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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Atomic-layer engineering of nickelates (in search of novel superconductors)

Karl Alex Mueller's intuition was that the nature of mobile charge carriers in manganates and nickelates should be like those in cuprates, which he believed were Jahn-Teller polarons, so he expected them to also host high-temperature superconductivity (HTS). Following his suggestions and persuasion, in the past, we performed several experiments that included atomic-layer-by-layer synthesis of novel, metastable manganates and nickelates. Despite our efforts and several USO sightings, here we failed to find any reproducible superconductivity and dropped the project fifteen years ago. Our results are presented here, for the first time - timely, since HTS was very recently discovered in nickelates (under pressure). So, whether his opinions were on the mark or not, Alex did guess it right - again.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Novel deformation function creating or destroying any number of even kink solutions

Here, we present a one-parameter family of deformation functions f(Φ) which have novel properties. Firstly, the deformation function is its own inverse. We show that a class of potentials remains invariant under this deformation. Further, when applied to a certain class of kink bearing potentials, one obtains potentials which are not bounded from below. Besides, we show that there is a wide class of potentials having power law kink tails which are connected by this deformation but the corresponding kink tails of the two potentials have different asymptotic behavior. Finally, we show that when this deformation function is applied to an appropriate one-parameter family of potentials having two kink solutions, it creates new potentials with an arbitrary even number (2n) of kink solutions. Conversely, by starting from this potential with 2n kink solutions the deformation function annihilates 2n-2 kinks and we get back the potential which we started with having only two kink solutions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

A novel peridynamics-based approach to predict pharmaceutical tablet robustness

The pharmaceutical drug product development process can be greatly accelerated through the use of modeling and simulation techniques to predict the manufacturability and performance of a given formulation. The anticipation and possible mitigation of tablet damage due to manufacturing stresses represents a specific area of interest in the pharmaceutical industry for predicting formulation and tableting performance. While the finite element method (FEM) has been extensively used for predicting the mechanical behavior of powder material in the compaction processes, a shortcoming of the approach is the inherent difficulty to predict discontinuities (e.g., damage or cracking) within a tablet as FEM is a continuum-based approach. In this work, we propose a novel method utilizing peridynamics (PD), a numerical method that can capture discontinuities such as tablet fracture, to predict the evolution of damage and breakage in pharmaceutical tablets. The approach links (1) the finite element method – to elucidate the behavior of powders during die compaction – with (2) the peridynamics modeling technique – to model the discontinuous nature of damage and predict tablet breakage during the critical stages of unloading and ejection from the compression die. This short communication presents a proof of concept including a workflow to calibrate the linked FEM-PD simulation models. Further, it demonstrates promising results from a preliminary experimental validation of the approach. Following further development, this approach could be used to guide the optimization of compression processes through targeted changes to formulation material properties, compression process conditions, and/or tooling geometries to deliver improved process efficiency and tablet robustness.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Detection of the keto-enol tautomerization in acetaldehyde, acetone, cyclohexanone, and methyl vinyl ketone with a novel VUV light source

The discovery of enols in combustion environments and our atmosphere has garnered increasing attention to the many unanswered questions surrounding enol chemistry. The scarcity of experimental data concerning these enols renders combustion and atmospheric models with a lack of constraining parameters, leading to varying computational predictions. Experimental detection is difficult because mass spectrometry, a powerful tool for probing a wide variety of species, cannot distinguish between enols and their thermodynamically favorable ketone isomers. A solution to this ambiguity is to use tunable vacuum ultraviolet (VUV) light from a synchrotron to identify the presence of the enol by its lower ionization energy compared to the isomer. We present a tabletop-scale VUV light source that implements highly cascaded harmonic generation, a new regime of cascaded nonlinear optics, to provide a set of spectral lines spaced by 1.2 eV. We demonstrate that the variety of photon energies available allows us to detect the keto-enol tautomerization of four aldehydes and ketones. By combining this novel VUV light source with an established microreactor, we first revisit the formation of vinyl alcohol from acetaldehyde and confirm that the observed isomerization is indeed unimolecular. Secondly, we observe the thermal tautomerization of acetone to propen-2-ol for the first time. Finally, we observe the thermal tautomerization of cyclohexanone to 1-cyclohexenol and methyl vinyl ketone to 2-hydroxybutadiene, where the results are in good agreement with those reported at a synchrotron. Furthermore, our measurements can be used to constrain models, inform future experimental studies of enol reactivity, and potentially enhance current understanding of combustion and environmental chemistry.

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

Novel ammonia recovery from anaerobic digestion by integrating biogas stripping and gypsum absorption

Recovering ammonia from anaerobic digestion (AD) effluent offers the opportunity to produce a renewablefertilizer and reduce environmental impact. A novel process developed for such an application was evaluatedduring this study. The feature of the process is integrating biogas stripping and gypsum (CaSO 4 •2H 2 O) absorption. The result revealed that the lower CO 2 content and the absorption temperature contributed the higherefficiency of ammonia recovery. The gypsum solution recovered around 95% of the stripped ammonia when thestripping gas contained 10% CO 2 and it rose to 100% when the gas contained more than 30% CO 2 . Furthermore,a statistical model and genetic algorithm were applied to estimate the total ammonia recovery and optimize theoperating parameters. The experimental and modeling results indicated that integrating biogas stripping withgypsum absorption can effectively harvest ammonia nitrogen and reduce CO 2 emissions while producing(NH 4 ) 2 SO 4 fertilizer from AD effluent.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Persistent global greening over the last four decades using novel long-term vegetation index data with enhanced temporal consistency

Advanced Very High-Resolution Radiometer (AVHRR) satellite observations have provided the longest global daily records from 1980s, but the remaining temporal inconsistency in vegetation index datasets has hindered reliable assessment of vegetation greenness trends. To tackle this, we generated novel global long-term Normalized Difference Vegetation Index (NDVI) and Near-Infrared Reflectance of vegetation (NIRv) datasets derived from AVHRR and Moderate Resolution Imaging Spectroradiometer (MODIS). We addressed residual temporal inconsistency through three-step post processing including cross-sensor calibration among AVHRR sensors, orbital drifting correction for AVHRR sensors, and machine learning-based harmonization between AVHRR and MODIS. After applying each processing step, we confirmed the enhanced temporal consistency in terms of detrended anomaly, trend and interannual variability of NDVI and NIRv at calibration sites. Our refined NDVI and NIRv datasets showed a persistent global greening trend over the last four decades (NDVI: 0.0008 yr -1 ; NIRv: 0.0003 yr -1 ), contrasting with those without the three processing steps that showed rapid greening trends before 2000 (NDVI: 0.0017 yr -1 ; NIRv: 0.0008 yr -1 ) and weakened greening trends after 2000 (NDVI: 0.0004 yr -1 ; NIRv: 0.0001 yr -1 ). These findings highlight the importance of minimizing temporal inconsistency in long-term vegetation index datasets, which can support more reliable trend analysis in global vegetation response to climate changes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Novel textured surfaces for superior corrosion mitigation in molten carbonate salts for concentrating solar power

Corrosion of metals in contact with molten salts used for thermal energy storage and heat transport at high temperatures is a serious impediment to the development of next-generation concentrating solar thermal systems. Toward addressing this limitation, novel multiscale fractal-textured Ni coatings on a variety of substrate alloys are presented in this study for exceptional corrosion mitigation in molten carbonate salts at a high temperature. Strongly adherent, durable, single-layer, and double-layer multiscale fractal coatings were fabricated using the electrodeposition method. Corrosion performance of the coatings on SS310, SS316, SS347, and In800H was studied in molten carbonate salt (32% Li 2 CO 3 +33% Na 2 CO 3 +35% K 2 CO 3 ) at 750 °C. Single-layer coatings are stable up to 300 h immersion, whereas double-layer coatings are stable beyond 750 h. The corrosion rate of double-layer Ni coatings on ferrous alloys was reduced by as much as 60% from that of uncoated surfaces and was about 18% below that of higher cost, high Ni content Ha230. The study represents the first-ever report of corrosion characteristics of alloys in carbonate salts at 750 °C and the first demonstration of a means of dramatically reducing corrosion in carbonate salts at a high temperature. The article is significant in that it provides a viable approach for low-cost structural alloys to be corrosion-resistant to molten carbonate heat transfer fluids and storage media in high-temperature concentrating solar thermal applications. Furthermore, the corrosion-resistant coatings provide opportunities for the use of low-cost, ferritic alloys instead of the expensive nickel-based alloys in practice.

14 SOLAR ENERGY↗
DOE OSTI2021

Novel nucleocytoplasmic protein O -fucosylation by SPINDLY regulates diverse developmental processes in plants

Here, in metazoans, protein O-fucosylation of Ser/Thr residues was only found in secreted or cell surface proteins, and this post-translational modification is catalyzed by ER-localized protein O-fucosyltransferases (POFUTs) in the GT65 family. Recently, a novel nucleocytoplasmic POFUT, SPINDLY (SPY), was identified in the reference plant Arabidopsis thaliana to modify nuclear transcription regulators DELLAs, revealing a new regulatory mechanism for gene expression. The paralog of AtSPY, SECRET AGENT (SEC), is an O-link-N-acetylglucosamine (GlcNAc) transferase (OGT), which O-GlcNAcylates Ser/Thr residues of target proteins. Both AtSPY and AtSEC are tetratricopeptide repeat-domain-containing glycosyltransferases in the GT41 family. The discovery that AtSPY is a POFUT clarified decades of miss-classification of AtSPY as an OGT. SPY and SEC play pleiotropic roles in plant development, and the interactions between SPY and SEC are complex. SPY-like genes are conserved in diverse organisms, except in fungi and metazoans, suggesting that O-fucosylation is a common mechanism in modulating intracellular protein functions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Arsenic stabilization performance of a novel starch-modified Fe-Mn binary oxide colloid

Arsenic (As) is an environmentally hazardous contaminant and can be a serious threat to human health. In China, remediation needs for a large number of As-contaminated sites renders a strong demand for efficient remedial reagents and cost effective approaches. In this study, a novel starch-modified Fe-Mn binary oxide (SFM), an amorphous colloidal material, has been synthesized as a remedial reagent and its As stabilization performance has been evaluated. A set of laboratory batch experiments were carried out by directly adding SFM of different dosages into three contaminated soils. Results demonstrated that SFM could transform As in soil from non-specifically and specifically sorbed fractions to the more stable form bounded to amorphous iron hydrous oxides, thus reducing the As concentration in TCLP leachates by 42.0-93.2%. Results from adsorption tests and microscopic analysis indicated that the interactions between SFM and As are mainly controlled by adsorption, oxidation, and precipitation processes. SFM has abundant surface hydroxyl groups, with excellent adsorption properties for both As(V) and As(III), with the maximum adsorption capacities of 160.63 and 284.64 mg/g respectively at pH 7.0. The adsorption process closely fitted pseudo second-order kinetics and Freundlich isotherm model. SFM could increase soil Eh and oxidize As(III) to As(V), which facilitated the As stabilization in soilColloidal iron-based material directly used for stabilization in As contaminated soils is reported here for the first time. Starch modification improves both the reactivity and mobility of SFM in soil. Our findings propose an efficient and convenient reagent for As remediation in soil.

Yan, Xiulan↗
DOE OSTI2020

A novel stress-induced martensitic transformation in a single-phase refractory high-entropy alloy

High-entropy alloys (HEAs) provide a new perspective to design metastable alloys with the stress-induced martensitic transformation (SIMT) for overcoming the strength-ductility trade-off. Here, we report a novel SIMT, orthorhombic to hexagonal close-packed martensite, in a single orthorhombic refractory HEA (Ti 16 Zr 35 Hf 35 Ta 14 RHEA), showing a good yield strength-ductility matching. The analysis of the elastic distortion energy (ΔE els ) of Ti 16 Zr 35 Hf 35 Ta 14 and several other RHEAs reveals that severe lattice distortion is a key factor which causes this SIMT. Combined the “d-electron alloy design” approach with the ΔE els , the phase configuration and SIMT path in RHEAs can be well predicted. Our work brings new insights between the lattice distortion and SIMT of RHEAs, benefiting the metastable alloy development.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Novel alkali intercalated and acid-exfoliated biochars with enhanced surface areas for contaminant adsorption applications

Cost-effective and eco-friendly adsorbents are essential in environmental engineering and biochar is a promising material from the perspective. A novel and efficient surface modification approach involving alkali intercalation and acid exfoliation was designed in this study to enhance the physicochemical properties of biochar. Here, the alkali intercalation process utilizes potassium hydroxide (KOH), while acid exfoliation involves varying HNO 3 , H 2 SO 4 , and H 3 PO 4 concentrations. A simple two-stage pyrolysis process was employed to facilitate the intercalation-exfoliation modification. The modified biochars were characterized using BET, SEM, XRD, etc., to understand physicochemical properties. To quantify the effectiveness of the modifications, adsorption of malachite green dye as a model moiety was investigated. Dye removal sorption rates exceeding 99 % were recorded in the case of the biochars modified through a two-step process using KOH and 0.1MH 3 PO 4 . Specifically, the highest contaminant removal of 99.9 % was recorded when 60 mg of the KOH-0.1MH 3 PO 4 biochar was employed, which is significantly higher than unmodified biochar’s 45.41 % removal at a higher dosage of 100 mg. Moreover, the adsorption kinetics revealed that all the modified biochars attained the maximum removal concentrations (~99 % removal) in a mere 300 min, indicating a tenfold improvement in adsorption rate from unmodified biochar's requirement of over 5000 min. The results achieved through this study provide a cost-effective, fast, and environment-friendly technology for enhancing the adsorption characteristics and performance of biochars toward contaminant removal.

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

Aggregate residential demand flexibility behavior: A novel assessment framework

Residential demand flexibility (DF) could save the U.S. electric grid up to 10 GW of peak demand while supporting increased amounts of renewable generation. However, less than 40% of the estimated DF peak reduction capacity is currently realized, and less than 8% of American households are enrolled. These low participation rates are combined with high rates of "overriding" a DF event and eventual opt-outs among enrolled customers. There is still not a comprehensive understanding of the drivers of DF participation and occupant interaction with DF program signals. We, therefore, present a novel survey processing framework to assess occupant DF-relevant behavior from the American Time Use Survey (ATUS). Using the framework, we summarize both the extensive and intensive behavior of more than 200,000 ATUS respondents (2003-2018 data) and provide insights on the DF-relevant behavior of residential occupants, which is generally overlooked in the literature. Here we use the framework to identify the activity priorities of residential occupants in the United States during different DF-relevant periods (critical peak, peak, and off-peak). These preferred activities capture overlooked routine behaviors that could be barriers to DF participation, if ignored, and might explain the high levels of overrides often exhibited by participants of demand response.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Design of a novel carbon/carbon composite microvascular solar receiver

Solar thermal power tower systems are the primary technology being proposed for solar electricity from thermal energy. Operational limits on these towers are often driven by mechanical properties under significant thermal loads, particularly at the receiver where incoming flux is converted to thermal energy. While the solar receiver’s efficiency is largely driven by its optical properties, thermomechanical stresses on the receiver limits the operational envelope. One pathway to higher efficiency is greater allowable solar fluxes on the receiver but novel materials are required. The present study uses computational fluid dynamics to describe a parametric design space for a microvascular carbon/carbon composite solar receiver as a new material option for high flux solar receivers. Simulations are conducted for different microvascular geometries considering the role of material properties and heat transfer fluids, for the impact on thermal efficiency, and allowable strain. Results show that microscale receiver modules made of the proposed carbon/carbon composite could achieve thermal efficiencies over 90% and full-scale receivers can achieve up to 85% thermal efficiency for the design explored considering realistic strain limits, flux levels, and material properties. These values are highly dependent on the heat transfer fluid pairing, the through plane thermal conductivity of the carbon/carbon composite, the path architecture of the microscale receiver, and the incident solar flux profiles.

14 SOLAR ENERGY↗
DOE OSTI2021

Corrosion of novel reactive silver ink and commercial silver-based metallizations in diluted acetic acid

Silver-based metallizations in photovoltaic modules are susceptible to corrosion by acetic acid generated in ethylene vinyl acetate encapsulated modules, resulting in power losses over time. Here, three silver-based metallizations are exposed to diluted acetic acid, in concentrations representative of that found in field-exposed modules. Compositional, morphological, and structural changes of the metallizations are studied over 3000 h of exposure to diluted acetic acid using Raman spectroscopy mapping, X-ray diffraction, and scanning electron microscopy. The three metallizations studied are: 1) a commercial high-temperature fire-through Ag paste, commonly used for Si diffused junction solar cells; 2) a commercial low-temperature paste normally used for silicon heterojunction cells; and 3) a novel low-temperature reactive silver ink shown to be suitable for photovoltaic applications. We find distinct corrosion rates for the high-temperature silver paste and reactive silver ink in the presence of diluted acetic acid. However, the low-temperature silver paste appears to be more corrosion resistant, likely due to a polymer layer that protects the silver particles.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Electrochemical leaching of spent LIBs: Kinetics, novel reactor, and modeling

The use of electrons as main reagent for the recovery and recycling of critical metals from spent lithium-ion batteries (LIBs) is a process electrification strategy that can be used to close the life-cycle loop of LIBs through more sustainable methods. Electrochemical leaching, a process that uses a reductant that is constantly regenerated electrochemically for the leaching of lithium-ion battery black mass (LIBBM), has shown high extraction efficiencies and sustainable scores. However, slow kinetics, reactor design challenges and lack of deeper understanding of the underlying processes are barriers to the optimization, scale-up, and market adoption of this technology. In this paper, a kinetic study and mathematical model for dissolving LIBBM is presented to better understand the underlying mechanisms aiming to reduce the processing time and make predictions for future design and scale-up. The effect of acid and electrochemically mediated reductant concentrations, LIBBM loading, and cathode/reactor designs were explored. As a result, the leaching time was reduced from 7h to under 1h at a pulp density of 73 g/L, without external heating. A novel reactor with parallel baffle electrodes (PBE) was developed, which significantly reduced the leaching time by improving convection in a stirred slurry electrochemical reactor. Dimensionless numbers were deduced from an unsteady state model, which can be used in dimensional analysis for future process design and scale-up.

25 ENERGY STORAGE↗
DOE OSTI2020

Samarium isotope compositions of uranium ore concentrates: A novel nuclear forensic signature

Uranium ore is mined and milled to produce uranium ore concentrate (UOC), a regulated product of the nuclear fuel cycle. Additionally, diversion of UOC from the fuel cycle into possible weapons production is a key concern in global nonproliferation efforts. As such, the ability to trace the origin of seized nuclear materials is imperative to law enforcement efforts. Although isotopic signatures of UOCs have proven fruitful to pinpoint sample provenance, new isotopic signatures are needed because most existing isotopic signatures are not indicative of the original ore body from which the U is derived. In this work, we developed a new method to separate samarium (Sm) from a U-rich sample matrix and report the first Sm isotope compositions of 32 UOCs derived from a variety of worldwide uranium mines. Relative to terrestrial standards, approximately half the UOCs have resolved and anticorrelated 149 Sm- 150 Sm isotope compositions, consistent with the capture of thermal neutrons by 149 Sm in the ore body. The UOCs with anomalous Sm isotope compositions tend to derive from older (~>1.5Ga) and higher-grade ore bodies, although other factors, such as the presence of neutron moderators like water, also play a role. Nonetheless, the Sm isotope compositions of UOCs directly reflects the neutron fluence over the history of the original ore body and can be used to discern different geologic conditions associated with that ore body. Overall, this work demonstrates the potential use of Sm isotopes as a novel nuclear forensics signature for origin assessment of UOCs.

58 GEOSCIENCES↗
DOE OSTI2025

Enhanced pool boiling heat transfer using novel inverted trapezoid microgroove structures

Pool boiling heat transfer improvements with enhanced surfaces have been extensively studied for various hydrofluorocarbon (HFC) refrigerants. However, there is a limited number of studies in the open literature that focus on the pool boiling heat transfer characteristics of hydrofluoroolefin (HFO) refrigerants on enhanced surfaces. This study aims to address this gap by analyzing the pool boiling behavior of HFO refrigerants, specifically R1234yf and R1234ze(E). Experiments were conducted on both plain surfaces and novel inverted trapezoid microgroove structures. Further, the experimental results indicate that the microgroove structures can improve heat transfer coefficients by up to 80% compared to plain surfaces. Additionally, the performance of R1234yf and R1234ze(E) was compared to that of R134. It was observed that R1234yf exhibited comparable performance to R134a, while R1234ze(E) showed slightly lower performance. To assess the influence of saturation temperature on pool boiling heat transfer, tests were conducted at different saturation temperatures of 15℃, 25℃, and 35℃. The findings revealed that the pool boiling heat transfer coefficient increases with rising saturation temperature.

42 ENGINEERING↗
DOE OSTI2022

A novel sub-pilot-scale direct-contact ultrasonic dehydration technology for sustainable production of distillers dried grains (DDG)

DDG is a major source of protein, calcium, phosphorus, and sulfur is arguably the most important byproduct of the bioethanol industry with increasing demand over the past few years. Reducing energy consumption in the DDG production process and energy recovery from DDG is vital for sustainable bioethanol productions. In this paper, a novel direct-contact multi-frequency, multimode, and modulated (MMM) ultrasonic dryer (US) was developed for the first time and has been applied in dehydration of wet distillers' grain (WDG). Ultrasonic drying (US) was combined with a convective airflow (HA) at different temperatures of 25 (room temperature), 50 and 70 °C to evaluate the impact of US, HA, and US + HA on drying kinetics, activation energy, chemical compositions, microstructure, and color of DDG. Semi-empirical kinetic models were developed and evaluating drying performances showed that the application of ultrasound significantly enhanced the drying rate and decreased the drying time (by 46%), especially at low drying temperatures. The activation energy for moisture removal in the presence of ultrasound was about 50% of that without ultrasound. The final dried distillers' grains product processed by ultrasonic drying had a brighter color, a higher available protein, a higher digestible protein (the lowest acid detergent insoluble crude protein), and a better surface profile with no compromise on minerals and fiber contents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗