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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

ARE OUTFLOWS BIASING SINGLE-EPOCH C IV BLACK HOLE MASS ESTIMATES?

We use a combination of reverberation mapping data and single-epoch (SE) spectra of the C IV emission line in a sample of both low- and high-redshift active galactic nuclei to investigate sources of the discrepancies between C IV- and H{beta}-based SE black hole (BH) mass estimates. We find that for all reverberation mapped sources, there is a component of the line profile that does not reverberate, and the velocity characteristics of this component vary from object to object. The differing strength and properties of this non-variable component are responsible for much of the scatter in C IV-based BH masses compared to H{beta} masses. The C IV mass bias introduced by this non-variable component is correlated with the shape of the C IV line, allowing us to make an empirical correction to the BH mass estimates. Using this correction and accounting for other sources of scatter, such as poor data quality and data inhomogeneity, reduces the scatter between the C IV and H{beta} masses in our sample by a factor of {approx}2, to only {approx}0.2 dex. We discuss the possibility that this non-variable C IV component originates in an orientation-dependent outflow from either the proposed broad-line region disk wind or the intermediate-line region, a high-velocity inner extension of the narrow-line region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Ammonia and methane dairy emissions in the San Joaquin Valley of California from individual feedlot to regional scale

Agricultural ammonia (NH 3 ) emissions are highly uncertain, with high spatiotemporal variability and a lack of widespread in situ measurements. Regional NH 3 emission estimates using mass balance or emission ratio approaches are uncertain due to variable NH 3 sources and sinks as well as unknown plume correlations with other dairy source tracers. We characterize the spatial distributions of NH 3 and methane (CH 4 ) dairy plumes using in situ surface and airborne measurements in the Tulare dairy feedlot region of the San Joaquin Valley, California, during the NASA Deriving Information on Surface conditions from Column and Vertically Resolved Observations Relevant to Air Quality 2013 field campaign. Surface NH 3 and CH 4 mixing ratios exhibit large variability with maxima localized downwind of individual dairy feedlots. The geometric mean NH 3 :CH 4 enhancement ratio derived from surface measurements is 0.15 ± 0.03 ppmv ppmv –1 . Individual dairy feedlots with spatially distinct NH 3 and CH 4 source pathways led to statistically significant correlations between NH 3 and CH 4 in 68% of the 69 downwind plumes sampled. At longer sampling distances, the NH 3 :CH 4 enhancement ratio decreases 20–30%, suggesting the potential for NH 3 deposition as a loss term for plumes within a few kilometers downwind of feedlots. Aircraft boundary layer transect measurements directly above surface mobile measurements in the dairy region show comparable gradients and geometric mean enhancement ratios within measurement uncertainties, even when including NH 3 partitioning to submicron particles. Individual NH 3 and CH 4 plumes sampled at close proximity where losses are minimal are not necessarily correlated due to lack of mixing and distinct source pathways. As a result, our analyses have important implications for constraining NH 3 sink and plume variability influences on regional NH 3 emission estimates and for improving NH 3 emission inventory spatial allocations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Characterized Variability of Biomass Feedstocks using The Idaho National Lab Bioenergy Feedstock Library

In order to achieve the Bioenergy Technology Office Goals of acquiring a billion tons of feedstock material that meets the physical, chemical, and cost requirements for conversion to fuel by 2030, research into understanding the overall causes of compositional, physical and conversion variability for the wide number of available biomass feedstock resources is necessary. One strategy for accomplishing this is the innovative knowledge-based management system currently being developed and maintained at Idaho National Laboratory (INL) known as the Bioenergy Feedstock Library (www.bioenergylibrary.inl.gov). The library currently has harvest, storage and logistic, analytical characterization, and/or conversion data for over 35,000 samples spanning 90 different feedstock types, 38 states, and 3 countries. These samples and data have been provided not only by the INL but from over 100 collaborating universities, feedstock supplier, national labs, and industrial partners. Of the 35,000 samples, 2300 have been characterized by one or more analytical processes including the compositional, proximate, ultimate, elemental ash, physical and conversion analyses. This presentation will demonstrate the significant research into the national understanding of biomass feedstock variability made possible by the continually updated contributions to the library that have historically only been available in the few published review papers regarding feedstock variability. Also, the benefits of contributing to this database, the analytical tools available, and the future prospects that this tool can provide research supporting sustainable and renewable energy will be presented.

09 BIOMASS FUELS↗
DOE OSTI2022

Sources and Variability of Nitrate on an Alaskan Hillslope Dominated by Alder Shrubs, Kougarok, Alaska, 2017 and 2018

Data provided include results of analyses of soil pore-water, soil moisture, and leaf litter samples collected at a Kougarok Hillslope site dominated by alder shrubs (KG_MM64) in the Seward Peninsula, Alaska during July and September 2017 and 2018. Samples were from surface soils in close proximity to 5 alder patches, collected upslope, within, and downslope of the alder patches. Pore water was analyzed for a comprehensive set of anions, cations, elemental analyses, and oxygen and nitrogen isotopes. Soil samples were collected for soil moisture determination. Leaf litter extracts were analyzed for carbon and nitrogen content and carbon and nitrogen isotopes. This dataset contains 3 *.csv files and 1 *.pdf file. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

RADIAL VELOCITY VARIABILITY OF FIELD BROWN DWARFS

We present paper six of the NIRSPEC Brown Dwarf Spectroscopic Survey, an analysis of multi-epoch, high-resolution (R ∼ 20,000) spectra of 25 field dwarf systems (3 late-type M dwarfs, 16 L dwarfs, and 6 T dwarfs) taken with the NIRSPEC infrared spectrograph at the W. M. Keck Observatory. With a radial velocity (RV) precision of ∼2 km s{sup −1}, we are sensitive to brown dwarf companions in orbits with periods of a few years or less given a mass ratio of 0.5 or greater. We do not detect any spectroscopic binary brown dwarfs in the sample. Given our target properties, and the frequency and cadence of observations, we use a Monte Carlo simulation to determine the detection probability of our sample. Even with a null detection result, our 1σ upper limit for very low mass binary frequency is 18%. Our targets included seven known, wide brown dwarf binary systems. No significant RV variability was measured in our multi-epoch observations of these systems, even for those pairs for which our data spanned a significant fraction of the orbital period. Specialized techniques are required to reach the high precisions sensitive to motion in orbits of very low-mass systems. For eight objects, including six T dwarfs, we present the first published high-resolution spectra, many with high signal to noise, that will provide valuable comparison data for models of brown dwarf atmospheres.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Probing the Origin of Changing-look Quasar Transitions with Chandra

Extremely variable quasars can also show strong changes in broad-line emission strength and are known as changing-look quasars (CLQs). To study the CLQ transition mechanism, we present a pilot sample of CLQs with X-ray observations in both the bright and faint states. From a sample of quasars with bright-state archival SDSS spectra and (Chandra or XMM-Newton) X-ray data, we identified five new CLQs via optical spectroscopic follow-up and then obtained new target-of-opportunity X-ray observations with Chandra. No strong absorption is detected in either the bright- or the faint-state X-ray spectra. The intrinsic X-ray flux generally changes along with the optical variability, and the X-ray power-law slope becomes harder in the faint state. Large-amplitude mid-infrared variability is detected in all five CLQs, and it echoes the variability in the optical with a time lag expected from the light-crossing time of the dusty torus for CLQs with robust lag measurements. The changing-obscuration model is not consistent with the observed X-ray spectra and spectral energy distribution changes seen in these CLQs. It is highly likely that the observed changes are due to the changing accretion rate of the supermassive black hole, so the multiwavelength emission varies accordingly, with promising analogies to the accretion states of X-ray binaries.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The evolution of the Milky Way’s thin disc radial metallicity gradient with K2 asteroseismic ages

ABSTRACT The radial metallicity distribution of the Milky Way’s disc is an important observational constraint for models of the formation and evolution of our Galaxy. It informs our understanding of the chemical enrichment of the Galactic disc and the dynamical processes therein, particularly radial migration. We investigate how the metallicity changes with guiding radius in the thin disc using a sample of red giant stars with robust astrometric, spectroscopic, and asteroseismic parameters. Our sample contains 668 stars with guiding radii 4 < Rg < 11 kpc and asteroseismic ages covering the whole history of the thin disc with precision ${\approx} 25 {{\, \rm per\ cent}}$. We use MCMC analysis to measure the gradient and its intrinsic spread in bins of age and construct a hierarchical Bayesian model to investigate the evolution of these parameters independently of the bins. We find a smooth evolution of the gradient from ≈−0.07 dex kpc−1 in the youngest stars to ≈−0.04 dex kpc−1 in stars older than 10 Gyr, with no break at intermediate ages. Our results are consistent with those based on asteroseismic ages from CoRoT, with that found in Cepheid variables for stars younger than 1 Gyr, and with open clusters for stars younger than 6 Gyr. For older stars we find a significantly lower metallicity in our sample than in the clusters, suggesting a survival bias favouring more metal-rich clusters. We also find that the chemical evolution model of Chiappini '09 is too metal poor in the early stages of disc formation. Our results provide strong new constraints for the growth and enrichment of the thin disc and radial migration, which will facilitate new tests of model conditions and physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Electron microscopy characterization of the fuel-cladding interaction in medium burnup annular fast reactor MOX

In this work, we present electron microscopy data focused on the fuel-cladding interaction layer in annular fast reactor MOX with HT-9 cladding at medium burnup. In agreement with previous literature data, the volatile fission products Cs, Te and I have migrated radially into the extreme fuel periphery and partially interacted with the cladding. The accumulation of Cs has occurred in the outermost rim of the fuel pellet, where grain recrystallization has also been observed. Significant amounts of Pd have been found in the interaction zone, particularly in the sample taken from the upper half of the fissile column where the cladding temperatures are higher. At this axial location, Cr has been enriched at the cladding inner surface and diffused into the fuel. Furthermore, chromium remains mainly in metallic form, but locally formed oxides. The fission products Cs, Te and I are found, with variable composition, in form of nanocrystalline regions dispersed in the metallic Cr-rich layer. The morphology and chemical characteristics of the layer suggest a non-oxidative corrosion mechanism as principal cladding degradation phenomenon occurring in this sample, with local onset of Cr oxidation within the nanocrystalline precipitates.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Geological Carbon Sequestration Storage Resource Estimates for the Ordovician St. Peter Sandstone, Illinois and Michigan Basins, USA

The Cambro-Ordovician strata of the Midwest of the United States is a primary target for potential geological storage of CO2 in deep saline formations. The objective of this project is to develop a comprehensive evaluation of the Cambro-Ordovician strata in the Illinois and Michigan Basins above the basal Mount Simon Sandstone since the Mount Simon is the subject of other investigations including a demonstration-scale injection at the Illinois Basin Decatur Project. The primary reservoir targets investigated in this study are the middle Ordovician St Peter Sandstone and the late Cambrian to early Ordovician Knox Group carbonates. The topic of this report is a regional-scale evaluation of the geologic storage resource potential of the St Peter Sandstone in both the Illinois and Michigan Basins. Multiple deterministic-based approaches were used in conjunction with the probabilistic-based storage efficiency factors published in the DOE methodology to estimate the carbon storage resource of the formation. Extensive data sets of core analyses and wireline logs were compiled to develop the necessary inputs for volumetric calculations. Results demonstrate how the range in uncertainty of storage resource estimates varies as a function of data availability and quality, and the underlying assumptions used in the different approaches. In the simplest approach, storage resource estimates were calculated from mapping the gross thickness of the formation and applying a single estimate of the effective mean porosity of the formation. Results from this approach led to storage resource estimates ranging from 3.3 to 35.1 Gt in the Michigan Basin, and 1.0 to 11.0 Gt in the Illinois Basin at the P10 and P90 probability level, respectively. The second approach involved consideration of the diagenetic history of the formation throughout the two basins and used depth-dependent functions of porosity to derive a more realistic spatially variable model of porosity rather than applying a single estimate of porosity throughout the entire potential reservoir domains. The second approach resulted in storage resource estimates of 3.0 to 31.6 Gt in the Michigan Basin, and 0.6 to 6.1 Gt in the Illinois Basin. The third approach attempted to account for the local-scale variability in reservoir quality as a function of both porosity and permeability by using core and log analyses to calculate explicitly the net effective porosity at multiple well locations, and interpolate those results throughout the two basins. This approach resulted in storage resource estimates of 10.7 to 34.7 Gt in the Michigan Basin, and 11.2 to 36.4 Gt in the Illinois Basin. A final approach used advanced reservoir characterization as the most sophisticated means to estimating storage resource by defining reservoir properties for multiple facies within the St Peter formation. This approach was limited to the Michigan Basin since the Illinois Basin data set did not have the requisite level of data quality and sampling density to support such an analysis. Results from this approach led to storage resource estimates of 15.4 Gt to 50.1 Gt for the Michigan Basin. The observed variability in results from the four different approaches is evaluated in the context of data and methodological constraints, leading to the conclusion that the storage resource estimates from the first two approaches may be conservative, whereas the net porosity based approaches may over-estimate the resource.

Barnes, David↗
DOE OSTI2020

The ongoing need for high-resolution regional climate models: Process understanding and stakeholder information

Regional climate modeling addresses our need to understand and simulate climatic processes and phenomena unresolved in global models. High resolution models are generally more skillful in simulating extremes, such as heavy precipitation, strong winds, and severe storms. In addition, research has shown that fine-scale features such as mountains, coastlines, lakes, irrigation, land use, and urban heat islands can substantially influence a region’s climate and its response to changing forcings. Regional climate simulations explicitly simulating convection are now being performed, providing an opportunity to illuminate new physical behavior that previously was represented by parameterizations with large uncertainties. Regional and global models are both advancing toward higher resolution, as computational capacity increases. However, the resolution and ensemble size necessary to produce a sufficient statistical sample of these processes in global models has proven too costly for contemporary supercomputing systems. Regional climate models are thus indispensable tools that complement global models for understanding regional climate variability and change, and are critical for supporting societal responses to changing climate.

Gutowski, William↗
DOE OSTI2017

The Influence of Microstructure on Deuterium Retention in Polycrystalline Tungsten

The retention of hydrogen isotopes in the plasma-facing materials of a fusion reactor is dependent on the density of trapping sites in the material. One factor that can influence the trapping defects is the surface state of the material before exposure. Mechanically polished, electropolished, and recrystallized tungsten samples were compared by exposing them to 350 eV D + beams with peak fluences of ~1 × 10 24 D + /m 2 at 500 and 740 K at the Multicharged Ion Research Facility (MIRF). At the exposure temperature of 740 K, no significant retention was detected. For material exposed at 500 K, significant differences in retention were observed, and the order of increasing retention was recrystallized, electropolished, and mechanically polished. Lastly, the other variable besides surface treatment was the time delay between ion exposure and thermal desorption spectroscopy which also may have impacted the retention measurements if there was out-gassing of the D while samples were in storage before thermal desorption spectroscopy (TDS).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Temporal Study 2022-2024: Sensor-Based Time Series of Surface Water Temperature, Specific Conductance, Total Dissolved Solids, Turbidity, Chlorophyll A, and Dissolved Oxygen from across Multiple Watersheds in the Yakima River Basin in Washington, USA

This dataset supports a broader study examining the drivers of temporal variability in sediment respiration rates in the Yakima River Basin. The dataset provides periodic (bi-weekly or monthly) in situ hydrological and water chemistry sensor data, handheld sensor water chemistry data, general environmental context photos, and field metadata collected at six sites across the Yakima River Basin in Washington, USA. Sample and sensor data from previous years (2021-2022) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1898912 and https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1892054, respectively. Related sample data from 2022-2024 are available at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/2562910. For details on how to navigate data packages generated by this project, see https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About. In addition to a readme, this data package also includes a file-level metadata (FLMD) file that describes each file and a data dictionary (DD) that describes all column/row headers and variable definitions This dataset contains a folder of environmental context photographs and videos and (1) file-level metadata; (2) data dictionary; (3) readme; (4) field metadata; (5) field protocols; (6) international generic sample number (IGSN) mapping file; (7) handheld sensor data; and (8) two sensor subfolders. Each sensor subfolder (BarotrollAtm and MantaRiverData) contains a subfolder containing sensor time series data and plots. The BarotrollAtm Data subfolder contains In Situ Rugged BaroTROLL sensor pressure and air temperature data. The MantaRiverData subfolder contains Eureka Manta+ 35B multisonde temperature, specific conductance, and chlorophyll A. All files are .csv, .pdf, .jpg, .jpeg, .mp4, .png, or .mov.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Searches for physics beyond the standard model with the M T2 variable in hadronic final states with and without disappearing tracks in proton–proton collisions at $\sqrt{s}$ = 13 TeV

Two related searches for phenomena beyond the standard model (BSM) are performed using events with hadronic jets and significant transverse momentum imbalance. The results are based on a sample of proton-proton collisions at a center-of-mass energy of 13 TeV, collected by the CMS experiment at the LHC in 2016-2018 and corresponding to an integrated luminosity of 137 fb$^{-1}$. The first search is inclusive, based on signal regions defined by the hadronic energy in the event, the jet multiplicity, the number of jets identified as originating from bottom quarks, and the value of the kinematic variable $M_\mathrm{T2}$ for events with at least two jets. For events with exactly one jet, the transverse momentum of the jet is used instead. The second search looks in addition for disappearing tracks produced by BSM long-lived charged particles that decay within the volume of the tracking detector. No excess event yield is observed above the predicted standard model background. This is used to constrain a range of BSM models that predict the following: the pair production of gluinos and squarks in the context of supersymmetry models conserving $R$-parity, with or without intermediate long-lived charginos produced in the decay chain; the resonant production of a colored scalar state decaying to a massive Dirac fermion and a quark; or the pair production of scalar and vector leptoquarks each decaying to a neutrino and a top, bottom, or light-flavor quark. In most of the cases, the results obtained are the most stringent constraints to date.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Spatio-temporal microbial community dynamics within soil aggregates

Soil microbial communities are highly spatially organized, shaped in part by the structure of soil itself. Understanding how spatially discrete microbial communities change across years and seasons in response to environmental factors, plant phenology and aggregate turnover, is key to understanding how varying management practices impact the ecology of soil microbial communities. We investigated both seasonal (within year) and annual (across sampling years) changes of discrete microbial communities in soil aggregate fractions, large macroaggregates (LM) and microaggregates (MICRO) in three different bioenergy management systems. We hypothesized that 1) seasonal changes due to plant phenology and aggregate turnover will be most pronounced within the MICRO aggregate soil microbial community; 2) inter-annual variability will lead to changes in microbial diversity across aggregate sizes and the magnitude of change will be mediated by management regime. We found that LM and MICRO aggregates have unique microbial communities within soil. MICRO aggregate microbial communities are more diverse and change more dynamically across the sampling season, peaking in diversity at peak plant growth and maximum biomass. The number of families indicative of specific MICRO aggregate habitats increases over the growing season for both bacteria (from 3 to 51) and fungi (from 8 to 14). The LM aggregates harbored less diverse, yet more stable, communities within a growing season. By contrast, between years the LM aggregates were the most responsive to inter-annual variability. Our study demonstrates the importance of including the spatio-temporal dynamics of soil microbes. We identified “hot spots” of microbial diversity within soil, with a greater diversity of microbes found under prairies, within the MICRO aggregates, and seasonally during peak plant biomass. Targeted analysis of the MICRO aggregates can contribute to deeper understanding of potential diversity and functioning of soil microbial communities for ecosystem maintenance as well as the response to climatic events and environmental change.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Topological insulator thin films starting from the amorphous phase-Bi{sub 2}Se{sub 3} as example

We present a new method to obtain topological insulator Bi{sub 2}Se{sub 3} thin films with a centimeter large lateral length. To produce amorphous Bi{sub 2}Se{sub 3} thin films, we have used a sequential flash-evaporation method at room temperature. Transmission electron microscopy has been used to verify that the prepared samples are in a pure amorphous state. During annealing, the samples transform into the rhombohedral Bi{sub 2}Se{sub 3} crystalline structure which was confirmed using X-ray diffraction and Raman spectroscopy. Resistance measurements of the amorphous films show the expected Mott variable range hopping conduction process with a high specific resistance compared to the one obtained in the crystalline phase (metallic behavior). We have measured the magnetoresistance and the Hall effect at different temperatures between 2 K and 275 K. At temperatures T ≲ 50 K and fields B ≲ 1 T, we observe weak anti-localization in the MR; the Hall measurements confirm the n-type character of the samples. All experimental results of our films are in quantitative agreement with results from samples prepared using more sophisticated methods.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Microbial Community Functional Structures in Wastewater Treatment Plants as Characterized by GeoChip

Background: Biological WWTPs must be functionally stable to continuously and steadily remove contaminants which rely upon the activity of complex microbial communities. However, knowledge is still lacking in regard to microbial community functional structures and their linkages to environmental variables. Aims: To investigate microbial community functional structures of activated sludge in wastewater treatment plants (WWTPs) and to understand the effects of environmental factors on their structure. Methods: 12 activated sludge samples were collected from four WWTPs in Beijing. A comprehensive functional gene array named GeoChip 4.2 was used to determine the microbial functional genes involved in a variety of biogeochemical processes such as carbon, nitrogen, phosphorous and sulfur cycles, metal resistance, antibiotic resistance and organic contaminant degradation. Results: High similarities of the microbial community functional structures were found among activated sludge samples from the four WWTPs, as shown by both diversity indices and the overlapped genes. For individual gene category, such as egl, amyA, lip, nirS, nirK, nosZ, ureC, ppx, ppk, aprA, dsrA, sox and benAB, there were a number of microorganisms shared by all 12 samples. Canonical correspondence analysis (CCA) showed that the microbial functional patterns were highly correlated with water temperature, dissolved oxygen (DO), ammonia concentrations and loading rate of chemical oxygen demand (COD). Based on the variance partitioning analyses (VPA), a total of 53% of microbial community variation from GeoChip data can be explained by wastewater characteristics (25%) and operational parameters (23%), respectively. Conclusions: This study provided an overall picture of microbial community functional structures of activated sludge in WWTPs and discerned the linkages between microbial communities and environmental variables in WWTPs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Revealing the complex chemistry of grain boundaries in K-doped BaFe 2 As 2 with atom probe tomography

Iron-based superconductors have attractive properties for high-field applications, but there is a lack of understanding of the effect of grain boundary chemistry on the in-field performance. The near atomic-scale resolution, ppm sensitivity and 3D analysis offered by atom probe tomography make it a powerful tool to investigate the nanoscale structure and chemistry of these defects in fine-grained K-doped BaFe 2 As 2 samples. A computational method to systematically extract and compare the Gibbsian interfacial excess of chemical species across grain boundaries has been explored in this work. The robustness of the method has been tested by evaluating the effects of selected variables on simulated APT datasets. The accuracy and precision of the calculated Gibbsian interfacial excess were found to be stable over a range of analysis conditions: varying grain boundary widths and detection efficiencies, spatial precisions below 1.5 nm, and bin widths between 1.2 and 1.6 nm. For the K-doped BaFe 2 As 2 samples studied, segregation of As, Ba, K and impurities of O, Na, and Sb were found at grain boundaries. The Gibbsian excess values were found to vary widely between different boundaries, showing the complexity of the grain boundary chemistry in this material. Possible links between the observed critical current density (Jc) of these samples and their nano- and micro-structure have also been investigated and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Sensitivity of Simulated Deep Convection to a Stochastic Ice Microphysics Framework

Ice microphysics parameterizations in models must make major simplifications relative to observations, typically employing empirical relationships to represent average functional properties of particles. However, previous studies have established that ice particle properties vary even in similar cloud types and thermodynamic environments, and it remains unclear how this so-called “natural variability” impacts simulated deep convection. This uncertainty is addressed by implementing a stochastic framework into the Predicted Particle Properties microphysics scheme in the Weather Research and Forecasting model. The approach stochastically varies the coefficients of the mass-size (m-D) relationship (m=aD b ) for unrimed and partially rimed ice. Using guidance from aircraft in situ measurements obtained during the Midlatitude Continental Convective Clouds Experiment (MC3E), the scheme samples from distributions of the prefactor (a) and the exponent (b) of the m-D relationship. Simulations of two MC3E deep convective cases indicate that the stochastic m-D scheme produces considerable variability of anvil cirrus cloud optical depth (τ) distributions, even for the same ice water path (IWP). Thus, the stochastic scheme produces variable cloud radiative forcing that is independent of IWP. This τ-IWP relationship variability is nonexistent using the deterministic m-D ensemble. Additional sensitivity tests are performed in which the fallspeed-size relationship (V=cD d ) is stochastically varied, resulting in variable precipitation amounts and rain rate distributions. Results are presented in the context of satellite and precipitation observations and include comparison with other ensemble configurations using perturbed initial and lateral boundary conditions and small-amplitude noise added to the potential temperature field.

54 ENVIRONMENTAL SCIENCES↗