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At least 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Riverine bacterioplankton and phytoplankton assembly along an environmental gradient induced by urbanization

In the Anthropocene, human activities are intensifying stresses on biological communities across ecosystems. Knowledge on how environmental changes influence microbial community dynamics is crucial but currently limited. Here we unraveled ecological processes generating distribution patterns of bacterioplankton and phytoplankton communities in a river draining an urbanizing watershed in southern China. In this ecosystem, longitudinal environmental heterogeneity and directional flow potentially have counteracting effects on planktonic community assembly. Using simultaneously multiple approaches, we showed that the observed compositional patterns result from an interplay of stochastic and deterministic processes, indicating that dispersal via fluvial connectivity could not override local selective pressures. Successional shifts in the relative importance of the above processes were associated with trends in climatic factors. High diversity was observed at the intermediate levels of ecological processes alongside intense inter-species interactions maintained by a few keystone taxa. Altogether, interactions between climatic conditions, landscape and hydrology control plankton community dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

MoVN-Cu Coatings for In Situ Tribocatalytic Formation of Carbon-Rich Tribofilms in Low-Viscosity Fuels

Inhibiting the tribological failure of mechanical assemblies which rely on fuels for lubrication is an obstacle to maintaining the lifetime of these systems with low-viscosity and low-lubricity fuels. Here in the present study, a MoVN-Cu nanocomposite coating was tribologically evaluated for durability in high- and low-viscosity fuels as a function of temperature, load, and sliding velocity conditions. The results indicate that the MoVN-Cu coating is effective in decreasing wear and friction relative to an uncoated steel surface. Raman spectroscopy, transmission electron microscopy, and electron-dispersive spectroscopy analysis of the MoVN-Cu worn surfaces confirmed the presence of an amorphous carbon-rich tribofilm which provides easy shearing and low friction during sliding. Further, the characterization of the formed tribofilm revealed the presence of nanoscale copper clusters overlapping with the carbon peak intensities supporting the tribocatalytic origin of the surface protection. The tribological assessment of the MoVN-Cu coating reveals that the coefficient of friction decreased with increasing material wear and initial contact pressure. These findings suggest that MoVN-Cu is a promising protective coating for fuel-lubricated assemblies due to its adaptive ability to replenish lubricious tribofilms from hydrocarbon environments.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mott insulators with boundary zeros

The topological classification of electronic band structures is based on symmetry properties of Bloch eigenstates of single-particle Hamiltonians. In parallel, topological field theory has opened the doors to the formulation and characterization of non-trivial phases of matter driven by strong electron-electron interaction. Even though important examples of topological Mott insulators have been constructed, the relevance of the underlying non-interacting band topology to the physics of the Mott phase has remained unexplored. Here, we show that the momentum structure of the Green’s function zeros defining the “Luttinger surface" provides a topological characterization of the Mott phase related, in the simplest description, to the one of the single-particle electronic dispersion. Considerations on the zeros lead to the prediction of new phenomena: a topological Mott insulator with an inverted gap for the bulk zeros must possess gapless zeros at the boundary, which behave as a form of “topological antimatter” annihilating conventional edge states. Placing band and Mott topological insulators in contact produces distinctive observable signatures at the interface, revealing the otherwise spectroscopically elusive Green’s function zeros.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Octave-spanning terahertz quarter-wave plates based on over-coupled Fabry–Pérot resonances in reflective metal–dielectric–metal metasurfaces

Compact devices for broadband polarization control in the terahertz (THz) regime remain challenging to realize due to the intrinsic phase dispersion associated with birefringent materials and resonant structures. Here, we demonstrate achromatic THz quarter-wave plates with near-unity efficiency and operating under a wide range of incidence angles, based on over-coupled metal–dielectric–metal reflective metasurfaces. The devices operate as single-port anisotropic Fabry–Pérot cavities, in which the phase dispersion of the over-coupled resonances is engineered to maintain an approximately constant relative phase delay between orthogonal field components over a broad frequency range. Four complementary metasurface designs operating at an incidence angle of 45° collectively cover the 0.25–3 THz frequency range accessible to a typical THz time-domain spectroscopy system. Each device exhibits an approximately octave-wide operational bandwidth, with axial ratios below 3 dB and polarization-conversion efficiencies exceeding 80% across most of the operating band. Systematic structural optimization suppresses coupling to diffraction and guided-wave modes, thereby further extending the usable bandwidth while preserving the required phase relationship between orthogonal polarizations. The demonstrated metasurfaces are compatible with wafer-scale fabrication processes, and experimental results show excellent agreement with simulations. These findings establish over-coupled reflective metasurfaces as a robust, scalable, and versatile platform for broadband THz polarization control.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hydroxycinnamaldehyde-derived benzofuran components in lignins

Abstract Lignin is an abundant polymer in plant secondary cell walls. Prototypical lignins derive from the polymerization of monolignols (hydroxycinnamyl alcohols), mainly coniferyl and sinapyl alcohol, via combinatorial radical coupling reactions and primarily via the endwise coupling of a monomer with the phenolic end of the growing polymer. Hydroxycinnamaldehyde units have long been recognized as minor components of lignins. In plants deficient in cinnamyl alcohol dehydrogenase, the last enzyme in the monolignol biosynthesis pathway that reduces hydroxycinnamaldehydes to monolignols, chain-incorporated aldehyde unit levels are elevated. The nature and relative levels of aldehyde components in lignins can be determined from their distinct and dispersed correlations in 2D 1H–13C-correlated nuclear magnetic resonance (NMR) spectra. We recently became aware of aldehyde NMR peaks, well resolved from others, that had been overlooked. NMR of isolated low-molecular-weight oligomers from biomimetic radical coupling reactions involving coniferaldehyde revealed that the correlation peaks belonged to hydroxycinnamaldehyde-derived benzofuran moieties. Coniferaldehyde 8-5-coupling initially produces the expected phenylcoumaran structures, but the derived phenolic radicals undergo preferential disproportionation rather than radical coupling to extend the growing polymer. As a result, the hydroxycinnamaldehyde-derived phenylcoumaran units are difficult to detect in lignins, but the benzofurans are now readily observed by their distinct and dispersed correlations in the aldehyde region of NMR spectra from any lignin or monolignol dehydrogenation polymer. Hydroxycinnamaldehydes that are coupled to coniferaldehyde can be distinguished from those coupled with a generic guaiacyl end-unit. These benzofuran peaks may now be annotated and reported and their structural ramifications further studied.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Low-energy physics of isotropic spin-1 chains in the critical and Haldane phases

Using a matrix product state algorithm with infinite boundary conditions, we compute high-resolution dynamic spin and quadrupolar structure factors in the thermodynamic limit to explore the low-energy excitations of isotropic bilinear-biquadratic spin-1 chains. Haldane mapped the spin-1 Heisenberg antiferromagnet to a continuum field theory, the nonlinear sigma model (NLσM). In this work, we find that the NLσM fails to capture the influence of the biquadratic term and provides only an unsatisfactory description of the Haldane phase physics. But several features in the Haldane phase can be explained by noninteracting multimagnon states. The physics at the Uimin-Lai-Sutherland point is characterized by multisoliton continua. Moving into the extended critical phase, we find that these excitation continua contract, which we explain using a field-theoretic description. New excitations emerge at higher energies and, in the vicinity of the purely biquadratic point, they show simple cosine dispersions. Using block fidelities, we identify them as elementary one-particle excitations and relate them to the integrable Temperley-Lieb chain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Fuel Cell Membrane Electrode Assemblies with Ultra-Low Pt Nanofiber Electrodes (Final Report)

H 2 /air fuel cell membrane-electrode-assemblies (MEAs) were fabricated with electrospun particle/polymer nanofiber mat cathodes (0.1 mg Pt /cm 2 or 0.2 mg Pt /cm 2 Pt/C, PtCo/C or PtNi/C) and anodes (0.1 mg/cm 2 Pt/C), where the binder was a mixture of acid-form perfluorosulfonic acid ionomer (e.g., Nafion™) and poly(acrylic acid) (PAA) carrier polymer or sodium-form PFSA with a carrier polymer of either PAA or polyethylene oxide (PEO). For the latter two cases, the water-soluble carrier was removed from the fibers after electrospinning. MEAs with Pt/C anode/cathode catalyst loadings of 0.1 mg Pt /cm2 each, an 1100 EW PFSA binder (Nafion™ dispersion), and a Nafion 211 membrane produced high power at both high and low relative humidity (RH) conditions, e.g., a maximum power density of 919 mW/cm 2 at 100% RH and 832 mW/cm 2 at 40% RH for a test at 80 °C and 200 kPa abs . The high power at low RH was attributed to nm-size pores within the fibers that trap water via capillary condensation thus maintaining a high proton conductivity of the PFSA binder in the cathode and especially the anode while minimizing/eliminating ionic isolation of catalyst particles in low water content, poorly conductive binder. At the same time, micro-porosity between fibers in the cathode allows for fast removal of electrogenerated water, thus minimizing cathode flooding. Nanofiber MEAs with Pt alloy catalyst cathodes also performed well, where a fibrous PtCo/C catalyst cathode at a loading of 0.1 mg/cm 2 produced 20% more power than a conventional powder cathode MEA, e.g., a maximum power density of 1,045 mW/cm 2 vs. 869 mW/cm 2 at 80 °C, 100% RH, and 200 kPa abs , and a PtNi/C fiber cathode MEAs prepared with Na+-form Nafion + PEO generated a maximum power of 820 mW/cm 2 at 40% RH. Fiber electrode MEAs with a neat Nafion binder (prepared from Na+-form Nafion + PEO or PAA) where the cathode Pt loading was ~0.1 mg/cm 2 exhibited a 25% loss in maximum power at 30,000 metal dissolution cycles, as compared to a 12% loss when the cathode binder was H+-form Nafion + PAA. The performance of a fiber mat electrode MEA with Pt/C catalyst (0.2 mg/cm 2 cathode loading and 0.1 mg/cm 2 anode loading) was excellent. At 80 oC and 200 kPa abs , the maximum power density was 1104 mW/cm 2 . The maximum power was independent of feed gas humidity for 40 < RH < 100%. The power loss after a metal dissolution AST (30,000 voltage cycles) was only 13%.

08 HYDROGEN↗
DOE OSTI2026

Hydrated Metal and Metal-Nitrate Complexes in Water: Full Lanthanide(III) Series plus Miscellaneous Metal Ions

This is a dataset of hydrated metal complexes and metal–nitrate hydrated complexes intended for public use, reproducibility, and downstream structural analysis. A key feature is coverage across the full lanthanide(III) series (La–Lu), enabling systematic comparisons of coordination motifs and bonding trends across the entire lanthanide sequence. In addition to the lanthanides, the dataset also includes other metal ions such as UO2(VI), Fe(II), and Fe(III). The dataset provides optimized geometries for hydrated and nitrate-containing hydrated complexes, together with representative ab initio molecular dynamics (AIMD) trajectories saved in standard XYZ formats. The accompanying NWChem input decks enable reproduction of the reported calculations and provide a starting point for extending the simulations to related coordination environments. Computationally, DFT calculations employ the B3LYP functional with DFT-D3BJ dispersion corrections and a COSMO continuum solvent model (dielectric constant 78.4) to represent solvation beyond the explicitly treated first hydration shell. AIMD simulations are performed with the NWChem qmd module at 298 K, integrating nuclear motion with the velocity-Verlet algorithm and controlling temperature using a Nosé–Hoover thermostat. Trajectories are approximately 4.8 ps in length and are used primarily to assess short-time stability of candidate coordination motifs, including (for lanthanides) differences between 8- versus 9-water coordination and comparisons between nitrate-bound and nitrate-free hydrated complexes.

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗
NASA NTRS1972

Resonant diffusion in the presence of strong plasma turbulence.

The diffusion equation which describes the evolution of the average one-particle distribution function for an ensemble of strongly turbulent plasmas is derived. The diffusion tensor is a time integral of the autocorrelation tensor of the fluctuations as observed by particles moving along statistically distributed orbits. These orbits contain the effects of fluctuations and thus differ from those encountered in weak turbulence theory. Two statistical orbit effects quadratic in the strength of the fluctuations affect the magnitude of the diffusion: (a) modification of the ensemble average orbits by the fluctuations, and (b) statistical dispersion in particle orbits about the average. The plasma trajectory equations are used to relate each to the diffusion tensor itself when the turbulence is electrostatic. The diffusion tensor is explicitly evaluated for a strongly turbulent unmagnetized plasma.

Birmingham, T. J.↗
NASA NTRS1975

Development of a three-dimensional time-dependent flow field model

A three-dimensional, time-dependent mathematical model to represent Mobile Bay was developed. Computer programs were developed which numerically solve the appropriate conservation equations for predicting bay and estuary flow fields. The model is useful for analyzing the dispersion of sea water into fresh water and the transport of sediment, and for relating field and physical model data.

Farmer, R. C.↗
NASA NTRS1978

Gravitational N-body problem on the accretion process of terrestrial planets

Numerical integration of the gravitational N-body problem has been carried out for a variety of protoplanetary clusters in the range N = 100 to 200. Particles are assumed to coagulate at collisions irrespective of relative velocity and mass ratio of the particles. It is shown graphically how the dispersed N-bodies accumulate to a single planet through mutual collisions. The velocity distribution and size distribution of bodies are also investigated as functions of time in the accretion process. Accretion rates of planets are found to be dependent strongly on the initial number density distribution, the initial size distribution, and the initial velocity distribution of bodies. Formation of satellites of about 10% in the planet mass is common to most cases in the present study. A substantial mass of bodies also escapes from the cluster. Many satellites and escapers formed during the accretion process of planets may be source materials of heavy bombardment in the early history of planets.

Matsui, T.↗
NASA NTRS1983

Upstream gyrophase bunched ions - A mechanism for creation at the bow shock and the growth of velocity space structure through gyrophase mixing

The conditions necessary for the production of gyrophase bunched ions at the bow shock are developed. The conditions are applied to the reflection mechanism presented by Paschmann et al. (1980), showing that when in their model a portion of the incident parallel velocity is converted into reflected perpendicular velocity, the reflected particles are gyrophase bunched. The growth of velocity space structure in the gyrophase bunched distribution through gyrophase mixing is also explored. The structure is found to be similar to that reported in diffuse and dispersed ion events. This together with the close correlation of the observation of gyrophase bunched ions with diffuse and dispersed ions has led us to speculate that these two populations may be closely related.

Gurgiolo, C.↗
NASA NTRS1988

Simulation of L-band and HH microwave backscattering from coniferous forest stands - A comparison with SIR-B data

SIR-B images of the Mt. Shasta region of northern California are used to evaluate a composite L-band HH backscattering model of coniferous forest stands. It is found that both SIR-B and simulated backscattering coefficients for eight stands studied have similar trends and relations to average tree height and average number of trees per pixel. Also, the dispersion and distribution of simulated backscattering coefficients from each stand broadly match SIR-B data from the same stand. Although the limited quality and quantity of experimental data makes it difficult to draw any strong conclusions, the comparisons indicate that a stand-based L-band HH composite model seems promising for explaining backscattering features.

Sun, Guo-Qing↗
NASA NTRS1995

Application of non-coherent Doppler data types for deep space navigation

Recent improvements in computational capability and Deep Space Network technology have renewed interest in examining the possibility of using one-way Doppler data alone to navigate interplanetary spacecraft. The one-way data can be formulated as the standard differenced-count Doppler or as phase measurements, and the data can be received at a single station or differenced if obtained simultaneously at two stations. A covariance analysis is performed which analyzes the accuracy obtainable by combinations of one-way Doppler data and compared with similar results using standard two-way Doppler and range. The sample interplanetary trajectory used was that of the Mars Pathfinder mission to Mars. It is shown that differenced one-way data is capable of determining the angular position of the spacecraft to fairly high accuracy, but has relatively poor sensitivity to the range. When combined with single station data, the position dispersions are roughly an order of magnitude larger in range and comparable in angular position as compared to dispersions obtained with standard data two-way types. It was also found that the phase formulation is less sensitive to data weight variations and data coverage than the differenced-count Doppler formulation.

Bhaskaran, Shyam↗
NASA NTRS1988

High temperature regenerative H.sub.2 S sorbents

Efficient, regenerable sorbents for removal of H.sub.2 S from high temperature gas streams comprise porous, high surface area particles. A first class of sorbents comprise a thin film of binary oxides that form a eutectic at the temperature of the gas stream coated onto a porous, high surface area refractory support. The binary oxides are a mixture of a Group VB or VIB metal oxide with a Group IB, IIB or VIII metal oxide such as a film of V-Zn-O, V-Cu-O, Cu-Mo-O, Zn-Mo-O or Fe-Mo-O coated on an alumina support. A second class of sorbents consist of particles of unsupported mixed oxides in the form of highly dispersed solid solutions of solid compounds characterized by small crystallite size, high porosity and relatively high surface area. The mixed oxide sorbents contain one Group IB, IIB or VIIB metal oxide such as copper, zinc or manganese and one or more oxides of Groups IIIA, VIB or VII such as aluminum, iron or molybdenum. The presence of iron or aluminum maintains the Group IB, IIB or VIIB metal in its oxidized state. Presence of molybdenum results in eutectic formation at sulfidation temperature and improves the efficiency of the sorbent.

Flytani-Stephanopoulos, Maria↗
NASA NTRS2011

Temporal and Spatial Aspects of Gas Release During the 2010 Apparition of Comet 103P/Hartley-2

We report measurements of eight primary volatiles (H2O, HCN, CH4, C2H6, CH3OH, C2H2, H2CO, and NH3) and two product species (OH and NH2) in comet 103P/Hartley-2 using high dispersion infrared spectroscopy. We present production rates for individual volatiles species, their mixing ratios relative to water, and their spatial distributions in the coma on multiple dates that span the interval Sept. - Dec. 2010. The production rates vary strongly with nucleus rotation, but the mixing ratios remain constant throughout the campaign. The released primary volatiles exhibit diverse spatial properties which favor the presence of separate polar and apolar ice phases in the nucleus, establish dust and gas release from icy clumps (and also, directly from the nucleus), and provide insights into the driver for the cyanogen (CN) polar jet.

Bonev, B. P.↗
NASA NTRS2012

Optical and Scanning Electron Microscopy of the Materials International Space Station Experiment (MISSE) Spacecraft Silicone Experiment

Under a microscope, atomic oxygen (AO) exposed silicone surfaces are crazed and seen as "islands" separated by numerous crack lines, much analogous to mud-tile cracks. This research characterized and compared the degree of AO degradation of silicones by analyzing optical microscope images of samples exposed to low Earth orbit (LEO) AO as part of the Spacecraft Silicone Experiment. The Spacecraft Silicone Experiment consisted of eight DC 93-500 silicone samples exposed to eight different AO fluence levels (ranged from 1.46 to 8.43 10(exp 21) atoms/sq cm) during two different Materials International Space Station Experiment (MISSE) missions. Image analysis software was used to analyze images taken using a digital camera. To describe the morphological degradation of each AO exposed flight sample, three different parameters were selected and estimated: (1) average area of islands was determined and found to be in the 1000 to 3100 sq mm range; (2) total length of crack lines per unit area of the sample surface were determined and found to be in the range of 27 to 59 mm of crack length per sq mm of sample surface; and (3) the fraction of sample surface area that is occupied by crack lines was determined and found to be in the 25 to 56 percent range. In addition, average crack width can be estimated from crack length and crack area measurements and was calculated to be about 10 mm. Among the parameters studied, the fraction of sample surface area that is occupied by crack lines is believed to be most useful in characterizing the degree of silicone conversion to silicates by AO because its value steadily increases with increasing fluence over the entire fluence range. A series of SEM images from the eight samples exposed to different AO fluences suggest a complex sequence of surface stress due to surface shrinkage and crack formation, followed by re-distribution of stress and shrinking rate on the sample surface. Energy dispersive spectra (EDS) indicated that upon AO exposure, carbon content on the surface decreased relatively quickly at the beginning, to 32 percent of the pristine value for the least exposed sample in this set of experiments (1.46 10(exp 21) atoms/sq cm), but then decreased slowly, to 22 percent of the pristine value for the most exposed sample in this set of experiment (8.43 10(exp 21) atoms/sq cm). The oxygen content appears to increase at a slower rate. The least and most AO exposed samples were, respectively, 52 and 150 percent above the pristine values. The silicone samples with the greater AO exposure (7.75 10(exp 21) atoms/sq cm and higher) appear to have a surface layer which contains SiO2 with perhaps small amounts of unreacted silicone, CO and CO2 sealed inside.

Hung, Ching-cheh↗
NASA NTRS2015

Metal-Poor, Strongly Star-Forming Galaxies in the DEEP2 Survey: The Relationship Between Stellar Mass, Temperature-Based Metallicity, and Star Formation Rate

We report on the discovery of 28 redshift (z) approximately equal to 0.8 metal-poor galaxies in DEEP2. These galaxies were selected for their detection of the weak [O (sub III)] lambda 4363 emission line, which provides a "direct" measure of the gas-phase metallicity. A primary goal for identifying these rare galaxies is to examine whether the fundamental metallicity relation (FMR) between stellar mass, gas metallicity, and star formation rate (SFR) holds for low stellar mass and high SFR galaxies. The FMR suggests that higher SFR galaxies have lower metallicity (at fixed stellar mass). To test this trend, we combine spectroscopic measurements of metallicity and dust-corrected SFR with stellar mass estimates from modeling the optical photometry. We find that these galaxies are 1.05 plus or minus 0.61 dex above the redshift (z) approximately 1 stellar mass-SFR relation and 0.23 plus or minus 0.23 dex below the local mass-metallicity relation. Relative to the FMR, the latter offset is reduced to 0.01 dex, but significant dispersion remains dex with 0.16 dex due to measurement uncertainties). This dispersion suggests that gas accretion, star formation, and chemical enrichment have not reached equilibrium in these galaxies. This is evident by their short stellar mass doubling timescale of approximately equal to 100 (sup plus 310) (sub minus 75) million years which suggests stochastic star formation. Combining our sample with other redshift (z) of approximately 1 metal-poor galaxies, we find a weak positive SFR-metallicity dependence (at fixed stellar mass) that is significant at 94.4 percent confidence. We interpret this positive correlation as recent star formation that has enriched the gas but has not had time to drive the metal-enriched gas out with feedback mechanisms.

Metal-Poor↗