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At least 955 records · Page 53

Statistical perspective on embrittling potency for intergranular fracture

Embrittling potency is a thermodynamic metric that assesses the influence of solute segregation to a grain boundary (GB) on intergranular fracture. Historically, authors of studies have reported embrittling potency as a single scalar value, assuming a single segregation site of importance at a GB and a particular cleavage plane. However, the topography of intergranular fracture surfaces is not generally known a priori. Accordingly, we, in this study, present a statistical ensemble approach to compute embrittling potency, where many free surface (FS) permutations are systematically considered to model fracture of a GB. The result is a statistical description of the thermodynamics of GB embrittlement. As a specific example, embrittling potency distributions are presented for Cr segregation to sites at two Ni $\langle 111 \rangle$ symmetric tilt GBs using atomistic simulations. We show that the average embrittling potency for a particular GB site, considering an ensemble of FS permutations, is not equal to the embrittling potency computed using the lowest energy pair of FSs. A mean GB embrittlement is proposed, considering both the likelihood of formation of a particular FS and the probability of solute occupancy at each GB site, to compare the relative embrittling behavior of two distinct GBs.

36 MATERIALS SCIENCE↗

Environmental projects, volume 10. Environmental assessment: New 34-meter antenna at Apollo site

The Goldstone Deep Space Communications Complex (GDSCC) is part of NASA's Deep Space Network (DSN), one of the world's largest and most sensitive scientific telecommunications and radio navigation networks. A detailed description of the GDSCC is presented. At present the Venus Station has an unused 9-meter antenna and a 26-meter (85 ft) antenna known as DSS-13. Construction of a new 34-meter (111.5 ft) antenna at the Venus site is under way to replace the present DSS-13 26-meter antenna. The proposed construction at the Apollo Site of a new, high efficiency, 34-meter, multifrequency beam waveguide-type antenna to replace the aging, 20-year old, DSS-12 34-meter antenna located at the Echo Site is analyzed. This new 34-meter antenna, to be constructed at the Apollo Site and to be known as DSS-18, will be of a design similar to the new DSS-13 34-meter antenna now being constructed at the Venus Site. When the new 34-meter antenna is completed and operational at the Apollo Site (planned for 1993), the old DSS-12 34-meter antenna at the Echo Site will be decommissioned, dismantled, and removed.

Source record↗

Computational Aspects of Single-Molecule Kinetics for Coupled Catalytic Cycles: A Spectral Analysis

Catalysis from single active sites is analyzed using methods developed from single molecule kinetics. Using a stochastic Markov state description, the observable properties of general catalytic networks of reactions are expressed using an eigenvalue decomposition of the transition matrix for the Markov process. By the use of a sensitivity analysis, the necessary eigenvalues and eigenvectors are related to the energies of controlling barriers and wells located along the reaction routes. A generalization of the energetic span theory allows the eigenvalues to be computed from several activation energies corresponding to distinct barrier-well pairings. The formalism is demonstrated accurately for model problems for a physically realistic mechanism for an alkene hydrogenation reaction on a single atom catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Catalytic resonance of ammonia synthesis by simulated dynamic ruthenium crystal strain

Ammonia affords dense storage for renewable energy as a fungible liquid fuel, provided it can be efficiently synthesized from hydrogen and nitrogen. In this work, the catalysis of ammonia synthesis was computationally explored beyond the Sabatier limit by dynamically straining a ruthenium crystal (±4%) at the resonant frequencies (10 2 to 10 5+ Hz) of N 2 surface dissociation and hydrogenation. Density functional theory calculations at different strain conditions indicated that the energies of NH x surface intermediates and transition states scale linearly, allowing the description of ammonia synthesis at a continuum of strain conditions. A microkinetic model including multiple sites and surface diffusion between step and Ru(0001) terrace sites of varying ratios for nanoparticles of differing size revealed that dynamic strain yields catalytic ammonia synthesis conversion and turnover frequency comparable to industrial reactors (400°C, 200 atm) but at lower temperature (320°C) and an order of magnitude lower pressure (20 atm).

10 SYNTHETIC FUELS↗

Material Property Determinations for Rock Valley Legacy Samples in Support of Source Physics Experiment

The Source Physics Experiment (SPE) is a long-term NNSA research and development effort designed to improve nonproliferation verification and monitoring capabilities. The overarching goals of the SPE program are to improve understanding of prompt signals and physical signatures that develop from underground chemical explosions and associated modeling capabilities. Our work focuses on a primary factor controlling chemical explosion induced signals and signatures: the material properties of the rocks in which the chemical explosion takes place. This document reports on material property determinations of legacy core USGS Test Well F and outcrop analogs for the subsurface stratigraphy for the third phase of SPE in the Rock Valley (RV) area of the Nevada National Security Site (NNSS). The objective of this work is to establish a baseline set of lithologic descriptions and material properties expected prior to observatory borehole drilling in support of the SPE-RVDC (Rock Valley Direct Comparison) experiment. We determine for each rock type the compressional failure envelope, elastic properties as a function of stress (bulk modulus versus mean stress, shear modulus versus shear stress, Young’s modulus versus axial stress and Poisson’s ratio versus axial stress), indirect tensile strength, and porosity. Geologic characterization, both at the core-scale and microscale, provides context for using the data in modeling efforts and to inform interpretations for the material properties testing.

36 MATERIALS SCIENCE↗

Orbiter aborts from boost: Presimulation report

A description of a hybrid simulation of the 040C orbiter aborting from boost to specified landing site is provided. The simulation starts when the abort is initiated and continues until a terminal energy state (associated with the selected landing site) is reached. At abort it is assumed that all SRM's are jettisoned with the external tank remaining with the orbiter. The simulation described has six degrees of freedom with the vehicle simulated as a rigid body. A conventional form of autopilot is provided to control engine gimbaling during powered flight. An ideal form of an autopilot is provided to test conventional autopilot function and provide pseudo RCS function during coasting flight. The simulation is proposed to provide means for studies of abort guidance function and to gain information concerning ability to control the abort trajectory.

Backman, H. D.↗

Low relief features in terrain of the Decartes region and other areas: Near terminator photography, part U

Primary efforts were made to outline areas where low-relief features in the Apollo 16 landing site and associated plains and mare units were intensified in near-terminator photography. A description and, in some cases, a preliminary interpretation of several of these areas is included in an attempt to provide additional data relevant to the interpretation of the hills, plains, and associated units investigated on the Apollo 16 mission. Near-terminator photography for areas discussed is listed in a table.

Head, J. W.↗

Study of Lyndon B. Johnson Space Center utility systems

The results of an engineering study of potential energy saving utility system modifications for the NASA Lyndon B. Johnson Space Center are presented. The objective of the study was to define and analyze utility options that would provide facility energy savings in addition to the approximately 25 percent already achieved through an energy loads reduction program. A systems engineering approach was used to determine total system energy and cost savings resulting from each of the ten major options investigated. The results reported include detailed cost analyses and cost comparisons of various options. Cost are projected to the year 2000. Also included are a brief description of a mathematical model used for the analysis and the rationale used for a site survey to select buildings suitable for analysis.

Redding, T. E.↗

The Apollo 17 samples: The Massifs and landslide

More than 50 kg of rock and regolith samples, a little less than half the total Apollo 17 sample mass, was collected from the highland stations at Taurus-Littrow. Twice as much material was collected from the North Massif as from the South Massif and its landslide (the apparent disproportionate collecting at the mare sites is mainly a reflection of the large size of a few individual basalt samples). Descriptions of the collection, documentation, and nature of the samples are given. A comprehensive catalog is currently being produced. Many of the samples have been intensely studied over the last 20 years and some of the rocks have become very familiar and depicted in popular works, particularly the dunite clast (72415), the troctolite sample (76535), and the station 6 boulder samples. Most of the boulder samples have been studied in Consortium mode, and many of the rake samples have received a basic petrological/geochemical characterization.

Ryder, Graham↗

The Chesapeake Lighthouse and Aircraft Measurements for Satellites (CLAMS) Experiment

NASA has developed an Earth Observing System (EOS) consisting of a series of satellites designed to study global change from space. The EOS flagship is the EOS TERRA satellite, launched in December 1999, equipped with five unique sensors to monitor and study the Earth s heat budget and many of the key controlling variables governing the Earth's climate system. CLAMS, the Chesapeake Lighthouse and Aircraft Measurements for Satellites field campaign was conducted from NASA Wallops Flight Facility and successfully executed over the middle Atlantic eastern seaboard from July 10 August 2, 2001. CLAMS is primarily a shortwave closure experiment designed to validate and improve EOS TERRA satellite data products being derived from three sensors: CERES (Clouds and Earth's Radiant Energy System), MISR (Multi-angle Imaging Spectro-Radiometer) and MODIS (MODerate Resolution Imaging Spectroradiometer). CLAMS is jointly sponsored by the CERES, MISR and MODIS instrument teams and the NASA GEWEX Global Aerosol Climatology Project (GACP). CLAMS primary objectives are to validate satellite-based retrievals of aerosol properties and vertical profiles of radiative flux, temperature and water vapor. Central to CLAMS measurement strategy is the Chesapeake Lighthouse, a stable sea platform located in the Atlantic Ocean, 13 miles east of Virginia Beach near the mouth of the Chesapeake Bay and the site of an ongoing CERES Ocean Validation Experiment (COVE). Six research aircraft were deployed to make detailed measurements of the atmosphere and ocean surface in the vicinity of COVE, over the surrounding ocean, over nearby NOAA buoys and over a few land sites. The measurements are used to validate and provide ground truth for simultaneous products being derived from TERRA data, a key step toward an improved understanding and ability to predict changes in the Earth's climate. One of the two CERES instruments on-board TERRA was programmed for Rotating Azimuth Plane Scans (RAPS) during CLAMS, increasing the CERES coverage over COVE by a factor of 10. Nine coordinated aircraft missions and numerous additional sorties were flown under a variety of atmospheric conditions and aerosol loadings. On one golden day, July 17, all six aircraft flew coordinated patterns, vertically stacked between 100 ft and 65,000 ft over the COVE site as the TERRA satellite orbited overhead. A summary of CLAMS measurement campaign and a description of the platforms and measurements is given.

Smith, William L., Jr.↗

Capabilities of NASA's Space Physics Data Facility as Resources to Enable the Heliophysics Virtual discipline Observatories (VxOs)

SPDF now supports a broad range of data, user services and other activities. These include: CDAWeb current multi-mission data graphics, listings, file subsetting and supersetting by time and parameters; SSCWeb and 3-D Java client orbit graphics, listings and conjunction queries; OMNIWeb 1/5/60 minute interplanetary parameters at Earth; product-level SPASE descriptions of data including holdings of nssdcftp; VSPO SPASE-based heliophysics-wide product site finding and data use;, standard Data format Translation Webservices (DTWS); metrics software and others. These data and services are available through standard user and application webservices interfaces, so middleware services such as the Heliophysics VxOs, and externally-developed clients or services, can readily leverage our data and capabilities. Beyond a short summary of the above, we will then conduct the talk as a conversation to evolving VxO needs and planned approach to leverage such existing and ongoing services.

McGuire, Robert E.↗

Environmental Performance Report 2025: Annual Site Environmental Report per the U.S. Department of Energy Order 231.1B Chg 1

The National Laboratory of the Rockies (NLR) Environmental Performance Report provides a description of the laboratory's environmental management activities in calendar year 2025, including information on environmental performance, environmental compliance activities and status, and environmental protection programs, highlights, and successes. The purpose of this report is to ensure that the U.S. Department of Energy (DOE) and the public receive timely, accurate information about events that have positively affected or could adversely affect the health and safety of the public or workers, the environment, or the operations of DOE facilities. This report meets the DOE requirements of the Annual Site Environmental Report (ASER) and has been prepared in accordance with DOE Order 231.1B Chg 1, Environment, Safety and Health Reporting.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Solar Resource and Infrastructure Assessment for the Town of Blandford

This report is a solar resource and infrastructure assessment for the town of Blandford, Massachusetts. The assessment was funded through the National Renewable Energy Laboratory, Solar Energy Innovation Network (NREL SEIN) Solar in Rural Communities Program, as part of a project to develop a Community-Informed Proactive Solar Siting and Financing Model. As a first step, the project lead organization, UMass Clean Energy Extension prepared an assessment of existing infrastructure, resources, and potential solar development opportunities in participating municipalities, including Blandford. This assessment was designed to describe relevant bylaws and infrastructure within the town, identify the types of solar facilities that could be developed, and quantify the total space available for each type of facility. In this report, we reviewed existing electricity grid infrastructure, and the potential to interconnect additional solar facilities. At the present time, most distribution lines providing electricity to Blandford are over-saturated with authorized and proposed solar projects, and cannot accommodate additional solar projects to interconnect to the grid. We can expect significant upgrades to these circuits, if any of the in-process projects are to proceed, which might then free up additional capacity for new projects. There is one circuit which serves a section of North Blandford Road that is not over-saturated; for the immediate future, this is the most cost-effective location for new large-scale projects to be sited. Meanwhile, most three-phase lines could likely accommodate additional small-to-medium scale projects (under 200 kW), and most single-phase lines could likely accommodate additional projects under 50 kW in size. This description represents the local grid infrastructure as it is - planning for future scenarios of development could include recommendations for areas of grid infrastructure improvement to allow siting of distributed generation in preferred locations. Future scenarios may also include the addition energy storage and other "non-wires alternatives."

14 SOLAR ENERGY↗

Description, dissection, and subsampling of Apollo 14 core sample 14230

Core sample 14230, collected at Triplet Crater near the Fra Mauro landing site of the Apollo 14 mission, was dissected in greater detail than any previous core. Sediment from the actual lunar surface was missing, and 6.7 grams of sediment were removed from the base of the core for a portion of the biotest prime sample. Upper and lower portions of the original 70.7-gram core (12.5 centimeters long) were fractured excessively but not mixed stratigraphically. Three major morphologic units and 11 subdivisions were recognized. Dissection provided 55 subsamples in addition to three others made by removing longitudinal sections of the core impregnated with n-butyl methacrylate for use as a permanent documentary record and for studies requiring particles of known orientation.

Fryxell, R.↗

Stable isotope equilibria in the dihydrogen-water-methane-ethane-propane system. Part 1: Path-integral calculations with CCSD(T) quality potentials

Isotopic compositions of alkanes are typically assumed to be kinetically controlled, but recently is has been proposed that alkanes can isotopically equilibrate for both C and H isotopes during natural gas generation. Evaluation of this requires knowledge of the isotopic equilibrium between alkanes and other common hydrogen and carbon bearing species. Here, in this study, we calculate isotopic equilibria within and between gaseous dihydrogen (H 2 ), water (H 2 O), methane (CH 4 ), ethane (C 2 H 6 ) and propane (C 3 H 8 ), including isotope fractionation among molecules, clumped isotope effects, as well as among sites of propane (i.e., the site-specific isotope effects) from 0°C to 500°C using a path-integral method paired with high-level descriptions of molecular potentials and the diagonal correction to the Born Oppenheimer approximation. While path-integral calculations with high- level CCSD(T) potentials are available for the isotopic equilibria involving methane, the path-integral calculations for ethane and propane have only been performed based on lower-level descriptions of the molecular potentials. We analyze the relative importance of various approximations that are commonly employed when isotopic equilibria are evaluated. We find that clumped isotope effects can be calculated to the same accuracy using computationally inexpensive combination of the Bigeleisen-Mayer-Urey model with the molecular potential from density functional theory. In contrast, fractionation and site preferences of both deuterium and carbon-13 benefit from the use of the higher level CCSD(T) potentials and accounting for anharmonic effects. Additionally, for fractionation and site preference of deuterium corrections to Born-Oppenheimer approximation can also be important.

03 NATURAL GAS↗

Evapotranspiration partitioning estimates from 8 methods from 47 NEON sites, 2019-2021

This dataset provides daily estimates of evapotranspiration (ET) and the transpiration-to-evapotranspiration ratio (T/ET) across 47 terrestrial National Ecological Observatory Network (NEON) sites spanning diverse environmental and biome conditions in the United States across three years of data (2019-2021). Daily ET is reported in both energy units (MJ m⁻² day⁻¹) and equivalent water depth (mm day⁻¹), assuming a constant latent heat of vaporization of 2.45 MJ/kg. The primary method uses a hybrid recurrent neural network–Penman–Monteith framework (RNN-PM), which integrates physically based surface energy balance constraints with data-driven learning to partition ET into transpiration and evaporation components. Model inputs include in situ meteorological observations (air temperature, vapor pressure deficit, wind speed, and radiation) combined with satellite-derived land surface temperature, leaf area index, and soil moisture. For benchmarking and uncertainty assessment, T/ET estimates from seven additional models are included: Priestley-Taylor Jet Propulsion Laboratory (PT-JPL), Penman-Monteith (P-M), Two-Source Energy Balance (TSEB), Support Vector Regression (SVR), and Categorical Boosting (CatBoost), among others—spanning empirical, machine-learning, and process-based approaches (see methods section or linked publication for detailed descriptions). Data Package Contents: The dataset a csv files containing daily ET and T/ET estimates for each site and model, along with associated metadata files these variables. Data can be accessed using common spreadsheet software (e.g., Microsoft Excel, LibreOffice) or programming environments such as R or Python. Together, these data support cross-site comparisons of ecosystem water use, evaluation of ET partitioning methods, and development of improved land–atmosphere exchange models.

EARTH SCIENCE > ATMOSPHERE↗

Environmental Performance Report 2020 (Annual Site Environmental Report per the U.S. Department of Energy Order 231.1B Chg 1)

The National Renewable Energy Laboratory's (NREL's) Environmental Performance Report provides a description of the laboratory's environmental management activities in 2020, including information on environmental and sustainability performance, environmental compliance activities and status, and environmental protection programs, highlights, and successes. The purpose of this report is to ensure that the U.S. Department of Energy (DOE) and the public receive timely, accurate information about events that have positively affected or could adversely affect the health and safety of the public or workers, the environment, or the operations of DOE facilities. This report meets the DOE requirements of the Annual Site Environmental Report (ASER) and has been prepared in accordance with DOE Order 231.1B Chg 1, Environment, Safety and Health Reporting.

54 ENVIRONMENTAL SCIENCES↗

Environmental Performance Report 2019: Annual Site Environmental Report per the U.S. Department of Energy Order 231.1B Chg 1

The National Renewable Energy Laboratory's (NREL's) Environmental Performance Report provides a description of the laboratory's environmental management activities in 2019, including information on environmental and sustainability performance, environmental compliance activities and status, and environmental protection programs, highlights, and successes. The purpose of this report is to ensure that the U.S. Department of Energy (DOE) and the public receive timely, accurate information about events that have positively affected or could adversely affect the health and safety of the public or workers, the environment, or the operations of DOE facilities. This report meets the DOE requirements of the Annual Site Environmental Report (ASER) and has been prepared in accordance with DOE Order 231.1B Chg 1, Environment, Safety and Health Reporting.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗