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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Cloning, Purification, and Characterization of Recombinant Thermostable β-Xylanase Tnap-0700 from Thermotoga naphthophila

The gene of a β-xylanase (Tnap-0700) was cloned from a hyperthermophilic Thermotoga naphthophila strain ATCC BAA-489 and expressed in Escherichia coli BL21 (DE3) via pET-21a (+) as an expression vector. The growth steps were upgraded for highest β-xylanase expression via several factors, for example, IPTG concentration, time of induction, pH, and temperature. The pH and temperature optima for the extreme expression of β-xylanase were 7.0 pH and 37 °C, correspondingly. Recombinant enzyme purified by heat treatment process, then later by immobilized metal ion affinity chromatography. Molecular mass of the purified β-xylanase was 38 kDa observed by sodium dodecyl sulfate polyacrylamide gel electrophoresis (SDS-PAGE). The enzyme was stable at room temperature for 30 days. It exhibited high stability over wide series of temperature 50–90 °C and pH 4.0–9.0 upon the addition of 1 mM Ca{sup +2} and reduced in the existence of Cu{sup +2} and EDTA. The addition of about 10–30% different organic solvents have no considerable effect on enzyme. However, SDSF and urea acting as an inhibitor leads to decrease in the enzyme activity. The β-xylanase enzyme was active to hydrolyze xylan from beechwood forming xylose. Thermostable β-xylanase causes the breakdown of complex carbohydrates into monosaccharide components. This thermostable β-xylanase revealed remarkable properties, which make it an encouraging candidate for various industrial applications especially in the alteration of renewable biomaterials into ethanol production, and biofuels from lignocellulosics has acknowledged much devotion subsequently in the last decade.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Long-term effects of thinning and woody control on longleaf pine plantation development, understory abundance, and tree damage from an ice storm

Longleaf pine (Pinus palustris) plantations have been established across the southeastern United States as the first step in restoring the declining savanna ecosystem, yet their long-term stability and development to open canopied woodlands may depend on early density and vegetation management treatments. Commercial thinning (CT) was applied in 2012 (year 18) to a long-term study of longleaf pine community restoration at the Savannah River Site near Aiken, SC to increase abundance of herb species. Although precommercial thinning (PCT) and woody vegetation control increased herb species cover during the first five years of the study, measurements from years 17 to 22 indicated a continuing decline in their cover since year 9 despite application of CT in year 18. Herb species richness, however, increased from 21 to 43 species per 100 m2 area during the last six years of the study, likely a result of disturbances associated with CT and an ice storm in year 20. Application of PCT in 1994, when the plantations were 8–11 years old, reduced their susceptibility to stem bending and breakage from the ice storm, which occurred 20 years later in 2014. Measured 5 months before the storm, pine height: dbh ratio (HD) averaged 78 and 90 for trees growing with and without PCT, respectively, and stem breakage (% of trees) from the ice storm increased linearly (r2 = 0.53) with HD. Pine mortality from the combined effects of glaze ice and wind differed with (28%) versus without (45%) PCT, indicating that long-term stability of longleaf pine plantations depends on early density management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Insights into the Cathode–Electrolyte Interphases of High-Energy-Density Cathodes in Lithium-Ion Batteries

Here we present a comprehensive study of cycled high-Ni (LiNi 1–x M x O 2 , M = metals), Li-rich (Li 1+x Mn y M 1–x–y O 2 ), and high-voltage spinel (LiMn 1.5 Ni 0.5 O 4 ) electrodes with time-of-flight secondary ion mass spectrometry (TOF-SIMS) and X-ray photoelectron spectroscopy in conjunction with electrochemical techniques to better understand their evolving cathode–electrolyte interphase structure during cycling. TOF-SIMS provides fragment-specific information regarding the surface film content for each of the electrodes. High-Ni cathodes show thick surface films initially containing Li 2 CO 3 , later developing oxidized organic carbonates throughout cycling. Li-rich electrode surface films develop strong characteristics during their first activation cycles, where released O 2 oxidizes organic carbonates to form polymeric carbons and decomposes LiPF 6 . High-voltage spinel electrodes operate outside the standard electrolyte stability window, generating reactive oxidized electrolyte species that further decompose LiPF 6 . The distribution and concentration of these different chemical fragments measured by TOF-SIMS are finally summarized by color-coded high-resolution images of cycled high-Ni, Li-rich, and high-voltage spinel electrodes.

25 ENERGY STORAGE↗
DOE OSTI2021

Evolution of the structure and chemical composition of the interface between multi-component silicate glasses and yttria-stabilized zirconia after 40,000 h exposure in air at 800 °C

The chemical and structural stability of two commercial multicomponent silicate glasses (SCN and G6) in contact with yttria-stabilized zirconia (YSZ) was investigated after exposure times of up to 40,000 h in air at 800 °C. With exposure time, interfacial layers develop at the SCN-YSZ and G6-YSZ interfaces, which were characterized in detail using both quantitative chemical analysis and atomic-resolution imaging. At the SCN-YSZ interface, a Ca-Ba-Si-O reaction phase was found to grow by diffusion control. In G6-YSZ, Raman spectroscopy and electron microscopy revealed a disorganized interfacial reaction later between G6 and YSZ, and the occurrence of cubic to tetragonal to monoclinic phase transformations in YSZ. Finally, this microstructural evolution is discussed in terms of devitrification resistance of glass and diffusion processes at interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

VENTSAR V3.0: A Python GUI for Estimating Contaminant Concentrations on or Near Buildings Due to Building Effects and Plume Rise and For Calculating Inhalation and Plume Shine Doses

VENTSAR: Originated as VENTAX (Smith and Weber 1983) on the IBM Mainframe at the Savannah River Site (SRS) as a Fortran program. Updated to VENTSAR XL V1.0 (Simpkins 1997) as a spreadsheet version using macros created in Microsoft Excel. Later updated to VENTSAR XL V2.0 (Dixon 2018) as a spreadsheet executing a modified version of the original VENTAX Fortran code. Estimates contaminant concentrations on or near a building from a release at a nearby location. Calculates concentrations for a given meteorological exceedance probability or for a given stability and wind speed combination. Can model a single building with or without a penthouse on top or a ground location from either a stack or ground release. Plume rise can be considered. Contaminant releases can be chemical or radioactive with downwind concentrations determined at user-specified distances. Wind passing over and around buildings creates a complicated dispersion pattern. Air-intake vents may be located on building roofs or near the ground downwind of a release source. An estimation of pollutant concentrations on or near a structure is important in determining expected pollutant levels. Meteorological data are selected based on a specific area of the site. Fortran-based VENTAX able to make fast, complex mathematical calculations. Not user-friendly VENTSAR XL V1.0 no longer supported due to obsolete Excel macros. VENTSAR XL V2.0 an interim solution using an Excel spreadsheet to interface with the modified VENTAX Fortran code. Requires user to have Microsoft Excel. Not an intuitive interface for someone unfamiliar with VENTSAR. Does not perform dose calculations. VENTSAR V3.0 goal to combine the strengths of previous versions of VENTSAR into a single, powerful yet user-friendly program with a Graphical User Interface (GUI). Not dependent upon a specific program or plug-ins. Self-contained package to be used on any computer running Microsoft Windows. User-friendly, intuitive GUI created in Python for parameter input. Executes same modified VENTAX Fortran code as VENTSAR XL V2.0. Outputs formatted text file of completed calculations for easy review and dissemination. Performs inhalation and plume shine dose calculations for up to 11 user-selected nuclides from a nuclide dose factor library of almost 500 nuclides. 12 test cases were created for verification of V1.0 and V2.0. Same test cases run in V3.0 to verify correct performance. V3.0 produced similar results to V1.0. Confirmed GUI did not alter calculations in any way. Comparisons of the test case results confirm the V3.0 GUI does not influence the VENTSAR calculations. Simply passes same input parameters to VENTAX Fortran code for execution. Provides end user an easy-to-use, intuitive tool to quickly make building effect and plume rise calculations, as well as, inhalation and plume shine dose calculations. No experience with or working knowledge of Fortran, Excel, command line, or macros required. Self-contained package allows VENTSAR be deployed to any Windows computer without the need for specific programs or plug-ins.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

A Tutorial on the Control of Floating Offshore Wind Turbines: Stability Challenges and Opportunities for Power Capture

Climate change is a serious threat facing humanity. The United States (U.S.) and many other countries are increasing the amount of electrical power generated from renewable energy sources in an effort to combat climate change and ensure energy independence. The U.S. has set goals to achieve a 100% decarbonized electric grid by 2035 and a net-zero emissions economy by no later than 2050. Renewable energy currently accounts for about 20% of the U.S. power grid. According to the U.S. Department of Energy and the National Renewable Energy Laboratory (NREL), in the U.S. in 2021, wind and solar photovoltaic generation supplied 9.1% and 4% of total electricity generation, respectively, and the latest publicly available data show that hydropower represented 6.6% of all electricity generated in the U.S. in 2019. As wind farms have been built in many of the best wind resource areas on land, the U.S. and many other countries are turning to offshore wind for further growth of wind power capacity. Further, the U.S. has committed to deploy 30 GW of offshore wind by 2030, a significant increase from the 0.04 GW of installed offshore wind in the country as of the end of 2023. Many other countries have also established ambitious goals or plans to increase the amount of installed offshore wind power.

17 WIND ENERGY↗
DOE OSTI2023

A Comparison of Adverse Meteorology Inputs for Emergency Management and Safety Basis Dispersion Modeling Applications at SRS

The MELCOR Accident Consequence Calculation System (MACCS), used for safety basis accident analyses at SRS, implements adjustment factors to consider the increased vertical turbulence associated with local surface roughness and the increased lateral turbulence associated with time-based plume meander. The two models used for SRS emergency planning radiological consequence assessment, i.e., Hotspot and Puff/Plume, currently do not have an option to input or apply diffusion adjustments for meander or surface roughness. Adverse meteorology conditions at SRS have been determined as E stability class and 1.3 meters per second wind speed for ground level releases. This is the input used for emergency planning models. Contrastingly safety basis analyses use a different input, representing adverse meteorology values as F stability class and wind speeds of 1.3 meters per second (for a ground level release). This results in an apparent discrepancy between the two approaches. In this report we document the differing modeling assumptions, discuss the logic behind each modeling approach used to represent local roughness and plume meander conditions, and numerically compare dispersion coefficients and concentration estimates obtained from each set of model inputs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Using FLAC{sup R} Modeling Software to Analyze the Stability of a LLRW Disposal Facility - 20031

Waste Control Specialists (WCS) wished to amend its existing LLRW disposal license such that it might use gravel aggregate instead of concrete as backfill around large component (LC) parts from decommissioned nuclear reactors. A classical mechanics evaluation of the strength of the LCs was presented to the Texas Commission on Environmental Quality (TCEQ), demonstrating that the LCs had adequate capacity to withstand the loads within the facilities, and that concrete was unnecessary for structural support. TCEQ requested that additional analyses of the LCs within the facilities be performed using FLAC{sup R} finite difference modeling software. Because FLAC{sup R} has the capability of modeling the support provided by the lateral earth pressures, the factors of safety against failure for the LCs increased. TCEQ found the FLAC{sup R} analyses presented in this report to be satisfactory, and granted WCS' license amendment request. This work demonstrates that FLAC{sup R} may be used advantageously to more accurately represent the complexities of the physical situation being modeled. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

t 1 -noise elimination by continuous chemical shift anisotropy refocusing

We report that due to their high gyromagnetic ratio, there is considerable interest in measuring distances and correlations involving protons, but such measurements are compounded by the simultaneous recoupling of chemical shift anisotropy (CSA). This secondary recoupling adds additional modulations to the signal intensities that ultimately lead to t 1 -noise and signal decay. Recently, Venkatesh et al. demonstrated that the addition of CSA refocusing periods during 1 H-X dipolar recoupling led to sequences with far higher stability and performance. Herein, we describe a related effort and develop a symmetry-based recoupling sequence that continually refocuses the 1 H CSA. This sequence shows superior performance to the regular and t1-noise eliminated D-HMQC sequences in the case of spin-1/2 nuclei and comparable performance to the later for half-integer quadrupoles.

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

Integration of layered group IV selenides: From SnSe–SnSe 2-x S x core-shell crystals to complex (SnSe–SnSe 2-x S x )-GeSe van der waals heterostructures

The layered semiconductor tin selenide (SnSe) has received extensive interest due to its promising thermoelectric and ferroelectric properties. Integrating SnSe with other layered crystals in heterostructures can enable the modification of charge- and thermal transport, electrical polarization, and other properties such as chemical stability, optoelectronics, and photonics. Here, we demonstrate the vapor transport synthesis of single-crystalline SnSe monochalcogenide flakes that are spontaneously encapsulated in a thin layered SnSe 2-x S x dichalcogenide shell. In a second growth step, such SnSe-SnSe 2-x S x heterostructures are integrated with the monochalcogenide GeSe, which is laterally stitched to the SnSe side facets while preserving the dichalcogenide shell across the basal facets. This architecture is confirmed by optical microscopy, electron microscopy and diffraction, energy dispersive X-ray and Raman spectroscopies, as well as cathodoluminescence spectroscopy. Furthermore, the results extend our capabilities for materials integration by forming complex heterostructures with both vertical van der Waals interfaces and covalent lateral interfaces between layered semiconductors.

2D layered crystals↗
DOE OSTI2020

Direct Observation of Photoinduced Ion Migration in Lead Halide Perovskites

Unique optoelectronic, electronic, and sensing properties of hybrid organic–inorganic perovskites (HOIPs) are underpinned by the complex interactions between electronic and ionic states. In this study, the photoinduced field ion migration in HOIPs is directly observed. Using newly developed local probe time-resolved techniques, more significant CH 3 NH 3 + migration than I – /Br – migration in HOIPs is unveiled. It is found that light illumination only induces CH 3 NH 3 + migration but not I – /Br – migration. By directly observing temporal changes in bias-induced and photoinduced ion migration in device conditions, it is revealed that light illumination suppresses the bias-induced ion redistribution in the lateral device. These findings, being a necessary compensation of previous understandings of ion migration in HOIPs based on simulations and static and/or indirect measurements, offer advanced insights into the distinct light effects on the migration of organic cation and halides in HOIPs, which are expected to be helpful for improving the performance and the long-term stability of HOIPs optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

SPRUCE Climate Warming and Elevated CO2 Rapidly Alter Peatland Soil Carbon Sources and Stability: Supporting Data

This data set reports a suite of complementary biogeochemical analyses of peat samples from the SPRUCE (Spruce and Peatland Responses Under Changing Environments) experiment. Results were collected using quantitative molecular analysis of bulk soil carbon to assess the stability of soil organic carbon following whole-ecosystem warming and exposure to elevated carbon dioxide concentrations (eCO2). Targeted soil organic carbon components include solvent-extractable compounds (alkanoic acids, alkanols, alkanes, steroids, and terpenoids), ester-bound hydrolysable biopolymers (cutin and suberin markers), lignin phenols, and pyrogenic carbon. Bulk peat samples were analysed by Soxhlet extraction and solid phase separation for solvent-extractable compounds, alkaline hydrolysis to extract hydrolysable biopolymers, copper (II) oxide oxidation to extract lignin phenols and benzene polycarboxylic acids (BPCAs) as an approximation of pyrogenic carbon. Samples were analysed by gas chromatography (GC) equipped with a flame ionization detector (GC-FID) and compound identification was performed on GC coupled to mass selective detector (MS) for solvent-extractable compounds, ester-bound hydrolysable biopolymers and lignin phenols, and high-performance liquid chromatograph (HPLC) for pyrogenic carbon. Results are presented in Ofiti et al. (accepted). The experimental work was conducted on samples collected in August 2018 at the SPRUCE climate manipulation experiment in northern Minnesota, 40 km north of Grand Rapids, in the USDA Forest Service Marcell Experimental Forest (MEF). Samples were collected and later analysed in a 10 cm increments over 0 to 50 cm depth and 25 cm intervals from 50 to 75 cm. Samples were analyzed for lignin phenols over 0 to 30 cm depth. This data set contains one file in comma separate (*.csv) format. This dataset contains data used to produce: Ofiti, N.O.E., Schmidt, M.W.I., Abiven, S., Hanson, P.J., Iversen, C.M., Wilson, R.M., Kostka, J.E., Wiesenberg, G.L.B., Malhotra, A. 2023. Climate warming and elevated CO2 rapidly alter peatland soil carbon sources and stability. Nat Commun 14, 7533. https://doi.org/10.1038/s41467-023-43410-z.

SPRUCE experiment, Marcell Experimental Forest, so↗
DOE OSTI2026

Advanced monolithic 2D multilayer Laue lens (MLL) optics for hard x-ray nanofocusing and nanotomography

We report on the development of a new generation of monolithic two-dimensional (2D) multilayer Laue lens (MLL) optics suitable for high-resolution hard x-ray nanoimaging. The 2D optics were assembled on microfabricated silicon templates with high orthogonality and lateral alignment precision, which were characterized using white-light interferometry and confirmed by x-ray measurements. The developed monolithic 2D MLL optics were successfully employed for hard x-ray nanofocusing and nanotomography experiments using the ptychography imaging modality, demonstrating sub-10 nm resolution in 2D and sample-limited ∼30 nm in three-dimensional while exhibiting excellent stability during extended measurements. The new 2D MLL templates with high alignment accuracy represent an important step forward in the development of 2D MLL optics toward direct nanoimaging experiments with sub-10 nm spatial resolution.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Rational optimization of substituted α–MnO 2 cathode for aqueous zinc–ion battery

Density functional theory (DFT) is utilized to explore the effects of increasing concentrations of vanadium (V) and chromium (Cr) substitution on the discharge of α-MnO 2 cathode in hydrated zinc-ion batteries (ZIBs). During H + -intercalation and Zn 2+ -intercalation, Cr-substitution proves to be more effective than V-substitution in promoting discharge behaviors. Transitioning from Mn 0.875 Cr 0.125 O 2 , Mn 0.75 Cr 0.25 O 2 to Mn 0.625 Cr 0.375 O 2 is found to consistently enhance the discharge voltage, along with improved tunnel structure retention and volume expansion suppression. In comparison, the promoting effect of increasing V-substitution is relatively small at initial discharge stages and leads to degradation at later stages, primarily due to an increased concentration of unstable Mn 2+ ion. The superior effect of Cr-substitution is attributed to the unique atomic and electronic structures of substituted Cr 4+ and reduced Cr 3+ ions during discharge. These ions serve as active electron acceptors to limit the formation of Mn 3+ and Mn 2+ ions, and as anchors to stabilize the α-MnO 2 framework and intercalated H + /Zn 2+ ions, respectively. Finally, our study highlights fine-tuning through substitution to enhance the performance of α-MnO 2 -based cathode materials in ZIBs.

25 ENERGY STORAGE↗
DOE OSTI2022

Anion diffusion in two-dimensional halide perovskites

Commercialization of halide perovskites in the semiconductor industry is hindered by their short-term stability. The instability of perovskites is closely interlinked with ionic diffusion. Historically, attempts to study diffusion in 2D perovskites mostly utilized electrical characterizations, but these characterizations pose a challenge in deconvoluting the impact of device architecture, interlayers, and ionic species. In this Perspective, we focus our attention on simple optical characterizations employed in the literature to investigate halide diffusion in 2D perovskites using lateral and vertical heterostructure platforms. We review the various synthesis techniques used for fabrication of halide perovskite heterostructures and discuss the qualitative and quantitative diffusion studies performed using these platforms. We discuss the numerical methods used to validate and supplement the experimental halide diffusion kinetics. Finally, we highlight the need to conduct further research on the impact of device operating conditions, lattice structure, and vacancy concentration on halide diffusion. Through this Perspective, we aim to emphasize the need of developing a comprehensive understanding of halide diffusion in perovskites for their successful deployment in optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Geomechanical in situ testing of fault reactivation in argillite repositories

Abstract. Pressurization of natural faults as a result of repository-induced effects can lead to their reactivation and permeability generation in case such features are present near disposal tunnels. Potential driving forces for such pressurization are the temperature increase caused by heat-producing high-level radioactive waste and the generation of hydrogen and other gases due to corrosion of engineered materials. We are primarily concerned about pressurization and fault activation in host rocks and faults that have very low natural permeability for pore pressure increases to dissipate, such as the argillite rocks currently investigated in Switzerland, France and other countries. This presentation discusses a series of in situ experiments of fault activation by fluid injection conducted in the argillite rock (Opalinus clay) at the Mont Terri underground research laboratory in Switzerland. A multi-model monitoring test bed was installed at Mont Terri that includes distributed fiber optics for strain, temperature, and acoustics; local fault pore pressure and three-dimensional displacement sensors; active seismic imaging; and passive seismic monitoring. The fault experiments (and their subsequent analysis via hydromechanical modeling) provide a new fundamental understanding of the coupling between pore pressure, fault deformation and permeability generation as a function of time and allow exploring how seismic and aseismic events may impact the integrity of faulted argillite host rock. Our experimental observations demonstrate that significant flow (and transport) can occur along the initially impermeable argillite fault when rupture is activated. However, the fault permeability decreases to almost its pre-activation value when fluid injection ceases and fluid pressure drops. Dilatant slip on the fault plane alone does not explain the observed increase in fault permeability; pressure-induced fault opening also plays a role, favored by the softness of the shale along with the fact that the structure of the fault zone prevents fluids from diffusing into the adjacent damage zone. Rupture initiation and permeability generation is initially aseismic, associated only with an increase in noise level and emerging tremors. Micro-earthquakes are initiated later in the experiments and typically occur away from the fluid-pressurized area. Hydromechanical models show that stress transferred from the initial aseismic deformation can build up to stress criticality and later induce seismic rupture. After presenting the experimental results, we will close the presentation with an outlook to future experimental campaigns using the fault test bed at Mont Terri. We are currently planning a controlled thermal stimulation of the fault, where instead of fluid injection as a trigger mechanism we will heat up the nearby rock volume and measure potential effects on fault stability. Lessons learned from our past and future experiments will help inform the safety assessment of geologic disposal in argillite host rock.

Birkholzer, Jens T.↗
DOE OSTI2024

Near Room Temperature Solvothermal Growth of Ferroelectric CsPbBr 3 Nanoplatelets with Ultralow Dark Current

CsPbBr 3 exhibits outstanding optoelectronic properties and thermal stability, making it a coveted material for detectors, light-emitting diodes, and solar cells. Despite observations of ferroelectricity in CsPbBr 3 quantum dots, synthesizing bulk ferroelectric CsPbBr 3 crystals has remained elusive, hindering its potential in next-generation optoelectronic devices like optical switches and ferroelectric photovoltaics. Here, a breakthrough is reported: a novel solvothermal technique enabling the growth of ferroelectric CsPbBr 3 nanoplatelets with lateral dimensions in the tens of micrometers. This represents a significant step toward achieving large-area ferroelectric CsPbBr 3 crystals. Unlike traditional methods, this approach allows for growth and crystallization of CsPbBr 3 in alcohol solutions by enhancing precursor solubility. Further this study confirms the ferroelectric nature of these nanoplatelets using second harmonic generation, electrical characterizations, and piezoresponse force microscopy. This work paves the way for utilizing ferroelectric CsPbBr 3 in novel optoelectronic devices, significantly expanding the potential of this material and opening doors for further exploration in this exciting field.

25 ENERGY STORAGE↗