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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS2002

A Model for Tetragonal Lysozyme Crystal Nucleation and Growth

Macromolecular crystallization is a complex process, involving a system that typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only a few contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be difficult or impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric (single chain) macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. This model has been developed from experimental evidence based upon face growth rate, AFM, and fluorescence energy transfer data for the nucleation and growth of tetragonal lysozyme crystals.

Pusey, Marc L.↗
DOE OSTI2022

Diamond formation kinetics in shock-compressed C$-$H$-$O samples recorded by small-angle x-ray scattering and x-ray diffraction

Extreme conditions inside ice giants such as Uranus and Neptune can result in peculiar chemistry and structural transitions, e.g., the precipitation of diamonds or superionic water, as so far experimentally observed only for pure C$-$H and H 2 O systems, respectively. Here, we investigate a stoichiometric mixture of C and H 2 O by shock-compressing polyethylene terephthalate (PET) plastics and performing in situ x-ray probing. We observe diamond formation at pressures between 72 ± 7 and 125 ± 13 GPa at temperatures ranging from ~3500 to ~6000 K. Combining x-ray diffraction and small-angle x-ray scattering, we access the kinetics of this exotic reaction. The observed demixing of C and H 2 O suggests that diamond precipitation inside the ice giants is enhanced by oxygen, which can lead to isolated water and thus the formation of superionic structures relevant to the planets’ magnetic fields. Moreover, our measurements indicate a way of producing nanodiamonds by simple laser-driven shock compression of cheap PET plastics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2001

A Model for Macromolecular Crystallization

Macromolecular crystallization is a complex process. involving a system which typically has 5 or more components (macromolecule, water, buffer + counter ion, and precipitant). Whereas small molecules have only several well defined contacts in the crystal lattice, macromolecules generally have 10's or even 100's of contacts between molecules. These can range from hydrogen bonds (direct or water-mediated), through van der Waals, hydrophobic, salt bridges, and ion-mediated contacts. The latter interactions are stronger and require some specificity in the molecular alignment, while the others are weaker, more prevalent, and more promiscuous, i.e., can often be readily broken and reformed between other sites. Formation of a consistent, ordered, 3D structure may be impossible in the absence of any or presence of too many strong interactions. Further complicating the process is the inherent structural asymmetry of monomeric single chain macromolecules. The process of crystal nucleation and growth involves the ordered assembly of growth units into a defined 3D lattice. We suggest that for many macromolecules, particularly those that are monomeric, this involves a preliminary solution-phase assembly process into a growth unit having some symmetry prior to addition to the lattice, recapitulating the initial stages of the nucleation process. If this model is correct then fluids and crystal growth models assuming a strictly monodisperse nutrient solution need to be revised. Experimental evidence, based upon face growth rate, AFM, and fluorescence energy transfer data, for a postulated model of the nucleation of tetragonal lysozyme crystals and how it transitions into crystal growth will be presented.

Pusey, Marc L.↗
NASA NTRS1989

Precipitation retrieval over land and ocean with the SSM/I - Identification and characteristics of the scattering signal

Consideration is given to the use of the Defense Meteorological Satellite Program's Special Sensor Microwave/Imager (SSM/I) to identify precipitation in warm and cold land and ocean environments. It is shown that the polarization diversity of the SSM/I operating at 85.5 GHz makes it possible to discriminate between low brightness temperatures due to surface water bodies and those due to precipitation. The theoretical sensitivity of SSM/I between 19.35 and 8.5. GHz and the polarization correction for water surfaces and the effects of cloud water are discussed. Examples are presented of observational studies using SSM/I for the delineation of precipitation over land and oceans.

Spencer, Roy W.↗
DOE OSTI2020

Analysis of the Frequency of Extreme Precipitation Events at Los Alamos National Laboratory

The Environmental Protection and Compliance (EPC) Storm Water Permitting and Compliance Program is currently updating its stormwater compliance standards for the Los Alamos National Laboratory (LANL) Engineering Standards Manual (2015) and is addressing the required current meteorological data needed for storm water applications. Information on the frequency of extreme precipitation events at LANL is needed. In response to this request, LANL Meteorology & Air Quality (MAQ) was tasked to estimate the frequency of extreme precipitation events. An earlier study by Foley (2012) which estimated extreme precipitation rates at LANL for a set of duration periods and average recurrence intervals (return periods) was evaluated. However, it was determined that this study would not be helpful since its technical support documentation was unavailable and the meteorological data and the methodology employed were not well understood. This led to the need to develop a new peer-reviewed methodology. This report documents the development of the new methodology and the application of a temporally representative precipitation dataset from February 1990 through December 2018, monitored at the official LANL meteorological station, Technical Area (TA)-6, to develop the frequency of extreme precipitation events.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Guanidine compounds for removal of oxyanions from aqueous solutions and for carbon dioxide capture

Methods for removing oxyanions from water according to the following steps: (i) dissolving an oxyanion precipitating compound into the aqueous source to result in precipitation of an oxyanion salt of the oxyanion precipitating compound; and (ii) removing the oxyanion salt from the water containing the oxyanion to result in water substantially reduced in concentration of the oxyanion; wherein the oxyanion precipitating compound has the following composition: wherein A is a ring-containing moiety and Xm− is an anionic species with a magnitude of charge m. The invention employs bis-iminoguanidinium compounds according to Formula (1a) as well as neutral precursor compounds according to Formula (1), which can be used for removing undesirable species from aqueous solutions or air, such as removal of sulfate from water and carbon dioxide from air.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Interannual Variations in Tropical Upper-Tropospheric Humidity: Understanding Tropical Convective and Dynamical Processes

Uncertainty remains as to what extent variability in mid to upper tropospheric moisture, especially over the tropics, behaves as constant relative humidity during interannual climate variations associated with ENSO. Systematic variations in HIRS 6.7 micron and MLS 205 GHz suggest that dry subtropical regions evolving during warm SST events depress relative humidity, but the interpretation of these events is still uncertain. Additional specific concerns have to do with regional signatures of convective processes: How does the origin of dry air in the eastern subtropical N. Pacific differ in ENSO warm versus cold years? The dynamics of Rossby wave forcing by convective heating, subtropical jet stream dynamics, and dynamics driven subsidence all come into play here. How variations in precipitating ice hydrometeors from tropical anvils relate to variations in UTH is also a subject of debate? Do variations in precipitating ice, cloud cover and water vapor behavior show any support for the Iris-hypothesis mechanism? Here we examine historical records of SSM/T-2 data to gain a better physical understanding of the effects of deep convective moisture sources and dynamically-induced vertical circulations on UTH. These high frequency microwave measurements (183.3 GHz) take advantage of far less sensitivity to cloud hydrometeors than the 6.7 micron data to yield a record of upper tropospheric relative humidity. Furthermore, signatures of precipitating ice from these channels facilitate comparisons to TRMM hydrometeors detected by radar. In analyzing these observations, we isolate water vapor and temperature change components that affect brightness temperatures and the inferred relative humidity. Trajectory modeling is also used to understand interannual humidity anomalies in terms of outflow fbm convective regions and history of diabatically-driven sinking which modifies relative humidity.

Robertson, Franklin R.↗
DOE OSTI2022

Model files for estimating snow dynamics and stable water isotopes across the East River, CO.

A coupled hydrologic and snowpack stable water isotope model is used to assesses controls on isotopic inputs across the East River, Colorado, a large, mountainous basin. The hydrologic model uses the semi-empirical, spatially distributed and publicly available U.S. Geological Survey numerical code Precipitation-Modelling Runoff System (PRMS). Water and energy are tracked daily through the atmosphere, canopy and subsurface at a 100-m grid resolution. The isotope mass balance model follows previous work by Ala-aho et al. (2017) to track stable isotopes entering the soil system as snowmelt or rain. Water stores and fluxes needed for the isotope model use hydrologic model output for each timestep and model modeled grid location. This data package provides all files related to the hydrologic model (executable, input and output files), the isotopic model calibration and the historic isotopic model (water years 2015-2020). The isotope model source code and executable are provided. The file "readme.txt" includes information on the file structure, steps to run the model, and description of included folders.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

More Heavy Precipitation in World Urban Regions Captured Through a Two‐Way Subgrid Land‐Atmosphere Coupling Framework in the NCAR CESM2

Abstract Current global climate models (GCMs), limited to grid‐scale land‐atmosphere coupling, cannot represent subgrid urban‐rural precipitation contrasts. This study develops an innovative two‐way subgrid land‐atmosphere coupling framework in the National Center for Atmospheric Research (NCAR) Community Earth System Model version 2 (CESM2) to explicitly resolve land‐atmosphere interaction over subgrid individual land units. Results show that urban heat island (UHI) leads to the urban rainfall effect (URE), which in turn alleviates overestimated UHI over China in CESM2. The URE manifests as a shift toward more heavy precipitation and less light precipitation in world urban areas than in surrounding rural counterparts. This feature is consistent with available observations. In heavy precipitation situations, the UHI promotes atmospheric instability and enhances atmospheric water vapor holding capacity, resulting in more heavy precipitation in urban areas. Conversely, in light precipitation situations, the UHI and decreased evaporation from urban impermeable surfaces diminish atmospheric relative humidity, suppressing light precipitation.

Geology↗
DOE OSTI2022

Water balance model (WBM) v.1.0.0: a scalable gridded global hydrologic model with water-tracking functionality

Abstract. This paper describes the University of New Hampshire Water Balance Model, WBM, a process-based gridded global hydrologic model that simulates the land surface components of the global water cycle and includes water extraction for use in agriculture and domestic sectors. The WBM was first published in 1989; here, we describe the first fully open-source WBM version (v.1.0.0). Earlier descriptions of WBM methods provide the foundation for the most recent model version that is detailed here. We present an overview of the model functionality, utility, and evaluation of simulated global river discharge and irrigation water use. This new version adds a novel suite of water source tracking modules that enable the analysis of flow-path histories on water supply. A key feature of WBM v.1.0.0 is the ability to identify the partitioning of sources for each stock or flux within the model. Three different categories of tracking are available: (1) primary inputs of water to the surface of the terrestrial hydrologic cycle (liquid precipitation, snowmelt, glacier melt, and unsustainable groundwater); (2) water that has been extracted for human use and returned to the terrestrial hydrologic system; and (3) runoff originating from user-defined spatial land units. Such component tracking provides a more fully transparent model in that users can identify the underlying mechanisms generating the simulated behavior. We find that WBM v.1.0.0 simulates global river discharge and irrigation water withdrawals well, even with default parameter settings, and for the first time, we are able to show how the simulation arrives at these fluxes by using the novel tracking functions.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2021

Features and Characteristics of the New NASA MicroPuLse NETwork (MPLNET) Automatic Rain Detection Algorithm

The water cycle strongly influences life on Earth. In particular, the precipitation modifies the atmospheric column thermodynamics through the process of evaporation and serves as a proxy for latent heat modulation. For this reason, a correct precipitation parameterization (especially low-intensity precipitation) at global scale, bedsides improving our understanding of the hydrological cycle, it is crucial to reduce the associated uncertainty of the global climate models to correctly forecast future scenarios, i.e. to apply fast mitigation strategies. In this study we developed an algorithm to automatically detect precipitation from lidar measurements obtained by the National and Aeronautics Space Administration (NASA) Micropulse lidar network (MPLNET) permanent observational site in Goddard. The algorithm, once full operational, will deliver in Near Real Time (latency 1.5h) a new rain mask product that will be publicly available on MPLNET website as part of the new Version 3 Level 1.5 data. The methodology, based on an image processing technique, can detect only light precipitation events (defined by intensity and duration) as the morphological filters used through the detection process are applied on the lidar volume depolarization ratio range corrected composite images, i.e. heavy rain events are unusable as the lidar signal is completely extinguished after few meters in the precipitation or no signal detected because of the water accumulated on the receiver optics.

S. Lolli↗
DOE OSTI2022

Quantifying the drivers of ecosystem fluxes and water potential across the soil-plant-atmosphere continuum in an arid woodland

Dryland ecosystems occupy a vast swath of the terrestrial land surface and exert a sizeable impact on the cycling of carbon and water globally. These biomes are characterized by tightly coupled carbon and water cycles that respond rapidly to transient pulses in water availability. However, there exist many mechanistic uncertainties regarding the environmental drivers of, and linkages between, plant and ecosystem processes. Thus, drylands are often poorly represented in many vegetation and land surface models. An enhanced understanding of dryland ecosystem function is limited by the lack of long-term, co-located, and frequent measurements of plant and ecosystem processes. At a piñon-juniper woodland in southeastern Utah, USA, we collected a continuous dataset of meteorological conditions, soil water potential from surface to bedrock, tree water potential, and ecosystem carbon and water fluxes from eddy covariance. We found that predawn and midday tree water potential and daily ecosystem fluxes were highly sensitive to fluctuations in soil water availability, particularly in shallower layers, and that daytime variability in atmospheric drivers only loosely controlled these processes. The strong connections between shallow soil water potential, tree water potential, and ecosystem fluxes occurred because of the dominant role of precipitation pulses in driving vegetation activity, as even small pulses of moisture stimulated shallow soil water potential, tree water potential, and evapotranspiration for between 1 and 2 weeks. Carbon fluxes (net ecosystem exchange and gross primary productivity) were sensitive to precipitation pulses for longer, up to 3 weeks. Our results highlight that improved monitoring and sensing of shallow soil moisture can greatly enhance our understanding of dryland ecosystem function. Here, a better mechanistic understanding of the impacts of precipitation pulses is also needed to improve vegetation modeling of dryland ecosystems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Data for publication: "A fresh take: Seasonal changes in terrestrial freshwater inputs impact salt marsh hydrology and vegetation dynamics"

This data repository contains data associated with the manuscript "A fresh take: Seasonal changes in terrestrial freshwater inputs impact salt marsh hydrology and vegetation dynamics". This study was conducted at the Elkhorn Slough National Estuarine Research Reserve in Watsonville, California from October 2019 - June 2022. We sought to understand the role of shallow freshwater inputs from adjacent uplands on salt marsh hydrologic behavior and vegetation productivity. This dataset contains CSV files of the following: daily salt marsh subsurface water level and pore water conductivity, monthly vegetation survey measurements, soil core data. Estuary surface water level, conductivity, and local precipitation were downloaded from the National Estuarine Research Reserve System (Centralized Data Management Office) at https://cdmo.baruch.sc.edu/.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Infrastructure-Relevant Storms of the Last Century

Historical extreme storm events are widely used to make Probable Maximum Precipitation (PMP) estimates, which form the cornerstone of large water management infrastructure safety. Past studies suggest that extreme precipitation processes can be sensitive to land surface feedback and the planetary warming trend, which makes the future safety of large infrastructures questionable given the projected changes in land cover and temperature in the coming decades. In this study, a numerical modeling framework was employed to reconstruct 10 extreme storms over CONUS that occurred during the past 100 years, which are used by the engineering profession for PMP estimation for large infrastructures such as dams. Results show that the correlation in daily rainfall for such reconstruction can range between 0.4 and 0.7, while the correlation for maximum 3-day accumulation (a standard period used in infrastructure design) is always above 0.5 for post-1948 storms. This suggests that current numerical modeling and reanalysis data allow us to reconstruct big storms after 1948 with acceptable accuracy. For storms prior to 1948, however, reconstruction of storms shows inconsistency with observations. Our study indicates that numerical modeling and data may not have advanced to a sufficient level to understand how such old storms (pre-1948) may behave in future warming and land cover conditions. However, the infrastructure community can certainly rely on the use of model reconstructed extreme storms of the 1948-present period to reassess safety of our large water infrastructures under assumed changes in temperature and land cover.

Chen, Xiaodong↗
NASA NTRS2012

NASA's Water Solutions Using Remote Sensing

NASA Water Resources works within Earth sciences to leverage investments of space-based observation, model results, and development and deployment of enabling technologies, systems, and capabilities into water resources management decision support tools for the sustainable use of water. Earth science satellite observations and modelling products provide a huge volume of valuable data in both near-real-time and extended back nearly 50 years about the Earth's land surface conditions such as land cover type, vegetation type and health, precipitation, snow, soil moisture, and water levels and radiation. Observations of this type combined with models and analysis enable satellite-based assessment of the water cycle. With increasing population pressure and water usage coupled with climate variability and change, water issues are being reported by numerous groups as the most critical environmental problems facing us in the 21st century. Competitive uses and the prevalence of river basins and aquifers that extend across boundaries engender political tensions between communities, stakeholders and countries. The NASA Water Resources Program has the objective to provide NASA products to help deal with these issues with the goal for the sustainable use of water. The Water Resources program organizes its projects under five functional themes: 1) stream-flow and flood forecasting; 2) water consumptive use (includes evapotranspiration) and irrigation; 3) drought; 4) water quality; and 5) climate and water resources. NASA primarily works with national and international groups such as other US government agencies (NOAA, EPA, USGS, USAID) and various other groups to maximize the widest use of the water products. A summary of NASA's water activities linked to helping solve issues for developing countries will be highlighted.

Toll, David↗