laser Reactive Sintering of Garnet Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 and Li 6.1 La 3 Zr 2 Al 0.3 O 12 and Solid-State Electrolytes

All solid-state lithium-ion batteries (ASSLIBs) have gained significant interest in recent years due to their wide range of applications, including mobile devices, electric vehicles, and grid storage. Garnet-type Li 7 La 3 Zr 2 O 12 (LLZO) solid-state electrolyte (SSE) continues to be a significant player in the fabrication of ASSLIBs with excellent ionic conductivity on the order of 10 -3 S•cm -1 with the integration of dopants and sintering aids to assist conductivity and structural evolution during the sintering procedure. Traditional sintering techniques, such as solid-state sintering (SSS), have been proven to yield desirable crystal structures. However, the low ionic conductivity results from inferior microstructure, and lithium loss is a significant challenge. Recently, a relatively novel sintering process called rapid laser sintering (RLS) has shown great potential for achieving fully dense solid oxide electrolytes with less lithium loss, resulting in high ionic conductivity [1] [2] [3] [4]. Here, we applied a modified RLS method using precursor powders instead of pre-synthesized LLZO powders to fabricate Al-doped LLZO (Li 6.1 La 3 Zr 2 Al 0.3 O 12 + 13 wt% Li 2 CO 3 ) and Ta-doped LLZO (Li 6.4 La 3 Zr 1.4 Ta 0.6 O 12 + 5 wt% LiOH•H 2 O) dense electrolytes. This rapid laser reactive sintering (RLRS) could potentially reduce the number of processing steps and therefore lower the manufacturing cost. We hope the rapid high-temperature sintering can densify the electrolyte and avoid the lithium loss for achieving high lithium-ion conductivity. In this work, we optimized a combination of laser parameters (speed and power), initial precursor composition, and controlled atmospheres to discover the optimal conditions for reaching the efficacious crystal structure, microstructure, and ionic conductivity.

25 ENERGY STORAGE↗

Demonstration of Multi-Gamma Based Sensor Technology for As-Fired Coal Property Measurement

This project demonstrated the application of the use of an advanced multigamma attenuation (MGA) sensor to accurately and precisely measure coal properties at the point of injection into burners. Accurate and precise coal property information at the burner provides the opportunity to adjust burner parameters to better follow changing load condition, optimize flame stability, and decrease nitrogen oxide formation at each burner. In addition, coal property information at the burner will assist in managing slag flow behavior, fireside ash related deposition, corrosion, and erosion issues. The advantage of having multiple gamma emitters is that the atomic/elemental interaction with the gamma energy takes place at several energies and the resulting attenuation is dependent upon the atomic number of the atom/element encountered in the coal.

01 COAL, LIGNITE, AND PEAT↗

Evaluation of Rooftop Solar Potential in Chernihiv and Lviv, Ukraine, and Efficacy of High-Resolution 3D Data Digital Twins [Slides]

NREL evaluated rooftop solar photovoltaic (PV) siting opportunities in the cities of Chernihiv and Lviv, Ukraine, leveraging very-high-resolution 3D elevation data to calculate technical potential. The study assessed total rooftop solar capacity and annual energy production. In Chernihiv and Lviv, 116,503 buildings were analyzed for their rooftop solar potential. The buildings in the study areas include a mixture of residential, commercial, and industrial buildings, characterized by diverse roof shapes and sizes. The total estimated rooftop solar capacity is 332 MWDC in Chernihiv and 873 MWDC in Lviv with annual energy production up to 376.2 GWhDC in Chernihiv and 995.5 GWhDC in Lviv. This accounting provides a clear estimate of the potential rooftop solar installations that could be realized under optimal conditions, considering both technical constraints and the geographic distribution of available rooftop space. Related to Russia's invasion of Ukraine, NREL estimates loss from buildings damaged or destroyed of 2,754 buildings, 20.15 MWDC of capacity, and 22,869 MWhDC of annual energy production in Chernihiv as well as a loss of 1,316 buildings, 34.49 MWDC of capacity, and 39,369 MWhDC of annual energy production in Lviv. The study also assessed the feasibility of adapting this methodology on a national scale using either simulated digital surface models (DSMs) or a digital twin approach. While the very-high-resolution DSM provided more precise results, the simulated DSM demonstrated reasonable accuracy for broader applications in modeling aggregated distributed solar supply. The feasibility of using a digital twin for Ukraine's national rooftop solar potential is considered promising, with certain limitations in areas with highly variable building stock and heavy war damage.

14 SOLAR ENERGY↗

Geochemical and Hydromechanical Stimulation for Reaction Acceleration (GeoHydRA) of Serpentinization for In Situ Hydrogen Production

The project team aims to develop an innovative approach to stimulate geological hydrogen generation by enhancing in-situ serpentinization of ultramafic rocks. This method can maximize hydrogen production by promoting reactive surface areas through controlled fracturing and optimizing fluid chemistry and flow rates. Key objectives include establishing optimal conditions for hydrogen generation, investigating subsurface limitations, and sustaining production via hierarchical crack systems.

08 HYDROGEN↗