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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 1,693 records · Page 94
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Low-frequency resonance increase in the resistance of a microcontact between ferromagnetic and nonmagnetic metals

The magnetic dynamics of a mesoscopic three-dimensional magnet has been studied by measuring the resistance of a nanodimensional (point) microcontact between paramagnetic and ferromagnetic metals. The resistance was measured by a modulation technique under conditions where a significant role was played by dipole-dipole interaction, magnetic field, and dissipation. It was found that the resistance of the microcontact exhibits resonance growth at low frequencies ({approx}10{sup 3} s{sup -1}). The properties of resonances are described by a model of microcontact gyromagnetic oscillations (MCGMOs) based on mutual transformation of spin and mechanical angular momentum. Experimental techniques, basic properties, and the MCGMO model are described. The passage of an electric current through the interface between paramagnetic and ferromagnetic metals leads to nonequilibrium magnetization localized at the interface. A high current density in the microcontact determines the strong excitation of magnetization (high density of magnons) at which the interaction between magnons becomes significant. In a uniaxial magnet, the attraction of magnons leads to the formation of a spatially localized configuration of gapless long-wavelength magnons (magnetic soliton). At a given excitation of magnetization, the vector structure of a magnetic soliton possesses a minimum free energy (configuration energy minimum). The configuration energy minimum of a magnetic soliton is responsible for the radical increase in the soliton spin relaxation time, which determines the fundamental possibility of exciting stationary low-frequency MCGMOs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Root exudate composition reflects drought severity gradient in blue grama (Bouteloua gracilis)

Abstract Plant survival during environmental stress greatly affects ecosystem carbon (C) cycling, and plant–microbe interactions are central to plant stress survival. The release of C-rich root exudates is a key mechanism plants use to manage their microbiome, attracting beneficial microbes and/or suppressing harmful microbes to help plants withstand environmental stress. However, a critical knowledge gap is how plants alter root exudate concentration and composition under varying stress levels. In a greenhouse study, we imposed three drought treatments (control, mild, severe) on blue grama ( Bouteloua gracilis Kunth Lag. Ex Griffiths), and measured plant physiology and root exudate concentration and composition using GC–MS, NMR, and FTICR. With increasing drought severity, root exudate total C and organic C increased concurrently with declining predawn leaf water potential and photosynthesis. Root exudate composition mirrored the physiological gradient of drought severity treatments. Specific compounds that are known to alter plant drought responses and the rhizosphere microbiome mirrored the drought severity-induced root exudate compositional gradient. Despite reducing C uptake, these plants actively invested C to root exudates with increasing drought severity. Patterns of plant physiology and root exudate concentration and composition co-varied along a gradient of drought severity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Ab Initio Prediction of Fluorescence Lifetimes Involving Solvent Environments by Means of COSMO and Vibrational Broadening

The fluorescence lifetime is a key property of fluorophores that can be utilized for microenvironment probing, analyte sensing, and multiplexing as well as barcoding applications. For the rational design of lifetime probes and barcodes, theoretical methods have been developed to enable the ab initio prediction of this parameter, which depends strongly on interactions with solvent molecules and other chemical species in the emitters immediate environment. In this work, we investigate how a conductor-like screening model (COSMO) can account for variations in fluorescence lifetimes that are caused by such fluorophore–solvent interactions. Therefore, we calculate vibrationally broadened fluorescence spectra using the nuclear ensemble method to obtain distorted molecular geometries to sample the electronic transitions with time-dependent density functional theory (TDDFT). The influence of the solvent on fluorescence lifetimes is accounted for with COSMO. For example, for 4-hydroxythiazole fluorophore containing different heteroatoms and acidic and basic moieties in aprotic and protic solvents of varying polarity, this approach was compared to experimentally determined lifetimes in the same solvents. Furthermore, our results demonstrate a good correlation between theoretically predicted and experimentally measured fluorescence lifetimes except for the polar solvents ethanol and acetonitrile that can specifically interact with the heteroatoms and the carboxylic acid of the thiazole derivative.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Biochemical and Structural Characterization of Germicidin Synthase: Analysis of a Type III Polyketide Synthase That Employs Acyl-ACP as a Starter Unit Donor

Germicidin synthase (Gcs) from Streptomyces coelicolor is a type III polyketide synthase (PKS) with broad substrate flexibility for acyl groups linked through a thioester bond to either coenzyme A (CoA) or acyl carrier protein (ACP). Germicidin synthesis was reconstituted in vitro by coupling Gcs with fatty acid biosynthesis. Since Gcs has broad substrate flexibility, we directly compared the kinetic properties of Gcs with both acyl-ACP and acyl-CoA. The catalytic efficiency of Gcs for acyl-ACP was 10-fold higher than for acyl-CoA, suggesting a strong preference toward carrier protein starter unit transfer. The 2.9 {angstrom} germicidin synthase crystal structure revealed canonical type III PKS architecture along with an unusual helical bundle of unknown function that appears to extend the dimerization interface. A pair of arginine residues adjacent to the active site affect catalytic activity but not ACP binding. This investigation provides new and surprising information about the interactions between type III PKSs and ACPs that will facilitate the construction of engineered systems for production of novel polyketides.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Cadmium retention and distribution in contaminated soil: effects and interactions of soil properties, contamination level, aging time and in situ immobilization agents

As soil cadmium (Cd) contamination becomes a serious concern and one of the significant environmental pollution issues all over the world, knowledge of the basic chemistry, origin, inputs, sources, quantity, chemical forms, reactions, as well as the fate and transport of Cd in different types of soil is crucial for better understanding Cd bioavailability, health risks and remedial options. This study aimed to increase the current knowledge on the complex interdependence between the factors affecting behavior, transport and fate of Cd in the soil and to test and compare the performance of the stabilization agents in different soil types. Soils demonstrated various sorption affinity and capacity for Cd accumulation, which proved to be positively correlated with soil pH and the cation exchange capacity (CEC). With increasing levels of contamination, sequential extraction analysis showed the highest increase of relative Cd amounts in the exchangeable fraction regardless of the soil properties, suggesting that added Cd is principally associated with the easily accessible and mobile fraction. For different initial Cd concentrations and soil types, Cd sorption reached the quasi-equilibrium within 24 h of contact. Prolonged aging (two months) influenced the natural stabilization of Cd in all types of soil, but only at low contamination level. The application of both, conventional (slaked lime Ca(OH) 2) and alternative phosphate-rich (annealed bovine bones B 400) amendments, resulted in Cd relocation and reduction of exchangeable Cd content. Although the effect was smaller when apatite amendment was utilized, observed re-distribution of Cd to more stable soil fractions is preferable for achieving long-term stabilization. Cd concentrations extracted in exchangeable and acid soluble fractions after the treatments of contaminated soil samples suggest that the practical applicability of in situ immobilization depends on the soil properties and the level of contamination, as well as that effect, should be monitored for the possible re-mobilization of Cd. © 2019 Elsevier Inc.

02 PETROLEUM↗
DOE OSTI2016

WE-D-BRB-00: Basics of Proton Therapy

The goal of this session is to review the physics of proton therapy, treatment planning techniques, and the use of volumetric imaging in proton therapy. The course material covers the physics of proton interaction with matter and physical characteristics of clinical proton beams. It will provide information on proton delivery systems and beam delivery techniques for double scattering (DS), uniform scanning (US), and pencil beam scanning (PBS). The session covers the treatment planning strategies used in DS, US, and PBS for various anatomical sites, methods to address uncertainties in proton therapy and uncertainty mitigation to generate robust treatment plans. It introduces the audience to the current status of image guided proton therapy and clinical applications of CBCT for proton therapy. It outlines the importance of volumetric imaging in proton therapy. Learning Objectives: Gain knowledge in proton therapy physics, and treatment planning for proton therapy including intensity modulated proton therapy. The current state of volumetric image guidance equipment in proton therapy. Clinical applications of CBCT and its advantage over orthogonal imaging for proton therapy. B. Teo, B.K Teo had received travel funds from IBA in 2015.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1985

Nonresonant interaction of heavy ions with electromagnetic ion cyclotron waves

The motion of a heavy ion in the presence of an intense ultralow-frequency electromagnetic wave propagating along the dc magnetic field is analyzed. Starting from the basic equations of motion and from their associated two invariants, the heavy ion velocity-space trajectories are drawn. It is shown that after a certain time, particles whose initial phase angles are randomly distributed tend to bunch together, provided that the wave intensity b-sub-1 is sufficiently large. The importance of these results for the interpretation of the recently observed acceleration of singly charged He ions in conjunction with the occurrence of large-amplitude ion cyclotron waves in the equatorial magnetosphere is discussed.

Berchem, J.↗
NASA NTRS1998

Modeling Climate-Biosphere Interactions in the Boreal Forest

The overall goal of this BOREAS Program was to develop, test, and apply a model of the carbon balance of boreal forest sites with a significant groundcover component (moss or lichen). The basic question addressed with this model was: What is the sensitivity of the boreal forest carbon balance to weather variability? More specifically: What are the differences in the sensitivities of carbon gains (photosynthesis) and carbon losses (respiration) of the various components of the ecosystem? Are there different seasonalities to their sensitivities (e.g., warmer springs will have one effect, warmer summers a different effect)? What are the effects of different patterns of successive weather years (wet/dry, warm/cool)? What, for example, would be the difference in effects of two "warmer than normal" months-one with each day warmer than normal, and the other with three normal weeks and one very hot week? Due to weather variability, how "noisy" will any carbon flux or carbon pool signal be that we might use to try to detect change? The project resulted in the development of a new boreal forest ecosystem model. This model was the first model in the BOREAS project to look closely at the role of mosses in the ecosystem carbon balance, and also was the first model in the BOREAS project to look closely at interannual variability in carbon fluxes. Along with the work of many other groups, TE-19 modeling analysis pointed to the need for a second, longer field season in 1996, with particular focus on the spring and fall transitions and on ground vegetation. BOREAS groups TE-19 (Frolking), TGB-1 (Crill) & TGB-3 (Moore & Roulet) analyzed BOREAS data and other published and unpublished data to develop a relationship between peatland ecosystem productivity and incoming radiation, which is quite distinct from the upland ecosystem relationships observed in other studies.

Frolking, Steve↗
DOE OSTI2021

Community Modeling and Flux Balance Analysis of Synthetic Bacterial Community in MOPS Medium

This narrative was used for the 4-member community modeling using MOPS medium for the bacteria isolated from Populus deltoides (PD). 10 bacterial strains isolated from PD were co-cultured as a synthetic microbial community in MOPS minimal medium. After 15 passages there were 4 members survived in MOPS medium. The genome of each community member was sequenced and uploaded into KBase for genome annotation and metabolic modeling. To simulate the metabolic interactions among the finally surviving community members, the individual metabolic models of each strain were merged into a compartmentalized community model, and then the community model was gapfilled using MOPS medium. The FBA modeling was performed and the metabolites exchange among community members was proposed. The publication by Jia Wang, Dana L. Carper, Leah H. Burdick, Him Shrestha, Manasa Appidi, Paul E. Abraham, Collin M. Timm, Robert L. Hettich, Dale A. Pelletier, Mitchel J. Doktycz can be found here: https://doi.org/10.​1016/​j.​csbj.​2021.​03.​034

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Community Modeling and Flux Balance Analysis of Synthetic Bacterial Community in R2A Medium

This narrative was used for the 3-member community modeling using R2A medium for the bacteria isolated from Populus deltoides (PD). 10 bacteiral strains isolated from PD were co-cultured as a synthetic microbial community in R2A complex medium. After 15 passages, there were 3 members survived in R2A medium. The genome of each community member was sequenced and uploaded into KBase for genome annotation and metabolic modeling. To simulate the metabolic interactions among the finally surviving community members, the individual metabolic models of each strain were merged into a compartmentalized community model, and then the community model was gapfilled using R2A medium. The FBA modeling was performed and the metabolites exchange among community members was proposed. The publication by Jia Wang, Dana L. Carper, Leah H. Burdick, Him Shrestha, Manasa Appidi, Paul E. Abraham, Collin M. Timm, Robert L. Hettich, Dale A. Pelletier, Mitchel J. Doktycz can be found here: https://doi.org/10.​1016/​j.​csbj.​2021.​03.​034

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Inferring plant–plant interactions using remote sensing

Rapid technological advancements and increasing data availability have improved the capacity to monitor and evaluate Earth's ecology via remote sensing. However, remote sensing is notoriously ‘blind’ to fine-scale ecological processes such as interactions among plants, which encompass a central topic in ecology. Here, we discuss how remote sensing technologies can help infer plant–plant interactions and their roles in shaping plant-based systems at individual, community and landscape levels. At each of these levels, we outline the key attributes of ecosystems that emerge as a product of plant–plant interactions and could possibly be detected by remote sensing data. We review the theoretical bases, approaches and prospects of how inference of plant–plant interactions can be assessed remotely. At the individual level, we illustrate how close-range remote sensing tools can help to infer plant–plant interactions, especially in experimental settings. At the community level, we use forests to illustrate how remotely sensed community structure can be used to infer dominant interactions as a fundamental force in shaping plant communities. At the landscape level, we highlight how remotely sensed attributes of vegetation states and spatial vegetation patterns can be used to assess the role of local plant–plant interactions in shaping landscape ecological systems. Synthesis . Remote sensing extends the domain of plant ecology to broader and finer spatial scales, assisting to scale ecological patterns and search for generic rules. Robust remote sensing approaches are likely to extend our understanding of how plant–plant interactions shape ecological processes across scales—from individuals to landscapes. Combining these approaches with theories, models, experiments, data-driven approaches and data analysis algorithms will firmly embed remote sensing techniques into ecological context and open new pathways to better understand biotic interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Structural impact of complete CpG methylation within target DNA on specific complex formation of the inducible transcription factor Egr-1

The inducible transcription factor Egr–1 binds specifically to 9–bp target sequences containing two CpG sites that can potentially be methylated at four cytosine bases. Although it appears that complete CpG methylation would make an unfavorable steric clash in the previous crystal structures of the complexes with unmethylated or partially methylated DNA, our affinity data suggest that DNA recognition by Egr–1 is insensitive to CpG methylation. We have determined, at a 1.4–Å resolution, the crystal structure of the Egr–1 zinc–finger complex with completely methylated target DNA. In conclusion, structural comparison of the three different methylation states reveals why Egr–1 can recognize the target sequences regardless of CpG methylation.

5-methylcytosine↗
DOE OSTI2022

Plant litter traits control microbial decomposition and drive soil carbon stabilization

Efforts to manage soils for carbon (C) sequestration remain limited by our understanding of how differences in plant traits and microbial traits mechanistically drive soil organic C (SOC) storage. Addressing this uncertainty is particularly critical in bioenergy agriculture, due to its potential to enhance soil C and provide a C neutral fuel. As such, we examined differences between two contrasting feedstocks, Zea mays (corn) and Miscanthus x giganteus (miscanthus), in the ability of their litter to form new chemically resistant particulate SOC vs. physically protected mineral associated SOC and used this data to improve the parameterization of a microbial SOC model. We tested a hypothesized conceptual model whereby easy to decompose corn litters drive greater microbial carbon use efficiency (CUE) and the formation of more mineral associated SOC over particulate SOC than more complex miscanthus litters. To do this, we performed a soil microcosm experiment where we added 13 C enriched aboveground and belowground litters to soils and traced the fate of the 13 C into microbial respiration and SOC pools. We found that corn litters promoted higher microbial CUE (0.37) than miscanthus litters (0.24). In turn, corn litter formed approximately 50% more mineral associated SOC than miscanthus litters. Similarly, structurally complex root litters promoted a lower CUE and formed less mineral associated SOC than leaf and shoot litters for both crops. When we used our data to parameterize the SOC model, we found that modelling microbial trait differences uniquely allowed the model to capture the fate of litter C in SOC. Collectively, we found a robust link between litter quality, microbial efficiency, and the formation of SOC. This link bridges the empirical uncertainty in how different crops can form new soil C and provides an empirical basis for modelling SOC transformations.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Porous Semiconducting K–Sn–Mo–S Aerogel: Synthesis, Local Structure, and Ion-Exchange Properties

Chalcogenide-based aerogels are emerging porous semiconducting nanomaterials that appeal to applications in clean energy and the environment. Here, we report a novel gel, potassium–tin–molybdenum–sulfides (KTMS), that integrates the electrostatically bound K + ions in the covalent network of Sn–Mo–S. Its gelation requires a concurrent reduction of Mo 6+ → Mo 4+/5+ and the oxidation of S 2– → Sn – (n ≈ 1) and Sn 2+ → Sn 4+ . KTMS is an amorphous semiconductor showing quantum confinement effects on band gap energies, 2.1 → 1.4 → 0.9 eV for its wet- → aero- → xerogels. Synchrotron X-ray pair distribution function (PDF) and extended X-ray absorption fine structure (EXAFS) revealed a complex local structure of KTMS consisting of molecular Mo 2 (S 2 ) 6 and Mo 3 S(S 2 ) 6 clusters. In addition, the Sn–S coordination is related to crystalline Na4Sn3S8 and SnS2. KTMS also demonstrated the removal of the radionuclides of Cs + , Sr 2+ , and UO 2 2+ from ppm to ppb levels with distribution constants (Kd) up to ≥104 mL/g. Notably, despite the lack of atomic periodicity in the amorphous KTMS, the K+ ion is ion-exchangeable with chemically diverse Sr 2+ , Cs + , and UO 2 2+ in aqueous solutions; especially the ion-exchange properties of Sr 2+ and UO 2 2+ ≡(O=U=O) 2+ is not known to any chalcogels known to date. The sequestration of Cs + and Sr 2+ was achieved by the exchange of K + in the amorphous KTMS, and the removal of [O=U 6+ =O] 2+ synergistically involves surface sorption via -S····U 6+ =O 2 2+ covalent interactions and ion-exchange via the hard–soft Lewis acid–base paradigm. Overall, cooperative roles played by the diverse bonding motifs, surface-exposed Lewis basic frameworks, and polarizability of the (poly)sulfides make it an exceptional adsorbent for chemically diverse radioactive species. This finding will guide the design of superior sorbents for chemically distinct metal ion separation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Mechanistic Role of the Proton–Hydride Pair in Heteroarene Catalytic Hydrogenation

Kinetic and density functional theory studies probe the catalytic involvements of proton–hydride pairs in breaking the strong aromaticity of N-containing heteroarenes (pyridine and pyrrole) on sulfided Ru cluster surfaces. Under the sulfur chemical potentials relevant to hydrodenitrogenation catalysis, Ru clusters remain covered with a layer of sulfur-deficient RuSx on which a variety of reactive hydrogen species, which bind to Ru 4+ , S 2– , or Ru 4+ –S as Ru 4+ –(H δ– ), S 2– –(H δ+ ), and Ru 4+ –(SH 2 ), respectively, coexist. These reactive hydrogen species exhibit either proton or hydride character, depending on the electronegativity of their ligands (ruthenium and sulfur). For this reason, they participate in different hydrogen addition steps during the hydrogenation of heterocyclic-N compounds. Pyridine as the basic and pyrrole as the nonbasic heterocyclic model compounds undergo hydrogenation via distinctly different kinetically relevant steps because of their different proton affinities, which influence their interactions with the various reactive hydrogen species and in turn adsorption configurations. The hydrogenation of pyridine initiates from an initial, quasi-equilibrated proton attack onto the N atom, followed by a second hydridic hydrogen addition as the kinetically relevant step. In the contrasting case of pyrrole, the hydrogenation initiates via a kinetically relevant proton attack to its β-carbon that breaks its aromaticity before a hydride addition onto its α-carbon. Both reactions require a proton attack followed by a hydride attack, but their mechanistic differences lead to contrasting rate dependences with H 2 S pressure because the H 2 S pressure, together with H 2 pressure, gives the H 2 S:H 2 ratio that dictates the sulfur chemical potentials, the relative abundance of S anions and Ru cations coordinating to the hydrogen species, and in turn the surface concentrations of proton and hydride intermediates on Ru cluster surfaces. Finally, the catalytic involvements of proton–hydride pairs described here are general for hydrogenation reactions and, in particular, heteroarene hydrogenation in hydrotreatment processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

{sup 137}Cs sorption into bentonite from Cidadap-Tasikmalaya as buffer material for disposal demonstration plant facility at Serpong

According to co-location principle, near surface disposal type the disposal demonstration plant facility will be build at Serpong nuclear area. The facility also for anticipation of future needs to provide national facility for the servicing of radwaste management of non-nuclear power plant activity in Serpong Nuclear Area. It is needs to study the material of buffer and backfill for the safety of demonstration plant facility. A local bentonite rock from Cidadap-Tasikmalaya was used as the buffer materials. Objective of experiment is to find out the specific data of sorption characteristic of Cidadap bentonite as buffer material in a radwaste disposal system. Experiments were performed in batch method, where bentonite samples were contacted with CsCl solution labeled with Cs-137 in 100 ml/g liquid:solid ratio. Initial Cs concentration was 10{sup −8} M and to study the effects of ionic strength and Cs concentration in solution, 0.1 and 1.0 M NaCl also CsCl concentration ranging 10{sup −8} - 10{sup −4} M were added in solution. As the indicator of Cs saturated in bentonite samples, Kd value was applied. Affected parameters in the experiment were contact time, effects of ionic strength and concentration of CsCl. Results showed that sorption of Cs by bentonite reached constantly after 16 days contacted, and Kd value was 10.600 ml/g. Effect of CsCl concentration on Kd value may decreased in increased in CsCl concentration. Effect of ionic strength increased according to increased in concentration of background and would effect to Kd value due to competition of Na ions and Cs in solution interacts with bentonite. By obtaining the bentonite character data as buffer material, the results could be used as the basis for making of design and the basic of performance assessment the near surface disposal facility in terms of isolation capacity of radwaste later.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

On the role of laser irradiation in the processes of laser desorption/ionisation from silicon surfaces

The role of laser irradiation in the processes of laser desorption/ionisation from silicon surfaces is considered. The basic functions of laser irradiation (chemical activation of the ion emitter surface, laser-induced ionisation of chemical compounds and ion desorption) are established and analysed. (interaction of laser radiation with matter)

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Long-term litter decomposition controlled by manganese redox cycling

Significance The rate-controlling mechanisms of litter decomposition are of fundamental importance for ecosystem nutrient cycling, productivity, and net carbon (C) balance. Current C cycling models rely primarily on climatic factors and lignin content as the main predictors of litter decomposition rates. Here, we show how the ability of the integrated plant–soil system to promote active redox cycling of manganese (Mn) regulates litter decomposition. Our work suggests that incorporating the coupling of litter decomposition and other elemental cycles, such as the Mn cycle, into conceptual and numerical models may significantly improve our mechanistic understanding and predictions of C cycling in terrestrial ecosystems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗