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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Comparative performance of PETase as a function of reaction conditions, substrate properties, and product accumulation

There is keen interest to develop new technologies to recycle the plastic poly(ethylene terephthalate) (PET). To this end, the use of PET-hydrolyzing enzymes has shown promise for PET deconstruction to its monomers, terephthalate (TPA) and ethylene glycol (EG). Here, we compare the Ideonella sakaiensis PETase wild-type enzyme to a previously reported improved variant (W159H/S238F). We compare the thermostability of each enzyme and describe a 1.45 Å resolution structure of the mutant, highlighting changes in the substrate binding cleft compared to the wild-type enzyme. Subsequently, the performance of the wild-type and variant enzyme was compared as a function of temperature, substrate morphology, and reaction mixture composition. These studies show that reaction temperature has the strongest influence on performance between the two enzymes. We also show that both enzymes achieve higher levels of PET conversion for substrates with moderate crystallinity relative to amorphous substrates. Finally, we assess the impact of product accumulation on reaction progress for the hydrolysis of both PET and bis(2-hydroxyethyl) terephthalate (BHET). Each enzyme displays different inhibition profiles to mono(2-hydroxyethyl) terephthalate (MHET) and TPA, while both are sensitive to inhibition by EG. Overall, this work highlights the importance of reaction conditions, substrate selection, and product accumulation for catalytic performance of PET-hydrolyzing enzymes, which have implications for enzyme screening in the development of enzyme-based polyester recycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

On the Radiation Effects of Strontium Ions on Satellite Solar Cells in Low Earth Orbits

This study focuses on the radiation effects 19 of Sr + ions—generated from high-altitude nuclear explosions (HANE)—on satellite solar cells in low-Earth orbits (LEO). Along four selected satellite orbits, ion fluences are sampled inside the evolving Sr + distributions for days, determined from our newly developed HANE environment model. These fluences, along with the help of radiation transport codes including the MULASSIS and SRIM models, enable us to quantify the radiation damages by determining the values of total ionizing doses and the equivalent 1 MeV electron fluences for displacement damages. Comparing the dose values to existing experimental data, we conclude that HANE-generated Sr + ions have limited darkening effects to quartz solar cell coverglasses in LEO with apogees of 100s to 1000 km. In addition, with the extremely high equivalent fluences, we also conclude that these Sr+ ions may cause severe or even fatal displacement damage to exposed solar photovoltaic (PV) cells on satellites in LEO. The radiation effects of Sr + ions are much less significant for the orbits with high apogees beyond ten thousand km. We also conducted model parameter sensitivity studies on the charge exchange cross-sections, neutral atmosphere density profiles and explosion local time positions, and the above conclusions stay unchanged. The methodology developed in this study can be extended to other HANE-generated heavy ion species in the future.

14 SOLAR ENERGY↗
DOE OSTI2023

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Chapter 5

This chapter presents selected GW flow and radionuclide contaminant transport results from PORFLOW for the VZ and aquifer zone for each type of DU (STs, ETs, LAWV, ILV, and NRCDAs). Results for the nominal PA compliance case and various sensitivity cases are given. Results for the VZ include water saturation spatial profiles and radionuclide flux-to-the-water- table time profiles. Aquifer zone results include maximum concentration spatial contours; radionuclide concentration time profiles at the 100-meter POA; and peak concentrations at the 100-meter POA and time of occurrence for each modeled radionuclide.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

SIDM Concerto: Compilation and Data Release of Self-interacting Dark Matter Zoom-in Simulations

We present SIDM Concerto: 14 cosmological zoom-in simulations in cold dark matter (CDM) and self-interacting dark matter (SIDM) models based on the Symphony and Milky Way-est suites. SIDM Concerto includes one Large Magellanic Cloud– (LMC-) mass system (host mass ∼10 11 M ⊙ ), two Milky Way (MW) analogs (∼10 12 M ⊙ ), two group-mass hosts (∼10 13 M ⊙ ), and one low-mass cluster (∼10 14 M ⊙ ). Each host contains ≈2 × 10 7 particles and is run in CDM and one or more strong, velocity-dependent SIDM models. Our analysis of SIDM (sub)halo populations over seven subhalo mass decades reveals that (1) the fraction of core-collapsed isolated halos and subhalos peaks at a maximum circular velocity corresponding to the transition of the SIDM cross section from a v −4 to v 0 scaling; (2) SIDM subhalo mass functions are suppressed by ≈50% relative to CDM in LMC, MW, and group-mass hosts but are consistent with CDM in the low-mass cluster host; (3) subhalos’ inner density profile slopes, which are more diverse in SIDM than in CDM, are sensitive to both the amplitude and shape of the SIDM cross section. Our simulations provide a benchmark for testing SIDM predictions with astrophysical observations of field and satellite galaxies, strong lensing systems, and stellar streams. Data products are publicly available at doi:10.5281/zenodo.14933624.

dark matter↗
DOE OSTI2024

Deriving cloud droplet number concentration from surface-based remote sensors with an emphasis on lidar measurements

Abstract. Given the importance of constraining cloud droplet number concentrations (Nd) in low-level clouds, we explore two methods for retrieving Nd from surface-based remote sensing that emphasize the information content in lidar measurements. Because Nd is the zeroth moment of the droplet size distribution (DSD), and all remote sensing approaches respond to DSD moments that are at least 2 orders of magnitude greater than the zeroth moment, deriving Nd from remote sensing measurements has significant uncertainty. At minimum, such algorithms require the extrapolation of information from two other measurements that respond to different moments of the DSD. Lidar, for instance, is sensitive to the second moment (cross-sectional area) of the DSD, while other measures from microwave sensors respond to higher-order moments. We develop methods using a simple lidar forward model that demonstrates that the depth to the maximum in lidar-attenuated backscatter (Rmax⁡) is strongly sensitive to Nd when some measure of the liquid water content vertical profile is given or assumed. Knowledge of Rmax⁡ to within 5 m can constrain Nd to within several tens of percent. However, operational lidar networks provide vertical resolutions of > 15 m, making a direct calculation of Nd from Rmax⁡ very uncertain. Therefore, we develop a Bayesian optimal estimation algorithm that brings additional information to the inversion such as lidar-derived extinction and radar reflectivity near the cloud top. This statistical approach provides reasonable characterizations of Nd and effective radius (re) to within approximately a factor of 2 and 30 %, respectively. By comparing surface-derived cloud properties with MODIS satellite and aircraft data collected during the MARCUS and CAPRICORN II campaigns, we demonstrate the utility of the methodology.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Turbulent mixing of multiple, co-axial helium jets in a supersonic air stream

An experimental study of a strut-mounted, five-port, coaxial gaseous fuel injector assembly in a Mach 4 air stream with P sub o = 145 psia and T sub o = 546 R was conducted. Helium was used as the injectant, and the interjet spacing was the main parameter varied. The principal data are in the form of helium concentration profiles at six axial stations and pitot pressure profiles at two axial stations. Schlieren photographs are also presented. The slight sensitivity of the mixing rate to decreased interjet spacing was determined in the range 3.5 or = to S/D or = to 5.0.

Lorber, A. K.↗
NASA NTRS1977

A study on characterization of stratospheric aerosol and gas parameters with the spacecraft solar occultation experiment

Spacecraft remote sensing of stratospheric aerosol and ozone vertical profiles using the solar occultation experiment has been analyzed. A computer algorithm has been developed in which a two step inversion of the simulated data can be performed. The radiometric data are first inverted into a vertical extinction profile using a linear inversion algorithm. Then the multiwavelength extinction profiles are solved with a nonlinear least square algorithm to produce aerosol and ozone vertical profiles. Examples of inversion results are shown illustrating the resolution and noise sensitivity of the inversion algorithms.

Chu, W. P.↗
NASA NTRS1977

A measurement system for the atmospheric trace gases CH4 and CO

A system for measuring ambient clean air levels of the atmospheric trace gases methane and carbon monoxide is described. The analytical method consists of a gas chromatographic technique that incorporates sample preconcentration with catalytic conversion of CO to CH4 and subsequent flame ionization detection of these gases. The system has sufficient sensitivity and repeatability to make the precise measurements required to establish concentration profiles for CO and CH4 in the planetary boundary layer. A discussion of the bottle sampling program being conducted to obtain the samples for the concentration profiles is also presented.

Condon, E. P.↗
NASA NTRS1979

Emission and extinction of ground and vapor-condensed silicates from 4 to 14 microns and the 10 micron silicate feature

Emission and absorption spectra from 4 to 14 microns of ground and laser-vaporized olivine and enstatite silicates are compared with the 10-micron emission feature of the Orion Trapezium. The agreement in band center and shape between the amorphous laser-vaporized olivine sample and the Trapezium feature suggests that amorphous silicate grains of approximately olivine composition may be a major constituent of interstellar dust. Differences between the emission and absorption spectral profiles (absorption plus scattering) show characteristics that could be used as a sensitive probe of the morphology of interstellar grain systems when high signal-to-noise ratio (30-100) observational spectra become available.

Stephens, J. R.↗
NASA NTRS2000

SHADOZ Comparisons with TOMS

One year of balloon-sonde profiles taken from the Southern Hemisphere ADditional OZonesondes (SHADOZ) archive have been compared with data from the Earth Probe Total Ozone Mapping Spectrometer (TOMS) by integrating the balloon profiles to obtain total column ozone. The TOMS backscattered ultraviolet measurement loses sensitivity to ozone in the lowest five to ten kilometers of the atmosphere, limiting the accuracy of the TOMS measurement of tropospheric ozone. This is shown by the increased deviation between TOMS total ozone and the sonde total in the tropical Pacific, where tropospheric ozone is known to be lower than the tropical climatological average. The TOMS underestimate is further confirmed by the correlation of deviations between TOMS and the sondes with changes in lower tropospheric ozone. After allowing for the TOMS offset, the sondes appear to underestimate ozone by three to five percent. This is confirmed by a limited number of comparisons with Dobson data.

McPeters, Richard D.↗
NASA NTRS2000

The Heavy Element Abundance in Groups of Galaxies

Over the past few years we have analyzed a sample of clusters observed by the Advanced Spacecraft for Cosmology Astrophysics (ASCA) X-ray satellite. We performed spatially resolved X-ray spectroscopy of a sample of 18 relaxed clusters of galaxies with gas temperatures below 4 keV. The spectral analysis was done using ASCA/SIS (Solid state Imaging Spectrometer) data combined with imaging data from ROSAT/PSPC (German acronym for X-ray satellite/Position Sensitive Proportional Counter) and Einstein/IPC (Imaging Proportional Counter) observations. We derived temperature profiles using single-temperature fits for all of the clusters in the sample, and also corrected for the presence of cold gas in the center of so-called 'cooling flow' clusters. For all of the clusters in the sample we derived Si and Fe abundance profiles. For a few of the clusters we also were able to derive Ne and S abundance profiles. We compared the elemental abundances derived at similar overdensities in all of the clusters in the sample. We also compared element mass-to-light ratios for the entire sample. We concluded that the preferential accretion of low entropy, low abundance gas into the potentials of groups and cold clusters can explain most of the observed trends in metallicity. In addition, we discussed the importance of preheating of the intracluster medium by Type II supernovae on the cluster scaling relations.

David, Laurence↗
NASA NTRS2005

Simulations of a Liquid Hydrogen Inducer at Low-Flow Off-Design Flow Conditions

The ability to accurately model details of inlet back flow for inducers operating a t low-flow, off-design conditions is evaluated. A sub-scale version of a three-bladed liquid hydrogen inducer tested in water with detailed velocity and pressure measurements is used as a numerical test bed. Under low-flow, off-design conditions the length of the separation zone as well as the swirl velocity magnitude was under predicted with a standard k-E model. When the turbulent viscosity coefficient was reduced good comparison was obtained a t all the flow conditions examined with both the magnitude and shape of the profile matching well with the experimental data taken half a diameter upstream of the leading edge. The velocity profiles and incidence angles a t the leading edge itself were less sensitive to the back flow length predictions indicating that single-phase performance predictions may be well predicted even if the details of flow separation modeled are incorrect. However, for cavitating flow situations the prediction of the correct swirl in the back flow and the pressure depression in the core becomes critical since it leads to vapor formation. The simulations have been performed using the CRUNCH CFD(Registered Trademark) code that has a generalized multi-element unstructured framework and a n advanced multi-phase formulation for cryogenic fluids. The framework has been validated rigorously for predictions of temperature and pressure depression in cryogenic fluid cavities and has also been shown to predict the cavitation breakdown point for inducers a t design conditions.

Hosangadi, A.↗
NASA NTRS2006

Opposed Jet Burner Approach for Characterizing Flameholding Potentials of Hydrocarbon Scramjet Fuels

Opposed Jet Burner (OJB) tools have been used extensively by the authors to measure Flame Strength (FS) extinction limits of laminar H2/N2 air and (recently) hydrocarbon (HC) air Counterflow Diffusion Flames (CFDFs) at one atm. This paper details normalization of FSs of N2- diluted H2 and HC systems to account for effects of fuel composition, temperature, pressure, jet diameter, inflow Reynolds number, and inflow velocity profile (plug, contoured nozzle; and parabolic, straight tube). Normalized results exemplify a sensitive accurate means of validating, globally, reduced chemical kinetic models at approx. 1 atm and the relatively low temperatures approximating the loss of non-premixed idealized flameholding, e.g., in scramjet combustors. Laminar FS is defined locally as maximum air input velocity, U(sub air), that sustains combustion of a counter-jet of g-fuel at extinction. It uniquely characterizes a fuel. And global axial strain rate at extinction (U(sub air) normalized by nozzle or tube diameter, D(sub n or (sub t)) can be compared directly with computed extinction limits, determined using either a 1-D Navier Stokes stream-function solution, using detailed transport and finite rate chemistry, or (better yet) a detailed 2-D Navier Stokes numerical simulation. The experimental results define an idealized flameholding reactivity scale that shows wide ranging (50 x) normalized FS s for various vaporized-liquid and gaseous HCs, including, in ascending order: JP-10, methane, JP-7, n-heptane, n-butane, propane, ethane, and ethylene. Results from H2 air produce a unique and exceptionally strong flame that agree within approx. 1% of a recent 2-D numerically simulated FS for a 3 mm tube-OJB. Thus we suggest that experimental FS s and/or FS ratios, for various neat and blended HCs w/ and w/o additives, offer accurate global tests of chemical kinetic models at the Ts and Ps of extinction. In conclusion, we argue the FS approach is more direct and fundamental, for assessing, e.g., idealized scramjet flameholding potentials, than measurements of laminar burning velocity or blowout in a Perfectly Stirred Reactor, because the latter characterize premixed combustion in the absence of aerodynamic strain. And FS directly measures a chemical kinetic characteristic of non-premixed combustion at typical flameholding temperatures. It mimics conditions where gfuels are typically injected into a subsonic flameholding recirculation zone that captures air, where the effects of aerodynamic strain and associated multi-component diffusion become important.

Pellett, Gerald L.↗
NASA NTRS2011

Submillimeter Remote Sensing of Planetary and Cometary Atmospheres and LRO/LCROSS Observations of the Moon

Submillimeter remote sensing of planetary and cometary atmospheres have been proposed for Venus and Mars while MIRO on Rosetta will observe the coma of Comet 67P/Churyumov - Cierasimenko in December 2015, UARS and AURA MLS have observed millimeter and submillimeter molecule emissions in the Earth's stratosphere for many decades, Observations of submillimeter wave molecular emissions provide a wealth of information not obtainable by alternative techniques. Submillimeter line emissions exhibit linear temperature dependence, insensitivity to aerosol scattering, extinction, and have separated transitions with well determined line-shapes. These observations have high sensitivities to trace chemical species and can; 1) Fully resolve the line profiles of molecules with high resolution, 2) Provide deterministic retrievals of species abundance, temperature, and pressure, and 3) Measure Doppler shifts of detected molecules for wind velocities.

Chin, Gordon↗
NASA NTRSDate not supplied

TPSAS-NF1676L-20351-DND

Characterization of atmospheric variability is crucial to the design of the Entry, Descent, and Landing (EDL) activities at Mars. The distribution of dust in the Martian atmosphere has a significant impact on the atmospheric structure and variability. Information obtained through reconstruction of EDL data from past missions can be used in studying the performance of a model used in preflight atmospheric characterization for future missions. We use the Mars Weather Research and Forecasting (MarsWRF) General Circulation Model to simulate the atmospheric temperature during the landing time periods of Mars Exploration Rovers MER-A and MER-B in 2004. The multi-scale capability of MarsWRF is useful for conducting high- resolution nested simulation centered at the landing site. This version of MarsWRF includes a high spectral accuracy k-distribution radiative transfer model. We use the IR dust opacity profile data from the Thermal Emission spectrometer (TES) limb scan data as well as the TES Nadir data to prescribe the dust opacity distribution. Data from MY 26, which corresponds to the year of MER landing, and data from a climatology based on the median of 4 years (MY24 to MY27) of TES data are used. Model temperature profiles are compared with the reconstructions from EDL data and TES observations. Sensitivity of the model simulation to variations in the input opacity data are shown.

Murali Natarajan↗
DOE OSTI2024

Accuracy of kinetic equilibrium reconstruction of NSTX and NSTX-U plasmas and its impact on the transport and stability analysis

An accurate magnetohydrodynamic (MHD) equilibrium reconstruction is an essential starting point for stability and transport plasma analysis. Herein this work describes an approach for obtaining kinetic equilibrium reconstructions using the OMFIT framework, which has been applied for the first time to spherical tokamak data from NSTX and NSTX-U. The EFIT equilibrium solver is integrated with experimental data analysis procedures and subsequent TRANSP transport simulations to enhance the accuracy of the reconstruction, in particular, at the edge region, by adding constraints on the total pressure and current density profiles, based on the transport code solution. The accuracy of the equilibrium reconstruction depends on the uncertainty and number of constraints, as well as the choice of basis functions to represent the pressure and current density profiles. Improved fidelity of the equilibrium reconstruction is demonstrated by reducing the variability of the magnetic axis and boundary locations from several centimeters, for reconstructions based on magnetic and experimental pressure constraints, to only several millimeters, for kinetic reconstructions based on transport code constraints, when different representations of basis functions were tested. The variability of the safety factor on axis was reduced ten times in the same sensitivity study. The accuracy of the equilibrium reconstruction and subsequent mapping of the experimental kinetic profile data have a significant impact on the trapped gyro Landau fluid and linear CGYRO turbulence simulations, which predict different spectra of unstable modes and turbulent fluxes for cases with different numbers of constraints in the equilibrium reconstruction. Conversely, the stability analysis performed using the GATO code shows plasmas that are stable to n = 1 MHD modes in both equilibria using magnetic and experimental pressure constraints as well as the transport code constrained equilibrium. However, a scan of parameters away from these conditions shows considerable deviation in the threshold of unstable modes between these reconstructions. Therefore, for reliable plasma analysis and use in turbulence and stability calculations, a high-fidelity equilibrium reconstruction with accurate kinetic constraints based on transport code solutions is necessary.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1995

What is the source of observed annual variations in plasmaspheric density?

Plasmaspheric densities have been observed previously to be higher in December than in June, with the ratio varying between 1.5 and 3.0 and with larger variations at lower L shells. In order to search for the cause of the observed annual variations, we have modeled plasmaspheric density, using a time-dependent hydrodynamic model. On an L = 2 field line with geomagnetic longitude equal to 300 deg, the modeled plasmaspheric densities were a factor of 1.5 times higher in December than in June. The modeled December to June density ratio was found to increase slightly with L shell, in contrast to observations; this discrepancy may be due to the fact that outer plasmaspheric flux tubes are never completely full. In addition, for an L = 2 field line with geomagnetic longitude equal to 120 deg, the modeled plasmaspheric density was higher in June than in December by a factor of about 1.2. Various numerical tests were also performed in order to examine the sensitivity of plasmaspheric density to various parameters. In particular, a large vertical neutral wind was applied in order to raise the O(+) profile which had the effect of raising plasmaspheric density by a factor of 6. This in conjunction with a theoretical analysis suggests that plasmaspheric density levels are very sensitive to O(+) levels in the upper ionosphere. We conclude that annual variations in plasmaspheric density are due to similar variations in ionospheric O(+).

Guiter, S. M.↗