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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Pressure/temperature fluid cell apparatus for the neutron powder diffractometer instrument: Probing atomic structure in situ

This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO 2 measurements. As a result, the new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO 2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H 2 and natural gas uptake/storage.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Controlling magnetic configuration in soft–hard bilayers probed by polarized neutron reflectometry

Hard/soft magnetic bilayer thin films have been widely used in data storage technologies and permanent magnet applications. The magnetic configuration and response to temperatures and magnetic fields in these heterostructures are considered to be highly dependent on the interfacial coupling. However, the intrinsic properties of each of the layers, such as the saturation magnetization and layer thickness, also strongly influence the magnetic configuration. Changing these parameters provides an effective method to tailor magnetic properties in composite magnets. Here, we use polarized neutron reflectometry (PNR) to experimentally probe the interfacial magnetic configurations in the hard/soft bilayer thin films: L1 0 -FePt/A1-FePt, [Co/Pd]/CoPd, [Co/Pt]/FeNi, and L1 0 -FePt/Fe, all of which have a perpendicular magnetic anisotropy in the hard layer. These films were designed with different soft and hard layer thicknesses (t soft and t hard ) and saturation magnetization (M$_s^{soft}$ and M$_s^{hard}$). The influences of an in-plane magnetic field (H ip ) and temperature (T) are also studied using a L1 0 -FePt/A1-FePt bilayer sample. Comparing the PNR results to the micromagnetic simulations reveals that the interfacial magnetic configuration is highly dependent on t soft , M$_s^{soft}, and the external factors (H ip and T) and has a relatively weak dependence on t hard and M$_s^{hard}$. Key among these results, for thin t soft , the hard and soft layers are rigidly coupled in the out-of-plane direction and then undergo a transition to relax in-plane. This transition can be delayed to larger t soft by decreasing M$_s^{soft}$. Understanding the influence of these parameters on the magnetic configuration is critical to designing functional composite magnets for applications.

36 MATERIALS SCIENCE↗
NASA NTRS1974

In-situ measurement of the rate of U-235 fission induced by lunar neutrons

The depth profile of the neutron-induced fission rate of U-235 was directly measured to a depth of 350 g/sq cm by the Apollo 17 Lunar Neutron Probe Experiment. The fission rate rises sharply from the surface to a broad maximum from 110 to 160 g/sq cm and drops off at greater depths. The shape of the theoretical depth profile of Lingenfelter et al (1972) fits the measured capture rates well at all depths. The absolute magnitude of the experimental fission rates are (11 plus or minus 17)% lower than those calculated theoretically. The excellent agreement between theory and experiment implies that conclusions drawn previously by interpreting lunar sample data with the theoretical capture rates will not require revision. In particular, lunar surface processes, rather than uncertainties in the capture rates, are required to explain the relatively low neutron fluences observed for surface soil samples compared to the fluences expected for a uniformly mixed regolith.

Woolum, D. S.↗
DOE OSTI2024

Elucidating Structural Disorder in Ultra‐Thin Bi‐Rich Bismuth Oxyhalide Photocatalysts

Abstract Advancing the field of photocatalysis requires the elucidation of structural properties that underpin the photocatalytic properties of promising materials. The focus of the present study is layered, Bi‐rich bismuth oxyhalides, which are widely studied for photocatalytic applications yet poorly structurally understood, due to high levels of disorder, nano‐sized domains, and the large number of structurally similar compounds. By connecting insights from multiple scattering techniques, utilizing electron‐, X‐ray‐ and neutron probes, the crystal phase of the synthesized materials is allocated as layered Bi 24 O 31 X 10 (X = Cl, Br), albeit with significant deviation from the reported 3D crystalline model. The materials comprise anisotropic platelet‐shaped crystalline domains, exhibiting significant in‐plane ordering in two dimensions but disorder and an ultra‐thin morphology in the layer stacking direction. Increased synthesis pH tailored larger, more ordered crystalline domains, leading to longer excited state lifetimes determined via femtosecond transient absorption spectroscopy (fs‐TAS). Although this likely contributes to improved photocatalytic properties, assessed via the photooxidation of benzylamine, increasing the overall surface area facilitated the most significant improvement in photocatalytic performance. This study, therefore, enabled both phase allocation and a nuanced discussion of the structure‐property relationship for complicated, ultra‐thin photocatalysts.

Chemistry↗
DOE OSTI2019

In-Situ Grain Resolved Stress Characterization During Damage Initiation in Cu-10%W Alloy

The evolution of stress during damage initiation and accumulation in a two-phase alloy consisting of a ductile copper (Cu) matrix with a randomly dispersed brittle tungsten (W) phase was studied using multiple non-destructive experimental probes. Neutron diffraction measurements were performed to examine the macroscopic strain partitioning between the two phases during a uniaxial tension test. The same material was then examined with high-energy x-ray diffraction microscopy (HEDM) and micro-computed tomography (μ-CT) measurements to monitor micromechanical field evolution. The neutron diffraction data indicated a redistribution of load between the Cu and W phases as deformation proceeds. Therefore, using HEDM to monitor individual grain micromechanical behavior, an increase followed by decrease in hydrostatic stress and a similar stress triaxiality behavior were found to occur in a subset of W grains. These same W grains were found to be in close proximity to voids observed via tomography at later stages of deformation. From these observations, we conclude that high stress triaxiality development in the W particles leads to decohesion of the interface between the Cu and W phases. The debonded regions eventually grew and coalesced with neighboring voids leading to material failure.

36 MATERIALS SCIENCE↗
DOE OSTI2013

From fluorite to pyrochlore: Characterisation of local and average structure of neodymium zirconate, Nd{sub 2}Zr{sub 2}O{sub 7}

The structural characterisation of Nd{sub 2}Zr{sub 2}O{sub 7} prepared via a precursor route was performed using a combination of local and average structure probes (neutron total scattering, X-ray and neutron diffraction). We present the first total scattering and reverse Monte Carlo (RMC) modelling study of Nd{sub 2}Zr{sub 2}O{sub 7}, which provides compelling evidence for the adoption of a disordered fluorite-type structure by Nd{sub 2}Zr{sub 2}O{sub 7} prepared by a low-temperature precursor route. Annealing the material at high temperatures leads to a transformation to a pyrochlore-type structure; however, Rietveld refinement using powder neutron diffraction data shows that the oxygen sublattice retains a degree of disorder. - Graphical abstract: Display Omitted - Highlights: • The first total scattering and RMC modelling study of Nd{sub 2}Zr{sub 2}O{sub 7}. • Demonstration that the synthetic route influences the crystal structure adopted. • Insight into the importance of total scattering in studies of complex superstructures, especially for nano-sized materials.

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

Ab Initio Molecular Dynamics Simulations of Amorphous Calcium Carbonate: Interpretation of Pair Distribution Function and X-Ray Absorption Spectroscopy Data

The structure and transformation of hydrous amorphous calcium carbonate (ACC) are key to understanding biomineralization pathways and their relationship with the properties of the resulting material. Quantitative interpretation of scattering experiments aimed at elucidating the structure of ACC is challenging, due to the amorphous nature of this material, and, therefore, requires models for the structure and the scattering physics. Here, we generate physically realistic ensembles of hydrated ACC structures and their vibrational disorder from ab initio molecular dynamics (AIMD) simulations with an emphasis on enabling the consistent interpretation of the finer details of three complementary structural probes: neutron and x-ray pair distribution experiments and x-ray absorption spectroscopy (XAS). In each case, we simulate the signal directly in reciprocal space and then manipulate it into the real-space pair distribution function (PDF) or spectrum using the same procedures for the experimental and theoretical data. Good agreement with experiment was obtained across the three techniques with the simulations accounting well for all features in the spectra. Remaining small discrepancies pointed to differences between real samples and the idealized simulated systems such as deviations from the nominal CaCO3·nH2O stoichiometry. Additionally, the simulations offered a more accurate description of the local coordination environment of calcium than previous shell-by-shell fits to spectra of synthetic ACC and classical molecular dynamics simulations. This work demonstrates that AIMD is a powerful approach for extracting detailed structural information from neutron PDF, x-ray PDF, and XAS of amorphous carbonate phases.

Prange, Micah P.↗
DOE OSTI2018

Benchmarking Geant4 for simulating galactic cosmic ray interactions within planetary bodies

Galactic cosmic rays undergo complex nuclear interactions with nuclei within planetary bodies that have little to no atmosphere. Radiation transport simulations are a key tool used in understanding the neutron and gamma-ray albedo coming from these interactions and tracing these signals back to geochemical composition of the target. In this paper, we study the validity of the code Geant4 for simulating such interactions by comparing simulation results to data from the Apollo 17 Lunar Neutron Probe Experiment. Different assumptions regarding the physics are explored to demonstrate how these impact the Geant4 simulation results. In general, all of the Geant4 results over-predict the data, however, certain physics lists perform better than others. Finally, in addition, we show that results from the radiation transport code MCNP6 are similar to those obtained using Geant4.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

The Relationship Between Topography, Bedrock Weathering, and Water Storage Across a Sequence of Ridges and Valleys

Abstract Bedrock weathering regulates nutrient mobilization, water storage, and soil production. Relative to the mobile soil layer, little is known about the relationship between topography and bedrock weathering. Here, we identify a common pattern of weathering and water storage across a sequence of three ridges and valleys in the sedimentary Great Valley Sequence in Northern California that share a tectonic and climate history. Deep drilling, downhole logging, and characterization of chemistry and porosity reveal two weathering fronts. The shallower front is ∼7 m deep at the ridge of all three hillslopes, and marks the extent of pervasive fracturing and oxidation of pyrite and organic carbon. A deeper weathering front marks the extent of open fractures and discoloration. This front is 11 m deep under two ridges of similar ridge‐valley spacing, but 17.5 m deep under a ridge with nearly twice the ridge‐valley spacing. Hence, at ridge tops, the fraction of the hillslope relief that is weathered scales with hillslope length. In all three hillslopes, below this second weathering front, closed fractures and unweathered bedrock extend about one‐half the hilltop elevation above the adjacent channels. Neutron probe surveys reveal that seasonally dynamic moisture is stored to approximately the same depth as the shallow weathering front. Under the channels that bound our study hillslopes, the two weathering fronts coincide and occur within centimeters of the ground surface. Our findings provide evidence for feedbacks between erosion and weathering in mountainous landscapes that result in systematic subsurface structuring and water routing.

58 GEOSCIENCES↗
DOE OSTI2020

Soil Water Content (m3 m-3) from Australia, May 2014 - March 2017

Hourly data processed to monthly. Data collected from Cosmic Neutron Probes at variable depth averaging 28 cm that was interpolated to near-surface (0-10 cm). Site located at latitude -17.12 deg N, longitude 145.63 deg E. Data was downloaded from COSMOS data portal and is publicly available. Data from this site is referenced as Australia (1) in Table 1 and Figure 4 of Solander et al., 2020, The pan-tropical soil moisture response to El Nino, Hydrol. Earth Syst. Sci., in press.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Soil Water Content (m3 m-3) from Australia, June 2011 - December 2016

Hourly data processed to monthly. Data collected from Cosmic Neutron Probes at variable depth averaging 38 cm that was interpolated to near-surface (0-10 cm). Site located at latitude -14.16 deg N, longitude 131.39 deg E. Data was downloaded from the The COsmic-ray Soil Moisture Observing System (COSMOS) soil moisture data network and is publicly available. Data from this site located at, referenced as Australia (2) in Table 1 and Figure 4 of Solander et al., 2020, The pan-tropical soil moisture response to El Nino, Hydrol. Earth Syst. Sci., in press.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Soil Water Content (m3 m-3), October 2011 - May 2017

Hourly data processed to monthly. Data collected from Cosmic Neutron Probes at variable depth averaging 15 cm that was interpolated to near-surface (0-10 cm). Site located at latitude 0.28 deg N, longitude 36.87 deg E. Data was downloaded from the The COsmic-ray Soil Moisture Observing System (COSMOS) soil moisture data network and is publicly available. Data was made available by the COsmic-ray Soil Moisture Observing SysteM (COSMOS). Data from this site is referenced as Kenya in Table 1 and Figure 4 of Solander et al., 2020, The pan-tropical soil moisture response to El Nino, Hydrol. Earth Syst. Sci., in press.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

Moisture Monitoring at Area G, Technical Area 54, Los Alamos National Laboratory

Hydrological characterization and moisture monitoring activities provide data required for evaluating the transport of subsurface contaminants in the unsaturated and saturated zones beneath Area G, and for the Area G Performance Assessment and Composite Analysis. These activities have been ongoing at Area G, Technical Area 54 of the Los Alamos National Laboratory since waste disposal operations began in 1957. This report summarizes the hydrological characterization and moisture monitoring activities conducted at Area G. It includes moisture monitoring data collected from 1986 through 2014 from numerous boreholes and access tubes with neutron moisture meters, as well as data collected by automated dataloggers for water content measurement sensors installed in a waste disposal pit cover, and buried beneath the floor of a waste disposal pit. This report is an update of the Jennings and French (2009) moisture monitoring report and includes all data from Jennings and French (2009) and the Draft 2010 Addendum moisture monitoring report (Jennings and French, 2010). For this updated report, all neutron logging data, including neutron probe calibrations, were investigated for quality and pedigree. Some data have been recalculated using more defensible calibration data. Therefore, some water content profiles are different from those in the Jennings and French (2009) report. Monitoring and characterization data generally indicate that some areas of the Area G vadose zone are consistent with undisturbed conditions, with water contents of less than five percent by volume in the top two layers of the Bandelier tuff at Area G. These data also indicate that other areas of the vadose zone are affected by waste disposal activities that have been ongoing at Area G since 1957, a period of nearly 60 years. In some areas, water content profiles indicate increases in water content to depths of tens of meters, especially in areas covered by asphalt and structures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Moisture Monitoring at Area G, Technical Area 54, Los Alamos National Laboratory, 2016 Status Report

Hydrological characterization and moisture monitoring activities provide data required for evaluating the transport of subsurface contaminants in the unsaturated and saturated zones beneath Area G, and for the Area G Performance Assessment and Composite Analysis. These activities have been ongoing at Area G, Technical Area 54 of the Los Alamos National Laboratory since waste disposal operations began in 1957. This report summarizes the hydrological characterization and moisture monitoring activities conducted at Area G. It includes moisture monitoring data collected from 1986 through 2016 from numerous boreholes and access tubes with neutron moisture meters, as well as data collected by automated dataloggers for water content measurement sensors installed in a waste disposal pit cover, and buried beneath the floor of a waste disposal pit. This report is an update of a nearly identical report by Levitt et al., (2015) that summarized data collected through early 2015; this report includes additional moisture monitoring data collected at Pit 31 and the Pit 38 extension through December, 2016. It also includes information from the Jennings and French (2009) moisture monitoring report and includes all data from Jennings and French (2009) and the Draft 2010 Addendum moisture monitoring report (Jennings and French, 2010). For the 2015 version of this report, all neutron logging data, including neutron probe calibrations, were investigated for quality and pedigree. Some data were recalculated using more defensible calibration data. Therefore, some water content profiles are different from those in the Jennings and French (2009) report. All of that information is repeated in this report for completeness. Monitoring and characterization data generally indicate that some areas of the Area G vadose zone are consistent with undisturbed conditions, with water contents of less than five percent by volume in the top two layers of the Bandelier tuff at Area G. These data also indicate that other areas of the vadose zone are affected by waste disposal activities that have been ongoing at Area G since 1957, a period of nearly 60 years. In some areas, water content profiles indicate increases in water content to depths of tens of meters, especially in areas covered by asphalt and structures.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Deep Vadose Zone Monitoring Test Bed (FY23 Status Report)

A subsurface air injection at the Hanford Site’s Deep Vadose Zone Monitoring Test Bed was completed to realize a change in subsurface hydrologic conditions in accordance with a soil desiccation remedy. The injection mimicked a previous injection at the site that was performed in accordance with a vadose zone treatability study. Unlike the previous test which relied on electrical methods only, the change in hydrologic conditions during the recent test was also monitored using cross-hole seismic sensing methods to assess the ability of the seismic methods to evaluate changes in moisture conditions of desiccated sediment at the field scale. Data from in situ neutron probes indicates a reduction of soil moisture in the vicinity of the injection well due to the air injection. Similar changes were observed in the time-lapse electrical resistivity and seismic data, which indicates a loss of soil moisture over time. Tomographic inversions of the time-lapse geophysical data illustrate the 2D and 3D features of the soil moisture distribution over time. Time-lapse electrical resistivity tomography (ERT) results show a reduction in the electrical conductivity of the subsurface in the vicinity of the injection well, with most changes occurring within the screened interval. Similar patterns are observed in the seismic tomography results, with both methods illustrating two lobe-shaped features of reduced soil moisture. Use of seismic and ERT technologies in tandem takes advantage of two complementary geophysical monitoring technologies, providing increased sensitivity to specific hydrologic conditions. The multiphysics approach, therefore, has the potential to improve the ability to estimate subsurface moisture conditions from sensor-based and remotely sensed geophysical data that will ultimately improve the ability of remediation contractors to evaluate remedy performance.

58 GEOSCIENCES↗
DOE OSTI2025

Prototype Hanford Barrier Performance Monitoring Report: Fiscal Year 2024

This report provides an annual update on performance monitoring of the Prototype Hanford Barrier (PHB) at the Hanford Site. The PHB is part of a long-term study that serves as the scientific basis for many of the evapotranspiration-capillary barrier designs currently used globally and for future engineered barrier designs planned for remedial actions over waste and demolition sites at the Hanford Site. The PHB allows us to identify potential future issues and develop better monitoring techniques before these engineered barriers are constructed. Surface barriers like the PHB are essential for preventing water infiltration and curbing the spread of contaminants to groundwater. Effective monitoring of soil moisture levels above and below these barriers is crucial given that performance metrics could span up to 1,000 years. From July 2023 to June 2024, the water flux (as measured by tipping buckets) through the 2-m-thick silt loam layer of the PHB – a fine silty material that stores water under high capillary tension – remained well below the 0.5-mm-per-year performance threshold, demonstrating its effectiveness in preventing water penetration. In 2024, degraded tipping bucket gauges were replaced to ensure the accuracy of future data. Additionally, neutron probes revealed that the wetting front from the rainy season only penetrated to a maximum depth of 1.2 m into the silt loam. This further demonstrated the barrier's efficiency, as the wetting front did not fully penetrate the 2-m-thick capillary barrier. The western gravel slope of the PHB, composed of Hanford Site pit gravel of varying sizes, demonstrated low flux rates. In contrast, the eastern riprap slope exhibited higher flux rates. Zhang (2017) found that the riprap side slope of the PHB had the highest drainage rates in January and the lowest in late summer or early fall, indicating significant summer evaporation. Drainage rates increased significantly under enhanced precipitation conditions, far exceeding the design criterion, which could lead to water infiltration into the waste zone. The study introduced the “edge effect,” where elevated drainage rates from the riprap may migrate laterally beneath the barrier, compromising its ability to isolate waste, and recommended expanding the barrier and conducting further research to mitigate this issue. This report provides a review on surface barrier edge effects and their potential impact to subsurface contaminant migration.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1984

Data documentation for the bare soil experiment at the University of Arkansas, June - August 1980

The primary objective of this study is to evaluate the relationships between soil moisture and reflectivity of a bare soil, using microwave techniques. A drainage experiment was conducted on a Captina silt loam in cooperation with personnel in the Electrical Engineering Department. Measurements included soil moisture pressures at various depths, neutron probe measurements, gravimetric moisture samples, and reflectivity of the soil surface at selected frequencies including 1.5 and 6.0 GHz and at the incident angle of 45 deg. All measurements were made in conjuction with that of reflectivity data.

Sadeghi, A. M.↗
NASA NTRS2000

BOREAS HYD-1 Volumetric Soil Moisture Data

The Boreal Ecosystem-Atmosphere Study (BOREAS) Hydrology (HYD)-1 team made measurements of volumetric soil moisture at the Southern Study Area (SSA) and Northern Study Area (NSA) tower flux sites in 1994 and at selected tower flux sites in 1995-97. Different methods were used to collect these measurements, including neutron probe and manual and automated Time Domain Reflectometry (TDR). In 1994, the measurements were made every other day at the NSA-OJP (Old Jack Pine), NSA-YJP (Young Jack Pine), NSA-OBS (Old Black Spruce), NSA-Fen, SSA-OJP, SSA-YJP, SSA-Fen, SSA-YA (Young Aspen), and SSA-OBS sites. In 1995-97, when automated equipment was deployed at NSA-OJP, NSA-YJP, NSA-OBS, SSA-OBS, and SSA-OA (Old Aspen), the measurements were made as often as every hour. The data are stored in tabular ASCII files. The volumetric soil moisture data are available from the Earth Observing System Data and Information System (EOSDIS) Oak Ridge National Laboratory (ORNL) Distributed Active Archive Center (DAAC). The data files are available on a CD-ROM (see document number 20010000884).

Cuenca, Richard H.↗