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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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Keywords for All People: How Keyword Governance and Coordination with the NASA ESDIS Standards Coordination Office (ESCO) Improves GCMD Keywords for Discuvery and Use

The Global Change Master Directory (GCMD) Keywords, initiated over twenty years ago, are a hierarchical set of controlled Earth Science vocabularies that help ensure Earth science data, services, and variables are described in a consistent and comprehensive manner and allow for the precise searching of metadata and subsequent retrieval of data, services, and variables. GCMD keywords are periodically analyzed for relevancy and will continue to be refined and expanded in response to user needs. The periodic analysis is a result of successful coordination with the ESDIS Standards Coordination Office (ESCO), which is responsible for standards activities across ESDIS, and assists with providing valuable stakeholder and subject matter expert (SME) feedback on GCMD vocabularies. The ESCO is also turning to the GCMD to discuss how the keyword review process can be improved and more streamlined. In addition to the ESCO, keyword requests and feedback are also received through the GCMD Keyword Forum.

Tyler Stevens↗
DOE OSTI2019

A metrics‐based analysis of seasonal daily precipitation and near‐surface temperature within seven Coordinated Regional Climate Downscaling Experiment domains

We compare ensemble mean daily precipitation and near‐surface temperatures from regional climate model simulations over seven Coordinated Regional Climate Downscaling Experiment domains for the winter and summer seasons. We use Taylor diagrams to show the domain‐wide pattern similarity between the model ensemble and the observational data sets. We use the Climatic Research Unit (CRU) and the University of Delaware gridded observations and ERA‐Interim reanalysis data as an additional observationally based estimate of historical climatology. Taylor diagrams determine the relative skill of the seven sets of simulations and quantify these results in terms of center pattern root‐mean square error and correlation coefficient. Results suggest that there is good agreement between the models and the CRU, in terms of their respective seasonal cycles, as shown in Taylor diagrams and bias plots. There is also good agreement between both gridded observation sets. In addition, downscaled ERA‐Interim precipitation is closer to observations than raw ERA‐Interim precipitation. Domains located in the low latitudes and those having high topography appear to have larger biases, especially precipitation.

Glisan, Justin M.↗
DOE OSTI2016

3D Motions of Iron in Six-Coordinate {FeNO} 7 Hemes by Nuclear Resonance Vibration Spectroscopy [3-D Motions of Iron in Six-coordinate {FeNO} 7 Hemes by NRVS

The vibrational spectrum of a six-coordinate nitrosyl iron porphyrinate, monoclinic [Fe(T p FPP)(1-MeIm)(NO)] (T p FPP = tetra- para -fluorophenylporphyrin; 1-MeIm=1-methylimidazole), has been studied by oriented single-crystal nuclear resonance vibrational spectroscopy (NRVS). The crystal was oriented to give spectra perpendicular to the porphyrin plane and two in-plane spectra perpendicular or parallel to the projection of the FeNO plane. These enable assignment of the FeNO bending and stretching modes. The measurements reveal that the two in-plane spectra have substantial differences that result from the strongly bonded axial NO ligand. The direction of the in-plane iron motion is found to be largely parallel and perpendicular to the projection of the bent FeNO on the porphyrin plane. The out-of-plane Fe-N-O stretching and bending modes are strongly mixed with each other, as well as with porphyrin ligand modes. The stretch is mixed with v 50 as was also observed for dioxygen complexes. The frequency of the assigned stretching mode of eight Fe-X-O (X= N, C, and O) complexes is correlated with the Fe XO bond lengths. The nature of highest frequency band at ≈560 cm -1 has also been examined in two additional new derivatives. Previously assigned as the Fe NO stretch (by resonance Raman), it is better described as the bend, as the motion of the central nitrogen atom of the FeNO group is very large. There is significant mixing of this mode. In conclusion, the results emphasize the importance of mode mixing; the extent of mixing must be related to the peripheral phenyl substituents.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

pH‐Responsive Relaxometric Behaviour of Coordination Polymer Nanoparticles Made of a Stable Macrocyclic Gadolinium Chelate

Abstract Lanthanide‐containing nanoscale particles have been widely explored for various biomedical purposes, however, they are often prone to metal leaching. Here we have created a new coordination polymer (CP) by applying, for the first time, a stable Gd III chelate as building block in order to prevent any fortuitous release of free lanthanide(III) ion. The use of the Gd‐DOTA‐4AmP complex as a design element in the CP allows not only for enhanced relaxometric properties (maximum r 1 =16.4 m m −1 s −1 at 10 MHz), but also for a pH responsiveness (Δ r 1 =108 % between pH 4 and 6.5), beyond the values obtained for the low molecular weight Gd‐DOTA‐4AmP itself. The CP can be miniaturised to the nanoscale to form colloids that are stable in physiological saline solution and in cell culture media and does not show cytotoxicity.

Aríñez‐Soriano, Javier↗
DOE OSTI2016

Coordination Architectures of energetic Cd (II) coordination polymers constructed by the bifunctional substituted-tetrazole-carboxylate ligands

Three different tetrazole-carboxylate ligands, monotetrazole-carboxylate H{sub 2}tza (H{sub 2}tza=1,5-tetrazole-diacetic acid), Hpztza (Hpztza=5-(2-pyrazinyl)tetrazole-2(1-methyl)acetic acid), ditetrazole-carboxylate H{sub 2}tzpha (H{sub 2}tzpha=1,3-di(tetrazole-5-yl)benzene-N2,N2′-diacetic acid) have been chosen to react with CdCl{sub 2}·6H{sub 2}O, resulting in the formation of three new compounds [Cd{sub 2}(tza){sub 2}] (1), [Cd(pztza){sub 2}] (2) and [Cd(tzpha)(CH{sub 3}OH){sub 2}] (3). The coordinate sites of the three ligands are major influenced by the different substituted group of tetrazole ring. These compounds have been characterized by elemental analysis, IR and single crystal X-ray diffraction. Compound 1 displays a complex 3D structure; compound 2 shows a 3D network and compound 3 features a 2D layer network. Furthermore, the luminescence properties investigated at room temperature in the solid state showed excellent ligand-centered luminescence. The obvious enhancement in luminescence makes these compounds potential materials for optical use. The differential scanning calorimetry (DSC) and thermogravimetric-differential thermogravimetric (TG-DTG) analyses were applied to evaluate the thermal decomposition behavior of such compounds, showing that compounds 2 and 3 can be used as potential energetic materials. The relevant thermodynamic parameters ΔH, ΔS and ΔG were calculated as well. - Graphical abstract: H{sub 2}tza, Hpztza and H{sub 2}tzpha have been prepared. Three novel Cd (II)compounds were synthesized by reactions of CdCl{sub 2}·6H{sub 2}O, namely three dimensional [Cd{sub 2}(tza){sub 2}] (1), three dimensional [Cd(pztza){sub 2}] (2), and two dimensional [Cd(tzpha)(CH{sub 3}O){sub 2}] (3). The luminescences were investigated. Furthermore, the DSC show compounds 1 and 3 can be used as potential explosive materials.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Formation of the layered conductive magnet CrCl 2 (pyrazine) 2 through redox-active coordination chemistry [A non-innocent coordination chemistry approach to 2D conductive magnets]

The unique properties of graphene, transition-metal dichalcogenides and other two-dimensional (2D) materials have boosted interest in layered coordination solids. In particular, 2D materials that behave as both conductors and magnets could find applications in quantum magnetoelectronics and spintronics. Here, we report the synthesis of CrCl 2 (pyrazine) 2 , an air-stable layered solid, by reaction of CrCl 2 with pyrazine (pyz). This compound displays a ferrimagnetic order below ~55 K, reflecting the presence of strong magnetic interactions. Electrical conductivity measurements demonstrate that CrCl 2 (pyz) 2 reaches a conductivity of 32 mS cm -1 at room temperature, which operates through a 2D hopping-based transport mechanism. These properties are induced by the redox-activity of the pyrazine ligand, which leads to a smearing of the Cr 3 d and pyrazine π states. We suggest that the combination of redox-active ligands and reducing paramagnetic metal ions represents a general approach towards tuneable 2D materials that consist of charge-neutral layers and exhibit both long-range magnetic order and high electronic conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Few- and many-nucleon systems with semilocal coordinate-space regularized chiral two- and three-body forces

We illustrate calculations of nucleon-deuteron scattering as well as ground and low-lying excited states of light nuclei in the mass range A = 3 – 16 up through next-to-next-to-leading order in chiral effective field theory using semilocal coordinate-space regularized two- and three-nucleon forces. It is demonstrated that both of the low-energy constants entering the three-nucleon force at this order can be determined from the triton binding energy and the differential cross section minimum in elastic nucleon-deuteron scattering. From all considered nucleon-deuteron scattering observables, the strongest constraint on these low-energy constants emerges from the precisely measured cross section minimum at E N = 70 MeV. The inclusion of the three-nucleon force is found to improve the agreement with the data for most of the considered observables.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1981

Transformation formulas relating geodetic coordinates to a tangent to Earth, plane coordinate system

Formulas and their approximation were developed to map geodetic position to an Earth tangent plane with an airport centered rectangular coordinate system. The transformations were developed for use in a terminal area air traffic model with deterministic aircraft traffic. The exact configured vehicle's approximation equations used in their precision microwave landing system navigation experiments.

Credeur, L.↗
DOE OSTI2016

An architecture for consolidating multidimensional time-series data onto a common coordinate grid

Consolidating measurement data for use by data models or in inter-comparison studies frequently requires transforming the data onto a common grid. Standard methods for interpolating multidimensional data are often not appropriate for data with non-homogenous dimensionality, and are hard to implement in a consistent manner for different datastreams. These challenges are increased when dealing with the automated procedures necessary for use with continuous, operational datastreams. In this paper we introduce a method of applying a series of one-dimensional transformations to merge data onto a common grid, examine the challenges of ensuring consistent application of data consolidation methods, present a framework for addressing those challenges, and describe the implementation of such a framework for the Atmospheric Radiation Measurement (ARM) program.

coordinate transformation↗