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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

HarDWR - Harmonized Water Rights Records

For a detailed description of the database of which this record is only one part, please see the HarDWR meta-record. Here we present a new dataset of western U.S. water rights records. This dataset provides consistent unique identifiers for each spatial unit of water management across the domain, unique identifiers for each water right record, and a consistent categorization scheme that puts each water right record into one of 7 broad use categories. These data were instrumental in conducting a study of the multi-sector dynamics of intersectoral water allocation changes through water markets (Grogan et al., in review). Specifically, the data were formatted for use as input to a process-based hydrologic model, WBM, with a water rights module (Grogan et al., in review). While this specific study motivated the development of the database presented here, U.S. west water management is a rich area of study (e.g., Anderson and Woosly, 2005; Tidwell, 2014; Null and Prudencio, 2016; Carney et al, 2021) so releasing this database publicly with documentation and usage notes will enable other researchers to do further work on water management in the U.S. west. The raw downloaded data for each state is described in Lisk et al. (in review), as well as here. The dataset is a collection of objects stored within an RDate file, stateWaterRightsHarmonized.RData. Each object either describes how one should interact with the other objects, or contains the harmonized water rights data. Here is each object described in detail: states: A character vector containing the state names for those states in which data was collected for. More importantly, the index of the state name is also the index in which that state's data can be found in the various following list objects. For example, if California is the third index in this object, the data for California will also be in the third index for each accompanying list. rightsByState_ground: A list of data frames with the cleaned ground water rights collected from each state. The column headers for each data frame are: waterRightID - The unique identifying ID of the water right, the same identifier as its state uses. basinNum - The alpha-numeric identifier of the WMA the record belongs to. priorityDate - The priority date associated with the right. allocatedFlow - The maximum flow of the allocation in cubic feet per second (ft3s-1). source - Whether the right is for surface water or groundwater. origWaterUse - The original stated water use from the state. waterUse - The water use category under the unified use categories established here. rightsByState_surface: A list of the cleaned surface water rights collected from each state. See rightsByState_ground for more details on how the data is formatted. fullRightsRecs: A list of the combined groundwater and surface water records for each state. Essentially, these lists are the merging of rightsByState_ground and rightsByState_surface by state. See rightsByState_ground for more details on how the data is formatted. projProj: The spatial projection used for map creation in the beginning of the project. Specifically, the World Geodetic System (WGS84) as a coordinate reference system (CRS) string in PROJ.4 format. wmaStateLabel: The name and/or abbreviation for what each state legally calls their WMAs. h2oUseByState: A list of spatial polygon data frames which contain the area(s) in which each water right is claimed to be used. It should be noted that not all water right records have a listed area(s) of use in this object. Currently, only Idaho and Washington provided valid data to be included in this object. h2oDivByState: A list of spatial points data frames which identifies the location of the Point of Diversion for the state's water rights. It should be noted that not all water right records have a listed Point of Diversion in this object. spatialWMAByState: A list of spatial polygon data frames which contain the spatial WMA boundaries for each state. The only data contained within the table are identifiers for each polygon. It is worth reiterating that Arizona is the only state in which the surface and groundwater WMA boundaries are not the same. wmaIDByState: A list which contains the unique ID values of the WMAs for each state. plottingDim: A character vector used to inform mapping functions for internal map making. Each state is classified as either "tall" or "wide", to maximize space on a typical 8x11 page.

Economics↗
DOE OSTI2021

State changes: insights from the U.S. Long Term Ecological Research Network

Understanding the complex and unpredictable ways ecosystems are changing and predicting the state of ecosystems and the services they will provide in the future requires coordinated, long-term research. This paper is a product of a U.S. National Science Foundation funded Long Term Ecological Research (LTER)network synthesis effort that addressed anticipated changes in future populations and communities. Each LTER site described what their site would look like in50 or 100 yr based on long-term patterns and responses to global change drivers in each ecosystem. Common themes emerged and predictions were grouped into state change, connectivity, resilience, time lags, and cascading effects. Here, we report on the “state change” theme, which includes examples from the Georgia Coastal (coastal marsh), Konza Prairie (mesic grassland), Luquillo(tropical forest), Sevilleta (arid grassland), and Virginia Coastal (coastal grassland) sites. Ecological thresholds(the point at which small changes in an environmental driver can produce an abrupt and persistent state change in an ecosystem quality, property, or phenomenon) were most commonly predicted. For example, in coastal ecosystems, sea-level rise and climate change could convert salt marsh to mangroves and coastal barrier dunes to shrub thicket. Reduced fire frequency has converted grassland to shrubland in mesic prairie, whereas overgrazing combined with drought drive shrub encroachment in arid grasslands. Lastly, tropical cloud forests are susceptible to climate-induced changes in cloud base altitude leading to shifts in species distributions. Overall, these examples reveal that state change is a likely outcome of global environmental change across adverse range of ecosystems and highlight the need for long-term studies to sort out the causes and consequences of state change. The diversity of sites within the LTER network facilitates the emergence of overarching concepts about state changes as an important driver of ecosystem structure, function, services, and futures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Revisiting the Bonding Model for Gold(I) Species: The Importance of Pauli Repulsion Revealed in a Gold(I)‐Cyclobutadiene Complex

Abstract Understanding the bonding of gold(I) species has been central to the development of gold(I) catalysis. Herein, we present the synthesis and characterization of the first gold(I)‐cyclobutadiene complex, accompanied with bonding analysis by state‐of‐the‐art energy decomposition analysis methods. Analysis of possible coordination modes for the new species not only confirms established characteristics of gold(I) bonding, but also suggests that Pauli repulsion is a key yet hitherto overlooked element. Additionally, we obtain a new perspective on gold(I)‐bonding by comparison of the gold(I)‐cyclobutadiene to congeners stabilized by p‐, d‐, and f‐block metals. Consequently, we refine the gold(I) bonding model, with a delicate interplay of Pauli repulsion and charge transfer as the key driving force for various coordination motifs. Pauli repulsion is similarly determined as a significant interaction in Au I ‐alkyne species, corroborating this revised understanding of Au I bonding.

Wong, Zeng Rong↗
DOE OSTI2022

Revisiting the Bonding Model for Gold(I) Species: The Importance of Pauli Repulsion Revealed in a Gold(I)–Cyclobutadiene Complex

Understanding the bonding of gold(I) species has been central to the development of gold(I) catalysis. Herein, we present the synthesis and characterization of the first gold(I)-cyclobutadiene complex, accompanied with bonding analysis by state-of-the-art energy decomposition analysis methods. Analysis of possible coordination modes for the new species not only confirms established characteristics of gold(I) bonding, but also suggests that Pauli repulsion is a key yet hitherto overlooked element. Additionally, we obtain a new perspective on gold(I)-bonding by comparison of the gold(I)-cyclobutadiene to congeners stabilized by p-, d-, and f-block metals. Consequently, we refine the gold(I) bonding model, with a delicate interplay of Pauli repulsion and charge transfer as the key driving force for various coordination motifs. Finally, Pauli repulsion is similarly determined as a significant interaction in Au I -alkyne species, corroborating this revised understanding of Au I bonding.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Tuning Interface Electronic Properties via Chiral Two‐Dimensional Metal‐Organic Frameworks

Control over structural symmetries in nanomaterials offers a powerful approach to engineer electronic properties. For instance, breaking of mirror symmetries in two-dimensional (2D) materials with a hexagonal lattice can lead to nontrivial electronic topologies and correlated-electron phenomena. Yet, the impact of structural chirality on the electronic properties of 2D materials and interfaces remains underexplored. Here, how chiral phases of a 2D metal-organic framework (MOF) with a hexagonal lattice—consisting of hexaazatriphenylene molecules coordinated to Cu atoms—scatter, confine, and perturb the Shockley surface state (SS) electrons of an underlying Ag(111) substrate is investigated. Via low-temperature scanning tunneling microscopy and spectroscopy, noncontact atomic force microscopy, and numerical calculations based on an electronic plane-wave expansion method, modifications of the Ag(111) SS band structure are shown and quantified, including gap openings and lifts of band degeneracies, driven exclusively by the structural chirality of the 2D MOF phases. These findings highlight how structural symmetries, in particular chirality, affect electronic states at material interfaces, expanding on the toolkit for designing 2D materials with tailored electronic properties.

band structure engineering↗
DOE OSTI2022

Actinides in complex reactive media: A combined ab initio molecular dynamics and machine learning analytics study of transuranic ions in molten salts

The predominant ionic chemistry and the similarity in ionic radius of actinides make it very difficult to structurally distinguish them in liquids. In this work, while ab initio molecular dynamics shows that the f-states clearly affects the electronic properties, their impact on structural properties is not obvious. For the series of trivalent actinides U 3+ , Pu 3+ , Cm 3+ , Cf 3+ , Fm 3+ in molten NaCl and FLiBe, actinide ligand bonds have a higher degree of covalency in NaCl (than in FLiBe), and a higher degree of ionicity in FLiBe. Furthermore, a machine learned classification model can distinguish atomic environments of chemically similar actinides, as long as atoms beyond the first solvation shells are considered. Our work shows that only two types of descriptors are necessary to account for all the fluctuations in heavy metal/molten salt mixtures: The first descriptor represents the electronic state of the heavy metal, while the second encompasses the local coordination environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

First-Principles Evaluation of Proton Hopping in Tetrahedral Oxide Motifs

Proton-conducting oxides (PCOs) are important materials used as ionic conductors for energy conversion technologies. Existing research efforts on PCO optimization and discovery generally focus on complex perovskite-based oxides that require doping and alloying to engineer oxygen deficiency and high proton conductivity. However, the variety of chemical compositions and coordination environments in oxides poses challenges for efficient materials design. In this computational study, we construct a database of simplified motifs to elucidate the relationship between fundamental materials chemistry and proton kinetics. Specifically, we focus on the zincblende crystal structure as a proxy for tetrahedral metal–oxide (M–O) coordination environments. We systematically quantified the effects of cation type, oxidation states, and M–O bond lengths on the proton hopping barrier, and found that strong M–O bonds and metal cations with large and variable oxidation states (e.g., Mo 6+ , V 5+ ) lead to smaller proton hopping barriers. By mapping the candidate cations and their preferred bond geometries onto materials databases such as the Inorganic Crystal Structure Database (ICSD) and Materials Project, we identified real materials containing the corresponding metal–oxide units. In general, we observed good agreement between the calculated proton hopping barriers obtained in real crystal structures and those predicted by our motif database. We also discuss the limitations of our model and possible future extensions to improve its predictive capabilities. Overall, our model provides a first step for the rational design and quick screening of energy-efficient PCOs.

organic↗
DOE OSTI2020

Evaluating cross-sectoral impacts of climate change and adaptations on the energy-water nexus: a framework and California case study

Abstract Electricity and water systems are inextricably linked through water demands for energy generation, and through energy demands for using, moving, and treating water and wastewater. Climate change may stress these interdependencies, together referred to as the energy-water nexus, by reducing water availability for hydropower generation and by increasing irrigation and electricity demand for groundwater pumping, among other feedbacks. Further, many climate adaptation measures to augment water supplies—such as water recycling and desalination—are energy-intensive. However, water and electricity system climate vulnerabilities and adaptations are often studied in isolation, without considering how multiple interactive risks may compound. This paper reviews the fragmented literature and develops a generalized framework for understanding these implications of climate change on the energy-water nexus. We apply this framework in a case study to quantify end-century direct climate impacts on California’s water and electricity resources and estimate the magnitude of the indirect cross-sectoral feedback of electricity demand from various water adaptation strategies. Our results show that increased space cooling demand and decreased hydropower generation are the most significant direct climate change impacts on California’s electricity sector by end-century. In California’s water sector, climate change impacts directly on surface water availability exceed demand changes, but have considerable uncertainty, both in direction and magnitude. Additionally, we find that the energy demands of water sector climate adaptations could significantly affect California’s future electricity system needs. If the worst-case water shortage occurs under climate change, water-conserving adaptation measures can provide large energy savings co-benefits, but other energy-intensive water adaptations may double the direct impacts of climate change on the state’s electricity resource requirement. These results highlight the value of coordinated adaptation planning between the energy and water sectors to achieve mutually beneficial solutions for climate resilience.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Microgrid-Integrated Solar-Storage Technology (MISST)

Microgrid-Integrated Solar-Storage Technology (MISST) project addresses availability and variability issues inherent in the solar photovoltaic (PV) technology by utilizing smart inverters for solar PV/battery storage and working synergistically with other components within a microgrid community. A key contribution of this project to the state-of-the-art is the practical implementation of seamless and coordinated control between the previously developed and DOE-funded Microgrid Master Controller (MMC) and the MISST controller, the latter is a dedicated solar-storage controller to manage high penetration of solar PV and energy storage systems.

14 SOLAR ENERGY↗
DOE OSTI2023

Wound-Field Synchronous Machine-System Integration toward 8X Power Density and Commercialization

In support of VTO's Electric Drive R&D activity, the Electric Drive Technologies (EDT) Consortium, a multi-disciplinary team of national labs and universities, coordinates and conducts a portfolio of research to advance the state-of-the-art in electric drive technologies. The Consortium established the following strategic goal listed below: (EDT Research Consortium Strategic Goal (compared to 2015 baseline)) A 125K electric traction drive system: (1) 8X power density improvement, or 1/10 the volume (33 kW/L), (2) 1/2 the cost ($\$$3.3/kW), (3) 2X useful life (300,000 miles), and (4) 100 kW/L inverter and a <20,000 rpm, 50kW/L electric motor The objective of this project is to design a Wound Field Synchronous Machine with 8X power density improvement and cost below $\$$3.3/kW.

42 ENGINEERING↗
DOE OSTI2024

Feedback on the Electric Emergency Incident and Disturbance Report, OE-417

The US Department of Energy (DOE) Office of Electricity (OE) mandates requirements for reporting electric emergencies and disruptions in the United States. Specific electric power industry organizations (such as balancing authorities, reliability coordinators, some generating entities, and electric utilities) report this information through the OE-417 Electric Emergency Incident and Disturbance Report via Form OE-417. Entities are required to submit Form OE-417 when at least one of the qualifying 26 criteria is met pursuant to Section 13(b) of the Federal Energy Administration Act of 1974 (Public Law 93-275). Entities are required to report, within 6 hours of the incident, loss of electric service to 50,000 customers or more for 1 hour or longer. The deadline for submitting Form OE-417 depends on the nature of the incident. An updated Form OE-417 Schedule 1 and all of Schedule 2 are both due within 72 hours of the incident to provide complete disruption information. Additionally, a Final Report must be filed within 72 hours of the incident, unless an interim update has been provided. If the incident meets specific criteria, the form must be filed within one hour, six hours, or by the later of 24 hours after the recognition of the incident or by the end of the next business day.1 The ability of DOE to respond quickly to energy emergencies that could affect the nation’s infrastructure and help alleviate or prevent further disruptions depends on the industry’s prompt and complete submission of information. This report summarizes current issues with Form OE-417 and the reporting process and presents recommendations for improvements.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Measurements from mobile surface vehicles during the Lower Atmospheric Profiling Studies at Elevation – a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE)

Abstract. Between 14 and 20 July 2018, small unmanned aircraft systems (UASs) were deployed to the San Luis Valley of Colorado (USA) alongside surface-based remote sensors, in situ sensors, and radiosonde systems as part of the Lower Atmospheric Profiling Studies at Elevation – a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE). The measurements collected as part of LAPSE-RATE targeted quantities related to enhancing our understanding of boundary layer structure, cloud and aerosol properties and surface–atmosphere exchange and provide detailed information to support model evaluation and improvement work. Additionally, intensive intercomparison between the different unmanned aircraft platforms was completed. The current paper describes the observations obtained using three different types of surface-based mobile observing vehicles. These included the University of Colorado Mobile UAS Research Collaboratory (MURC), the National Oceanic and Atmospheric Administration National Severe Storms Laboratory Mobile Mesonet, and two University of Nebraska Combined Mesonet and Tracker (CoMeT) vehicles. Over the 1-week campaign, a total of 143 h of data were collected using this combination of vehicles. The data from these coordinated activities provide detailed perspectives on the spatial variability of atmospheric state parameters (air temperature, humidity, pressure, and wind) throughout the northern half of the San Luis Valley. These datasets have been checked for quality and published to the Zenodo data archive under a specific “community” setup for LAPSE-RATE (https://zenodo.org/communities/lapse-rate/, last access: 21 January 2021) and are accessible at no cost by all registered users. The primary dataset DOIs are https://doi.org/10.5281/zenodo.3814765 (CU MURC measurements; de Boer et al., 2020d), https://doi.org/10.5281/zenodo.3738175 (NSSL MM measurements; Waugh, 2020), and https://doi.org/10.5281/zenodo.3838724 (UNL CoMeT measurements; Houston and Erwin, 2020).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Apollo experience report: Onboard navigational and alignment software

The onboard navigational and alignment routines used during the nonthrusting phases of an Apollo mission are discussed as to their limitations, and alternate approaches that have more desirable capabilities are presented. A more efficient procedure for solving Kepler's equation, which is used in the calculation of Kepler's problem and Lambert's problem is included, and a sixth-order predictor scheme with a Runge-Kutta starter is recommended for numerical integration. The extension of the rendezvous navigation state to include angle biases and the use of a fixed coordinate system is also evaluated.

Savely, R. T.↗
NASA NTRS1971

Oxidation state of iron in plagioclase from lunar basalts.

Determination of the oxidation state of iron in the plagioclase from the coarse-grained basalts 10044 and 12021, using Mossbauer spectroscopy. The location of iron in the crystal structure was also investigated. The spectra show that iron is in the high-spin ferrous state, and they located at least two distinct positions with different coordination numbers. Some excess resonant absorption is probably due to Fe(3+), although the Fe(3+) doublet could not be positively resolved.

Hafner, S. S.↗
NASA NTRS1984

A Newton multigrid method for the Euler equations

A multigrid method is used to apply Newton's method to the Euler equations in a two dimensional curvilinear coordinate system. The objective is to obtain rapid convergence for steady state problems. Solutions computed with the method evolve in a non-time-like manner. Stable pressure distributions typically develop in eight to ten Newton-multigrid steps, which is equivalent to the computational work of about 70 iterations with a factored implicit algorithm.

Childs, R. E.↗
NASA NTRS1998

NASA/Mir Phase 1: A Lesson Learned in Long Duration Mission Planning and Operations

The NASA/Mir Phase I Program is a precursor to the assembly and operations of the International Space Station (ISS). The Phase I Program covers a four-year period and encompasses over ten shuttle flights to the Mir, culminating with the flight of STS-91 in June 1998. The Mir-Orbiting Station (Mir-OS) provides an excellent environment, both onboard and on the ground, for learning and studying the characteristics associated with crew-tended operations on long duration missions. By the end of the Phase I program, NASA astronauts will have accumulated over two years of continuous operations experience working and living onboard the Mir-OS. Ground controllers, working in Russia and at remote sites in the United States, will have gained valuable experience in the generation, maintenance, and coordination of the information and products required to support the long duration crew members onboard the Mir-OS. The experience gained by the crew and ground support personnel in the area of long duration mission operations has resulted in a number of factors that need to be considered in the definition and implementation of the processes and products for the ISS. While there are many areas in which experience has been gained, this paper focuses on the lessons learned regarding the level of detail and flexibility of crew timelines. Provided in this paper is an overview of the characteristics associated with long duration mission timeline development and execution, a summary of applicable lessons learned identified and documented through participation in the NASA/Mir Phase I Program, a detailed discussion of "Gross Timelines" as implementation which addresses the lessons learned. Also discussed are the challenges that must be overcome in getting the ISS program to recognize, evaluate, and learn from the crew and ground controller experience gained through participation in the NASA/Mir Phase I Program.

Hagopian, Jeff↗
NASA NTRS2007

A Web 2.0 and OGC Standards Enabled Sensor Web Architecture for Global Earth Observing System of Systems

This paper will describe the progress of a 3 year research award from the NASA Earth Science Technology Office (ESTO) that began October 1, 2006, in response to a NASA Announcement of Research Opportunity on the topic of sensor webs. The key goal of this research is to prototype an interoperable sensor architecture that will enable interoperability between a heterogeneous set of space-based, Unmanned Aerial System (UAS)-based and ground based sensors. Among the key capabilities being pursued is the ability to automatically discover and task the sensors via the Internet and to automatically discover and assemble the necessary science processing algorithms into workflows in order to transform the sensor data into valuable science products. Our first set of sensor web demonstrations will prototype science products useful in managing wildfires and will use such assets as the Earth Observing 1 spacecraft, managed out of NASA/GSFC, a UASbased instrument, managed out of Ames and some automated ground weather stations, managed by the Forest Service. Also, we are collaborating with some of the other ESTO awardees to expand this demonstration and create synergy between our research efforts. Finally, we are making use of Open Geospatial Consortium (OGC) Sensor Web Enablement (SWE) suite of standards and some Web 2.0 capabilities to Beverage emerging technologies and standards. This research will demonstrate and validate a path for rapid, low cost sensor integration, which is not tied to a particular system, and thus be able to absorb new assets in an easily evolvable, coordinated manner. This in turn will help to facilitate the United States contribution to the Global Earth Observation System of Systems (GEOSS), as agreed by the U.S. and 60 other countries at the third Earth Observation Summit held in February of 2005.

Mandl, Daniel↗
NASA NTRS2011

Mars Science Laboratory Entry Guidance

The Mars Science Laboratory will be the first Mars mission to attempt a guided entry with the objective of safely delivering the entry vehicle to a survivable parachute deploy state within 12.5 km of the pre-designated parachute deploy coordinates. The Entry Terminal Point Controller guidance algorithm is derived from the final phase Apollo Command Module guidance and, like Apollo, modulates the bank angle to control range based on deviations in range, altitude rate, and drag acceleration from a reference trajectory. For application to Mars landers which must make use of the tenuous Martian atmosphere, it is critical to balance the lift of the vehicle to minimize the range while still ensuring a safe deploy altitude. An overview of the process to generate optimized guidance settings is presented, discussing improvements made over the last nine years. Performance tradeoffs between ellipse size and deploy altitude will be presented, along with imposed constraints of entry acceleration and heating. Performance sensitivities to the bank reversal deadbands, heading alignment, attitude initialization error, and entry delivery errors are presented.

Mendeck, Gavin F.↗