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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Carbonate-Catalyzed CO 2 Insertion into Hydrocarbon C-H Bonds (Final Technical Report)

The development of methods to utilize CO 2 as a feedstock for chemical and fuel synthesis is critical for creating renewable alternatives to fossil fuel-based products. This project investigated a class of catalyst materials known as "dispersed carbonates", which are composed of alkali carbonate salts (e.g. potassium carbonate) dispersed in porous support materials. These catalysts react with CO 2 and organic molecules to form chemicals known as carboxylates that have wide applications in the chemical industry. The project used a combination of spectroscopic and reactivity studies to provide fundamental insight into the structure and mechanism of dispersed carbonates in these reactions, leading to variants with greater reactivity. In addition, dispersed carbonates were investigated for CO 2 hydrogenation catalysis, which is critical for processes under development for making sustainable fuels. The dispersed carbonates proved to be highly active and selective catalysts for the reverse water gas shift reaction in which CO 2 is hydrogenated to CO. The dispersed carbonates provide a compelling alternative to conventional metal-based catalysts for reverse water gas shift that could enable new process designs with higher efficiency and lower complexity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2007

Mars-Approach Navigation Using In Situ Orbiters

A document discusses the continuing development of a navigation system that would enable a spacecraft to approach Mars on a trajectory precise enough to enable the spacecraft to land within 1 km of a specified location on the Martian surface. This degree of accuracy would represent an order-of-magnitude improvement over that now obtained in radiometric tracking by use of the Deep Space Network. The navigation system would be implemented largely in software running in digital processors in the Electra transceiver, the Mars Network s standard radio transceiver, that would be in both the approaching spacecraft and Mars Network orbiter. The Mars Network is an ad hoc constellation of existing and future Mars science orbiters and dedicated telecommunication orbiters that has been established as a communication and navigation infrastructure to support the exploration of Mars. The software would exploit the sensory and data-processing capabilities of the Electra transceivers to gather Doppler-shift and other radiometric tracking data and process those data into trajectories data that would be accurate to within 0.3 km at the point of entry into the Martian atmosphere (as needed to land within 1 km of a target surface location).

Duncan, Courtney↗
DOE OSTI2023

Shifts in bacterial traits under chronic nitrogen deposition align with soil processes in arbuscular, but not ectomycorrhizal-associated trees

Nitrogen (N) deposition increases soil carbon (C) storage by reducing microbial activity. These effects vary in soil beneath trees that associate with arbuscular (AM) and ectomycorrhizal (ECM) fungi. Variation in carbon C and N uptake traits among microbes may explain differences in soil nutrient cycling between mycorrhizal associations in response to high N loads, a mechanism not previously examined due to methodological limitations. Here, we used quantitative Stable Isotope Probing (qSIP) to measure bacterial C and N assimilation rates from an added organic compound, which we conceptualize as functional traits. As such, we applied a trait-based approach to explore whether variation in assimilation rates of bacterial taxa can inform shifts in soil function under chronic N deposition. We show taxon-specific and community-wide declines of bacterial C and N uptake under chronic N deposition in both AM and ECM soils. N deposition-induced reductions in microbial activity were mirrored by declines in soil organic matter mineralization rates in AM but not ECM soils. Our findings suggest C and N uptake traits of bacterial communities can predict C cycling feedbacks to N deposition in AM soils, but additional data, for instance on the traits of fungi, may be needed to connect microbial traits with soil C and N cycling in ECM systems. In conclusion, our study also highlights the potential of employing qSIP in conjunction with trait-based analytical approaches to inform how ecological processes of microbial communities influence soil functioning.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Microbiome dynamics in the congregate environment of U.S. Army Infantry training

Within military training and operational environments, individuals from diverse backgrounds share common spaces, follow structured routines and diets, and engage in physically demanding tasks. While there has been interest in leveraging microbiome features to predict and improve military health and performance, the longitudinal convergence of microbiomes in such constrained environments has not been established. To assess the degree of microbiome convergence, we performed shotgun metagenomic sequencing on swab samples from a military trainee cohort. Samples were taken across four different body sites, three timepoints, and two spatially distinct platoons. We observed evidence of convergence in one platoon, whereby similarity in microbiome composition increased over time, with numerous differentially abundant species. We found no indication of strain transfer between individuals, suggesting that convergence was influenced by external environmental factors, diet, and lifestyle. Microbial shifts observed in the convergence process included a decrease in fungal species, such as Malassezia restricta in nasal cavities, and a decrease in Prevotella species at inguinal regions across time. Shifts in multiple Corynebacterium species were also observed with varying magnitudes depending on the body site. Overall, we provide preliminary evidence of convergence of host microbial communities in military-associated environments that were distinguishable using shotgun metagenomic sequencing approaches. The data presented here on microbiome convergence, dynamics, and stability may inform risk-based mitigation in congregate military settings facilitating development of targeted microbial, dietary, or other interventions to optimize health and performance of military populations.

Biological and medical sciences↗
DOE OSTI2020

An Adaptive Reference Scheme to Extend the Functional Range of Optical Backscatter Reflectometry in Extreme Environments

Optical frequency domain reflectometry (OFDR) measurements are performed by recording the interference pattern of light backscattered by density fluctuations or Bragg gratings along the length of an optical fiber. Changes in local temperature or strain in the fiber cause shifts in the backscattered light spectrum, which can be calibrated to the applied temperature or strain. Comparing the backscattered optical spectra from each reflection site with a reference (unstrained) spectrum allows for quantification of local spectral shifts. While mature OFDR-based technologies can provide high-precision spatially distributed measurements over kilometer lengths, the post-processing approaches used to recover spectral shifts from raw optical intensity data can limit the use of OFDR in harsh environments. This paper presents a novel approach to post-processing OFDR data which extends the usability of optical fibers exposed to harsh environments. This approach is the first to use the spectral shift quality, calculated for two OFDR measurements, to identify an appropriate reference scan from which the spectral shift can be determined. Here, three experimental data sets are used to test the algorithm: (1) an optical fiber heated to >950°C, (2) an aluminum-embedded optical fiber under strain from differential thermal expansion, and (3) an optical fiber exposed to a total neutron flux of 2×10 13 n/cm 2 /s over 40 hours in a nuclear test reactor. Results show that using a metric of quality to select an appropriate reference measurement extends the functional range of OFDR strain and temperature sensors. Furthermore, this algorithm can be applied to existing OFDR data.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Impact of magnetic and electric fields on the free energy to form a calcium carbonate ion-pair

Electromagnetic fields are used in water treatment and desalination to regulate scale formation and extend the lifetime of membranes. External electric and magnetic fields can promote or suppress mineral nucleation and growth. However, the molecular-scale mechanisms of such processes remain unknown. Computing the free energies needed to form ion pairs under external fields provides important insights into understanding the elemental steps during the initial formation of mineral scales. In this paper, we used molecular dynamics combined with metadynamics simulations to investigate the free energies of forming the [Ca–CO 3 ] 0 ion pair, a fundamental building block of carbonate scales, under a range of magnetic (up to 10 T) and electric (up to 10 V m −1 ) fields in water. The presence of constant magnetic or electric fields favored the ion pairing reaction and lowered the free energies by up to 3% to 6%. The internal energy and entropic components of the free energy showed significant changes and exhibited non-linear behavior with increasing field strength. The [Ca–CO 3 ] 0 ion pairing is an entropy-driven process in the absence of an external field, but the mechanism shifts to an internal energy-driven process under selected external fields, suggesting possible changes in the nucleation pathways.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

A minimal model of fire-vegetation feedbacks and disturbance stochasticity generates alternative stable states in grassland–shrubland–woodland systems

Altered disturbance regimes in the context of global change are likely to have profound consequences for ecosystems. Interactions between fire and vegetation are of particular interest, as fire is a major driver of vegetation change, and vegetation properties (e.g., amount, flammability) alter fire regimes. Mediterranean-type ecosystems (MTEs) constitute a paradigmatic example of temperate fire-prone vegetation. Although these ecosystems may be heavily impacted by global change, disturbance regime shifts and the implications of fire-vegetation feedbacks in the dynamics of such biomes are still poorly characterized. We developed a minimal modeling framework incorporating key aspects of fire ecology and successional processes to evaluate the relative influence of extrinsic and intrinsic factors on disturbance and vegetation dynamics in systems composed of grassland, shrubland, and woodland mosaics, which characterize many MTEs. In this theoretical investigation, we performed extensive simulations representing different background rates of vegetation succession and disturbance regime (fire frequency and severity) processes that reflect a broad range of MTE environmental conditions. Varying fire-vegetation feedbacks can lead to different critical points in underlying processes of disturbance and sudden shifts in the vegetation state of grassland-shrubland-woodland systems, despite gradual changes in ecosystem drivers as defined by the environment. Vegetation flammability and disturbance stochasticity effectively modify system behavior, determining its heterogeneity and the existence of alternative stable states in MTEs. Small variations in system flammability and fire recurrence induced by climate or vegetation changes may trigger sudden shifts in the state of such ecosystems. The existence of threshold dynamics, alternative stable states, and contrasting system responses to environmental change has broad implications for MTE management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Self-assembly and photoluminescence evolution of hydrophilic and hydrophobic quantum dots in sol–gel processes

Graphical abstract: Highly luminescent quantum dots (QDs) with tunable photoluminescence (PL) wavelength were assembled into various morphologies including chain, hollow spheres, fibers, and ring structures through sol–gel processes. The PL properties during assembly as investigated. - Highlights: • Highly luminescent quantum dots (QDs) were synthesized from several ligands. • The evolution of PL in self-assembly via sol–gel processes was investigated. • CdTe QDs were assembled into a chain by controlling hydrolysis and condensation reactions. • Hollow spheres, fibers, and ring structures were created via CdSe/ZnS QDs in sol–gel processes. - Abstract: Highly luminescent quantum dots (QDs) with tunable photoluminescence (PL) wavelength were synthesized from several ligands to investigate the PL evolution in QD self-assembly via sol–gel processes. After ligand exchange, CdTe QDs were assembled into a chain by controlling the hydrolysis and condensation reaction of 3-mercaptopropyl-trimethoxysilane. The chain was then coated with a SiO{sub 2} shell from tetraethyl orthosilicate (TEOS). Hollow spheres, fibers, and ring structures were created from CdSe/ZnS QDs via various sol–gel processes. CdTe QDs revealed red-shifted and narrowed PL spectrum after assembly compared with their initial one. In contrast, the red-shift of PL spectra of CdSe/ZnS QDs is small. By optimizing experimental conditions, SiO{sub 2} spheres with multiple CdSe/ZnS QDs were fabricated using TEOS and MPS. The QDs in these SiO{sub 2} spheres retained their initial PL properties. This result is useful for application because of their high stability and high PL efficiency of 33%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ultrafast dynamics of a near-solid-density layer in an intense femtosecond laser-excited plasma

We report on the picosecond dynamics of a near-solid-density plasma generated by an intense, infrared (λ = 800 nm) femtosecond laser using time-resolved pump-probe Doppler spectrometry. An initial red-shift is observed in the reflected third harmonic (λ = 266 nm) probe pulse, which gets blue-shifted at longer probe-delays. A combination of particle-in-cell and radiation-hydrodynamics modelling is performed to model the pump laser interaction with the solid target. The results are post-processed to predict the Doppler shift. An excellent agreement is found between the results of such modelling and the experiment. The modelling suggests that the initial inward motion of the critical surface observed in the experiment is due to the passage of a shock-wave-like disturbance, launched by the pump interaction, propagating into the target. Furthermore, in order to achieve the best possible fit to the experimental data, it was necessary to incorporate the effects of bulk ion-acceleration resulting from the electrostatic field set up by the expulsion of electrons from the laser envelope. We also present results of time-resolved pump-probe reflectometry, which are corroborated with the spectrometry results using a 1-D reflectivity model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Waste Heat Recovery and Recycling in Thermal Separation Processes: Distillation, Multi-Effect Evaporation (MEE) and Crystallization Processes

Evaporation and crystallization are key thermal separation processes for concentrating and purifying inorganic and organic products with energy consumption over 1,000 trillion Btu/yr. This project focused on a challenging task of recovering low-temperature latent heat that can have a paradigm shift in the way thermal process units will be designed and operated to achieve high-energy efficiency and significantly reduce the carbon footprint as well as water footprint. Moreover, this project has evaluated the technical merits of waste-heat powered thermal heat pumps for recovery of latent heat from distillation, multi-effect evaporation (MEE), and crystallization processes and recycling into the process.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1993

Filtering Interpolators for Image Comparison Algorithms

Comparing two or more images, either by differencing or ratioing, is important to many remote sensing problems. Because the pixel sample points for the images are (almost) always separated by some nonzero shift, a resampling, or interpolation, process must be performed if one image is to be accurately compared to another. Considered in Fourier space, an interpolator acts as a filter that attenuates some frequencies (usually high) of the image. Thus, when the shifted and unshifted images are compared, the former has been filtered, while the latter has not; the effect of this difference is called interpolation error. The key idea of this paper is to apply a filter to the unshifted image that matches the filtering effect of applying the interpolator to the shifted image, thereby drastically reducing interpolation error. The resulting interpolators, called filtering interpolators, are derived and discussed in detail elsewhere. Basic results will be given in this presentation.

Lucke, R. L.↗
DOE OSTI2019

Spectral dynamics of shift current in ferroelectric semiconductor SbSI

Photoexcitation in solids brings about transitions of electrons/holes between different electronic bands. If the solid lacks an inversion symmetry, these electronic transitions support spontaneous photocurrent due to the geometric phase of the constituting electronic bands: the Berry connection. This photocurrent, termed shift current, is expected to emerge on the timescale of primary photoexcitation process. We observe ultrafast evolution of the shift current in a prototypical ferroelectric semiconductor antimony sulfur iodide (SbSI) by detecting emitted terahertz electromagnetic waves. By sweeping the excitation photon energy across the bandgap, ultrafast electron dynamics as a source of terahertz emission abruptly changes its nature, reflecting a contribution of Berry connection on interband optical transition. The shift excitation carries a net charge flow and is followed by a swing over of the electron cloud on a subpicosecond timescale. Understanding these substantive characters of the shift current with the help of first-principles calculation will pave the way for its application to ultrafast sensors and solar cells.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Stream Temperature Prediction in a Shifting Environment: Explaining the Influence of Deep Learning Architecture

Stream temperature is a fundamental control on ecosystem health. Recent efforts incorporating process guidance into deep learning models for predicting stream temperature have been shown to outperform existing statistical and physical models. This performance is in part because deep learning architectures can actively learn spatiotemporal relationships that govern how water and energy propagate through a river network. However, exploration of how spatiotemporal awareness and process guidance influence a model's generalizability under shifting environmental conditions such as climate change is limited. Here, we use Explainable Artificial Intelligence (XAI) to interrogate how differing deep learning architectures affect a model's learned spatial and temporal dependencies, and how those learned dependencies affect a model's ability to maintain high accuracy when applied to unseen environmental conditions. Using the Delaware River Basin in the northeastern United States as a test case, we compare two spatiotemporally aware process–guided deep learning models for predicting stream temperature (a recurrent graph convolution network—RGCN, and a temporal convolution graph model—Graph WaveNet). Both models achieve equally high predictive performance when testing data are well represented in the training data (test root mean squared errors of 1.64°C and 1.65°C); however, Graph WaveNet significantly outperforms RGCN in 4 out of 5 experiments where test partitions represent different types of unseen environmental conditions. XAI results show that the architecture of Graph WaveNet leads to learned spatial relationships with greater fidelity to physical processes, and that this fidelity improves the generalizability of the model when applied to shifting and/or unseen environmental conditions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2012

Preliminary engineering design of sodium-cooled CANDLE core

The CANDLE burning process is characterized by the autonomous shifting of burning region with constant reactivity and constant spacial power distribution. Evaluations of such critical burning process by using widely used neutron diffusion and burning codes under some realistic engineering constraints are valuable to confirm the technical feasibility of the CANDLE concept and to put the idea into concrete core design. In the first part of this paper, it is discussed that whether the sustainable and stable CANDLE burning process can be reproduced even by using conventional core analysis tools such as SLAROM and CITATION-FBR. As a result, it is certainly possible to demonstrate it if the proper core configuration and initial fuel composition required as CANDLE core are applied to the analysis. In the latter part, an example of a concrete image of sodium cooled, metal fuel, 2000MWt rating CANDLE core has been presented by assuming an emerging inevitable technology of recladding. The core satisfies engineering design criteria including cladding temperature, pressure drop, linear heat rate, and cumulative damage fraction (CDF) of cladding, fast neutron fluence and sodium void reactivity which are defined in the Japanese FBR design project. It can be concluded that it is feasible to design CANDLE core by using conventional codes while satisfying some realistic engineering design constraints assuming that recladding at certain time interval is technically feasible.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

A PL and PLE Study of High Cu Content Cu{sub 2}ZnSnSe{sub 4} Films on Mo/Glass and Solar Cells

Cu{sub 2}ZnSnSe{sub 4} (CZTSe) is amongst leading candidates for the absorber layer in sustainable solar cells. We examine CZTSe thin films with [Cu]/[Zn + Sn] of 0.99 and [Zn]/[Sn] of 1.07, deposited on Mo/glass substrates, and solar cells fabricated from these films. The bandgap (E{sub g}) of the as deposited films and solar cells was examined by photoluminescence excitation (PLE) whereas the temperature and excitation intensity dependence of photoluminescence (PL) spectra was used to examine the nature of radiative recombination. The 6 K PL spectra of CZTSe/Mo exhibit an intense broad and asymmetrical band P1 at 0.822 eV and a lower intensity band P2 at 0.93 eV. The shape of this band, high rates of blue shift with excitation intensity rise ( j-shift) j(P1) = 14 meV and j(P2) = 8 meV per decade, and red shifts of both bands with increasing temperature suggest that both bands are associated with valence band tails due to potential fluctuations caused by high populations of charged defects. The mean depth of such fluctuation γ of 24 meV was estimated from the low energy side of P1. Device processing increased E{sub g}, blue shifted P1, decreased its width, j-shift and the mean depth of potential fluctuations. These can be due to the annealing and/or can partly be related to KCN etching and the chemical effect of Cd, from CdS replacing copper at the CdS–CZTSe interface layer. Processing induced a new broad band P3 at 1.3 eV (quenching with E{sub a} = 200 meV). We attributed P3 to defects in the CdS layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1972

Measurement of operator workload in an information processing task

This was an experimental study to develop an improved methodology for measuring workload in an information processing task and to assess the effects of shift length and communication density (rate of information flow) on the ability to process and classify verbal messages. Each of twelve subjects was exposed to combinations of three shift lengths and two communication densities in a counterbalanced, repeated measurements experimental design. Results indicated no systematic variation in task performance measures or in other dependent measures as a function of shift length or communication density. This is attributed to the absence of a secondary loading task, an insufficiently taxing work schedule, and the lack of psychological stress. Subjective magnitude estimates of workload showed fatigue (and to a lesser degree, tension) to be a power function of shift length. Estimates of task difficulty and fatigue were initially lower but increased more sharply over time under low density than under high density conditions. An interpretation of findings and recommedations for furture research are included. This research has major implications to human workload problems in information processing of air traffic control verbal data.

Jenney, L. L.↗
DOE OSTI2024

Soil microbiome feedbacks during disturbance-driven forest ecosystem conversion

Abstract Disturbances cause rapid changes to forests, with different disturbance types and severities creating unique ecosystem trajectories that can impact the underlying soil microbiome. Pile burning—the combustion of logging residue on the forest floor—is a common fuel reduction practice that can have impacts on forest soils analogous to those following high-severity wildfire. Further, pile burning following clear-cut harvesting can create persistent openings dominated by nonwoody plants surrounded by dense regenerating conifer forest. A paired 60-year chronosequence of burn scar openings and surrounding regenerating forest after clear-cut harvesting provides a unique opportunity to assess whether belowground microbial processes mirror aboveground vegetation during disturbance-induced ecosystem shifts. Soil ectomycorrhizal fungal diversity was reduced the first decade after pile burning, which could explain poor tree seedling establishment and subsequent persistence of herbaceous species within the openings. Fine-scale changes in the soil microbiome mirrored aboveground shifts in vegetation, with short-term changes to microbial carbon cycling functions resembling a postfire microbiome (e.g. enrichment of aromatic degradation genes) and respiration in burn scars decoupled from substrate quantity and quality. Broadly, however, soil microbiome composition and function within burn scar soils converged with that of the surrounding regenerating forest six decades after the disturbances, indicating potential microbial resilience that was disconnected from aboveground vegetation shifts. This work begins to unravel the belowground microbial processes that underlie disturbance-induced ecosystem changes, which are increasing in frequency tied to climate change.

Nelson, Amelia R.↗