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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Contextualizing Non-Powered Dam Site Selection for Archimedes Screw Turbines: A Methodology for Responsible Archimedes Screw Turbine Conversion at Existing Dams

Non-powered dams represent 97% of dams in the United States and their energy generation potential has not been fully realized. The use of an Archimedes screw turbine to generate power at non-powered dams offers a dual benefit; producing electricity, and acting as downstream fish passage, helping to reconnect previously separated ecosystems. In this study, we assess the technical, environmental, social, and economic feasibility of generating power at non-powered U.S. dam sites using Archimedes screw turbines by integrating mechanical constraints, social impact metrics, proximity to infrastructure, and environmental sensitivity data. Results account for future precipitation predictions and show, between 2024 and 2050, the number of sites where Archimedes screw turbines are viable decreases by one site, but overall generation capacity increases due to increased flow rates across persisting locations. Our analysis identified 82 non-powered dam sites with a mean generation capacity of 49 kW that meet the mechanical requirements for Archimedes screw turbine technology in 2024. Our analysis presents a framework for considering social, environmental, and economic impacts of specific turbine technologies to convert non-powered dams to generate power.

Archimedes screw turbine↗
DOE OSTI2023

Site Selection for Field Testing of a Marine Hydrokinetic Turbine Platform to Serve as a Floating Unmanned Mobile Recharging Station for Aerial Drones

Abstract Expanding applications of unmanned aerial vehicles (UAVs) in coastal areas suggests a need for stations along or close to the coast where the UAV batteries can be easily recharged. A small-scale low flow marine current turbine in support of a floating autonomous recharge station for small UAVs has been designed and assembled at Florida Atlantic University and is being prepared for field testing. Surveys of identified test sites in the Intracoastal Waterways and at open ocean locations are being conducted to determine their suitability in meeting resource, system design and permitting requirements. A sensor platform has been developed for measuring local currents at the identified sites in support of resource characterization. Two out of the eight sites surveyed in the Intracoastal Waterways are found to meet the field-testing requirements for current resource, water depth, and sea bottom conditions. Planned field testing will include parametric characterization studies of the performance of the current turbine for a range of turbine blade configurations, current speeds, turbine wheel submergence levels, and test site location (channeled flow vs open ocean flow).

McKinney, Adriana Lynell↗
DOE OSTI2024

A substitutional quantum defect in WS2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation

Abstract Point defects in two-dimensional materials are of key interest for quantum information science. However, the parameter space of possible defects is immense, making the identification of high-performance quantum defects very challenging. Here, we perform high-throughput (HT) first-principles computational screening to search for promising quantum defects within WS 2 , which present localized levels in the band gap that can lead to bright optical transitions in the visible or telecom regime. Our computed database spans more than 700 charged defects formed through substitution on the tungsten or sulfur site. We found that sulfur substitutions enable the most promising quantum defects. We computationally identify the neutral cobalt substitution to sulfur ( $${\rm{Co}}_{{{{{{{{\rm{S}}}}}}}}}^{0}$$ Co S 0 ) and fabricate it with scanning tunneling microscopy (STM). The $${\rm{Co}}_{{{{{{{{\rm{S}}}}}}}}}^{0}$$ Co S 0 electronic structure measured by STM agrees with first principles and showcases an attractive quantum defect. Our work shows how HT computational screening and nanoscale synthesis routes can be combined to design promising quantum defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Cation- and lattice-site-selective magnetic depth profiles of ultrathin Fe 3 O 4 (001) films

A detailed understanding of ultrathin film surface properties is crucial for the proper interpretation of spectroscopic, catalytic, and spin-transport data. We present x-ray magnetic circular dichroism (XMCD) and x-ray resonant magnetic reflectivity (XRMR) measurements on ultrathin Fe 3 O 4 films to obtain magnetic depth profiles for the three resonant energies corresponding to the different cation species F e o c t 2 + , F e t e t 3 + , and F e o c t 3 + located on octahedral and tetrahedral sites of the inverse spinel structure of Fe 3 O 4 . By analyzing the XMCD spectrum of Fe 3 O 4 using multiplet calculations, the resonance energy of each cation species can be isolated. Performing XRMR on these three resonant energies yields magnetic depth profiles that each correspond to one specific cation species. The depth profiles of both kinds of Fe 3+ cations reveal a (3.9 ± 1.0) -Å -thick surface layer of enhanced magnetization, which is likely due to an excess of these ions at the expense of the F e o c t 2 + species in the surface region. The magnetically enhanced F e t e t 3 + layer is additionally shifted about 2.9 ± 0.4 Å farther from the surface than the F e o c t 3 + layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2007

Mars-GRAM Applications for Mars Science Laboratory Mission Site Selection Processes

An overview is presented of the Mars-Global Reference Atmospheric Model (Mars-GRAM 2005) and its new features. One important new feature is the "auxiliary profile" option, whereby a simple input file is used to replace mean atmospheric values from Mars-GRAM's conventional (General Circulation Model) climatology. An auxiliary profile can be generated from any source of data or alternate model output. Results are presented using auxiliary profiles produced from mesoscale model output (Southwest Research Institute's Mars Regional Atmospheric Modeling System (MRAMS) model and Oregon State University's Mars mesoscale model (MMM5) model) for three candidate Mars Science Laboratory (MSL) landing sites (Terby Crater, Melas Chasma, and Gale Crater). A global Thermal Emission Spectrometer (TES) database has also been generated for purposes of making 'Mars-GRAM auxiliary profiles. This data base contains averages and standard deviations of temperature, density, and thermal wind components, averaged over 5-by-5 degree latitude bins and 15 degree L(sub S) bins, for each of three Mars years of TES nadir data. Comparisons show reasonably good consistency between Mars-GRAM with low dust optical depth and both TES observed and mesoscale model simulated density at the three study sites. Mean winds differ by a more significant degree. Comparisons of mesoscale and TES standard deviations' with conventional Mars-GRAM values, show that Mars-GRAM density perturbations are somewhat conservative (larger than observed variability), while mesoscale-modeled wind variations are larger than Mars-GRAM model estimates. Input parameters rpscale (for density perturbations) and rwscale (for wind perturbations) can be used to "recalibrate" Mars-GRAM perturbation magnitudes to better replicate observed or mesoscale model variability.

Justh, Hilary↗
NASA NTRS2007

Mars Global Reference Atmospheric Model (Mars-GRAM 2005) Applications for Mars Science Laboratory Mission Site Selection Processes

The new Mars-GRAM auxiliary profile capability, using data from TES observations, mesoscale model output, or other sources, allows a potentially higher fidelity representation of the atmosphere, and a more accurate way of estimating inherent uncertainty in atmospheric density and winds. Figure 3 indicates that, with nominal value rpscale=1, Mars-GRAM perturbations would tend to overestimate observed or mesoscale-modeled variability. To better represent TES and mesoscale model density perturbations, rpscale values as low as about 0.4 could be used. Some trajectory model implementations of Mars-GRAM allow the user to dynamically change rpscale and rwscale values with altitude. Figure 4 shows that an mscale value of about 1.2 would better replicate wind standard deviations from MRAMS or MMM5 simulations at the Gale, Terby, or Melas sites. By adjusting the rpscale and rwscale values in Mars-GRAM based on figures such as Figure 3 and 4, we can provide more accurate end-to-end simulations for EDL at the candidate MSL landing sites.

Justh, H. L.↗
NASA NTRS2001

Site Selection and Deployment Scenarios for Servicing of Deep-Space Observatories

The deep-space environment and relative transportation accessibility of the Weak Stability Boundary (WSB) region connecting the Earth-Moon and Sun-Earth libration points makes the Sun-Earth L2 an attractive operating location for future observatories. A summary is presented of key characteristics of future observatories designed to operate in this region. The ability to service observatories that operate within the region around the Lagrange points may greatly enhance their reliability, lifetime, and scientific return. The range of servicing missions might begin with initial deployment, assembly, test, and checkout. Post-assembly servicing missions might also include maintenance and repair, critical fluids resupply, and instrument upgrades. We define the range of servicing missions that can be performed with extravehicular activity, with teleoperated robots, and with autonomous robots. We then describe deployment scenarios that affect payload design. A trade study is summarized of the benefits and risks of alternative servicing sites, including at the International Space Station, at other low-Earth-orbit locations, at the Earth-Moon L1 location, and on-site at the Sun-Earth L2 location. Required technology trades and development issues for observatory servicing at each site, and with each level of autonomy, are summarized.

Willenberg, Harvey J.↗
NASA NTRS2008

Applications of Mars Global Reference Atmospheric Model (Mars-GRAM 2005) Supporting Mission Site Selection for Mars Science Laboratory

The Mars Global Reference Atmospheric Model (Mars-GRAM 2005) is an engineering level atmospheric model widely used for diverse mission applications. An overview is presented of Mars-GRAM 2005 and its new features. One new feature of Mars-GRAM 2005 is the 'auxiliary profile' option. In this option, an input file of temperature and density versus altitude is used to replace mean atmospheric values from Mars-GRAM's conventional (General Circulation Model) climatology. An auxiliary profile can be generated from any source of data or alternate model output. Auxiliary profiles for this study were produced from mesoscale model output (Southwest Research Institute's Mars Regional Atmospheric Modeling System (MRAMS) model and Oregon State University's Mars mesoscale model (MMM5)model) and a global Thermal Emission Spectrometer(TES) database. The global TES database has been specifically generated for purposes of making Mars-GRAM auxiliary profiles. This data base contains averages and standard deviations of temperature, density, and thermal wind components,averaged over 5-by-5 degree latitude-longitude bins and 15 degree L(s) bins, for each of three Mars years of TES nadir data. Results are presented using auxiliary profiles produced from the mesoscale model output and TES observed data for candidate Mars Science Laboratory (MSL) landing sites. Input parameters rpscale (for density perturbations) and rwscale (for wind perturbations) can be used to "recalibrate" Mars-GRAM perturbation magnitudes to better replicate observed or mesoscale model variability.

Justh, Hilary L.↗
NASA NTRS2022

Drill-Site Selection for Cosmogenic-Nuclide Exposure Dating of the Bed of the Greenland Ice Sheet

Direct observations of the size of the Greenland Ice Sheet during Quaternary interglaciations are sparse yet valuable for testing numerical models of ice-sheet history and sea level contribution. Recent measurements of cosmogenic nuclides in bedrock from beneath the Greenland Ice Sheet collected during past deep-drilling campaigns reveal that the ice sheet was significantly smaller, and perhaps largely absent, sometime during the past 1.1 million years. These discoveries from decades-old basal samples motivate new, targeted sampling for cosmogenic-nuclide analysis beneath the ice sheet. Current drills available for retrieving bed material from the US Ice Drilling Program require < 700 m ice thickness and a frozen bed, while quartz-bearing bedrock lithologies are required for measuring a large suite of cosmogenic nuclides. We find that these and other requirements yield only ∼ 3.4 % of the Greenland Ice Sheet bed as a suitable drilling target using presently available technology. Additional factors related to scientific questions of interest are the following: which areas of the present ice sheet are the most sensitive to warming, where would a retreating ice sheet expose bare ground rather than leave a remnant ice cap, and which areas are most likely to remain frozen bedded throughout glacial cycles and thus best preserve cosmogenic nuclides? Here we identify locations beneath the Greenland Ice Sheet that are best suited for potential future drilling and analysis. These include sites bordering Inglefield Land in northwestern Greenland, near Victoria Fjord and Mylius-Erichsen Land in northern Greenland, and inland from the alpine topography along the ice margin in eastern and northeastern Greenland. Results from cosmogenic-nuclide analysis in new sub-ice bedrock cores from these areas would help to constrain dimensions of the Greenland Ice Sheet in the past.

Greenland↗
DOE OSTI2020

Modulating Electrostatic Interactions in Ion Pair Intermediates To Alter Site Selectivity in the C−O Deoxygenation of Sugars

Abstract Controlling which products one can access from the predefined biomass‐derived sugars is challenging. Changing from CH 2 Cl 2 to the greener alternative toluene alters which C−O bonds in a sugar are cleaved by the tris(pentafluorophenyl)borane/HSiR 3 catalyst system. This increases the diversity of high‐value products that can be obtained through one‐step, high‐yielding, catalytic transformations of the mono‐, di‐, and oligosaccharides. Computational methods helped identify this non‐intuitive outcome in low dielectric solvents to non‐isotropic electrostatic enhancements in the key ion pair intermediates, which influence the reaction coordinate in the reactivity‐/selectivity‐determining step. Molecular‐level models for these effects have far‐reaching consequences in stereoselective ion pair catalysis.

Lowe, Jared M.↗
DOE OSTI2021

Site-Selective Real-Time Observation of Bimolecular Electron Transfer in a Photocatalytic System Using L-Edge X-Ray Absorption Spectroscopy

Here, time-resolved X-ray absorption spectroscopy has been utilized to monitor the bimolecular electron transfer in a photocatalytic water splitting system. This has been possible by uniting the local probe and element specific character of X-ray transitions with insights from high-level ab initio calculations. The specific target has been a heteroleptic [Ir III (ppy) 2 (bpy)] + photosensitizer, in combination with triethylamine as a sacrificial reductant and Fe 3 (CO) 12 as a water reduction catalyst. The relevant molecular transitions have been characterized via high-resolution Ir L-edge X-ray absorption spectroscopy on the picosecond time scale and restricted active space self-consistent field calculations. The presented methods and results will enhance our understanding of functionally relevant bimolecular electron transfer reactions and thus will pave the road to rational optimization of photocatalytic performance.

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

Controlling Infrared Plasmon Resonances in Inverse-Spinel Cadmium Stannate Nanocrystals via Site-Selective Cation-Exchange Reactions

Doped metal oxide nanocrystals (NCs) exhibit tunable localized surface plasmon resonances (LSPRs) in the infrared spectral region. Compared to the binary oxides commonly studied, plasmonic NCs derived from ternary oxides remain far less explored primarily due to the difficulty of controlling NC phase-purity and stoichiometry. Here, we report the synthesis of inverse spinel-type cadmium stannate (Cd 2 SnO 4 ) NCs, for which cation-exchange reactions were developed to tailor their composition and LSPR properties. X-ray absorption spectroscopy studies revealed that the inequivalent tetrahedrally and octahedrally coordinated Cd 2+ can be selectively exchanged for Cu + and In 3+ ions, respectively, enabling broadband tunable LSPR and Cu-mediated cation-exchange with lanthanide ions that are otherwise difficult to incorporate. Here, our work paves the way for systematic compositional engineering to accelerate the design of complex metal oxide NCs with emerging plasmonic, electronic, and magnetic properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

One Structure, Two Elements—LuGe 2 Superconductor vs Ordinary Metallic Conductor LuSn 2 . A Case Study on How Site-Selective Germanium for Tin Atom Substitution Leads to Modulating of the Charge Distribution

The substitution of chemically similar elements in a given crystal structure is an effective way to enhance physical properties, but the understanding on such improvements is usually impeded because the substitutions are random, and the roles of the different atoms cannot be distinguished by crystallographic symmetry. Herein, we provide a detailed crystallographic analysis and property measurements for the continuous solid solutions LuGe x Sn 2–x (0 < x < 2). The results show that there is no apparent change of the global symmetry, with the end-members LuGe 2 and LuSn 2 , as well as the intermediate LuGe x Sn 2–x compositions adopting the ZrSi 2 type structure (space group Cmcm, Pearson index oC12). Yet, the refinements of the crystal structures from single-crystal X-ray diffraction data show that Ge–Sn atom substitutions are not random, but occur preferentially at the zig-zag chain. The patterned distribution of two group 14 elements leads to a significant variation in chemical bonding and charge ordering within the other structural fragment, the 2D square nets, thereby resulting in tuned electron transport. The enhancement is greater than the typical Bloch-Gruneisen model, and more akin to the parallel-resistor model. Magnetization measurements on single crystals show bulk superconductivity in all LuGe x Sn 2–x samples with shielding fractions as high as 90%. Specific heat data confirm the effect to originate from residual metallic tin in the material, indicating that Sn atom substitutions in the 2D square nets cause disruptions of the hypervalent bonding and local anisotropy, which ultimately leads to vanishing of the superconducting state in the end-member LuGe 2 . This work sheds light on how the complexity in chemical interactions by two different carbon congeners leads to changes in the physical properties and how they can be correlated with the induced charge distribution. Furthermore, these studies also provide a general approach to modulation of charge density, and thus, of emerging physical properties in other classes of intermetallic systems based on the main-group elements of groups 13 to 15.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗