Search NASA⌕ Search

SEARCH · Search NASA

Results for “Relativity”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Conservative numerical schemes with optimal dispersive wave relations: Part I. Derivation and analysis

An energy-conserving and an energy-and-enstrophy conserving numerical schemes are derived by approximating the Hamiltonian formulation of the inviscid shallow water flows based on the vorticity-divergence variables. These schemes also conserve the first-order moments such as mass and vorticity, as usual. The conservative properties of the schemes stem from the skew-symmetry and singularities of the Poisson brackets, which are carefully retained in the discrete approximations. Here, the schemes operate on unstructured orthogonal dual meshes, over bounded or unbounded domains, and they are also shown to possess the same optimal dispersive wave relations as those of the Z-grid scheme, which is a consequence of the use of the vorticity and divergence variables.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Theoretical Evaluation of Metal–Ligand Bonding in Neptunium Compounds in Relation to 237 Np Mössbauer Spectroscopy

The 237 Np Mössbauer isomer shift and quadrupole splitting (QS) are powerful probes for the metal–ligand bonding of neptunium, a 5f-element of vital importance in the nuclear fuel cycle. A large set of Np compounds with different oxidation states (III) to (VII) is studied to investigate, by first-principles calculations, isomer shifts and the QS trends in relation to the Np oxidation state. Natural Bond Orbital analysis reveals that in addition to donation bonding to the 5f shell, participation of the 6d and 7s neptunium shells in covalent (donation) bonding substantially impacts the isomer shifts. The isomer shift cannot be interpreted solely by the 5f shell electron count. The isomer shift for Np(II) compounds is estimated to be in the range of 31–34 mm/s, less positive than for Np(III) compounds. For the QS, density functional calculations fail to reproduce the quadrupole splitting for some Np(VI) ionic solids. A multiconfigurational wave function approach reproduces the observed QS trends. The calculations give a semiquantitative interpretation of the trends for Np oxidation states (V) to (VII). Furthermore, the contrasting QS for standard and “reverse” neptunyl(VI), at the opposite extremes of the observed QS scale, arises predominantly from the different crystal environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Computing the Relative Affinity of Chlorophylls a and b to Light-Harvesting Complex II

In plants and algae, the primary antenna protein bound to photosystem II is light-harvesting complex II (LHCII), a pigment–protein complex that binds eight chlorophyll (Chl) a molecules and six Chl b molecules. Chl a and Chl b differ only in that Chl a has a methyl group (–CH 3 ) on one of its pyrrole rings, while Chl b has a formyl group (–CHO) at that position. This blue-shifts the Chl b absorbance relative to Chl a . It is not known how the protein selectively binds the right Chl type at each site. Knowing the selection criteria would allow the design of light-harvesting complexes that bind different Chl types, modifying an organism to utilize the light of different wavelengths. The difference in the binding affinity of Chl a and Chl b in pea and spinach LHCII was calculated using multiconformation continuum electrostatics and free energy perturbation. Both methods have identified some Chl sites where the bound Chl type ( a or b ) has a significantly higher affinity, especially when the protein provides a hydrogen bond for the Chl b formyl group. However, the Chl a sites often have little calculated preference for one Chl type, so they are predicted to bind a mixture of Chl a and b . The electron density of the spinach LHCII was reanalyzed, which, however, confirmed that there is negligible Chl b in the Chl a -binding sites. Finally, it is suggested that the protein chooses the correct Chl type during folding, segregating the preferred Chl to the correct binding site.

chemical calculations↗
DOE OSTI2021

Discovery of a Wurtzite-like Cu 2 FeSnSe 4 Semiconductor Nanocrystal Polymorph and Implications for Related CuFeSe 2 Materials

I 2 -II-IV-VI 4 and I-III-VI 2 semiconductor nanocrystals have found applications in photovoltaics and other optoelectronic technologies because of their low toxicity and efficient light absorption into the near-infrared. Herein, we report the discovery of a metastable wurtzite-like polymorph of Cu 2 FeSnSe 4 , a member of the I 2 -II-IV-VI 4 family of semi-conductors containing only Earth-abundant metals. Density functional theory calculations on this metastable poly-morph of Cu 2 FeSnSe 4 indicate that it may be a superior semiconductor for solar energy and optoelectronics applications compared to the thermodynamically preferred stannite polymorph, since the former displays a sharper dispersion of energy levels near the conduction band minimum that can enhance electron mobility and suppress hot electron cooling. The experimental optical band gap was measured by the inverse logarithmic derivative method to be direct, in agreement with theory, and in the range of 1.48-1.59 eV. Mechanistic studies reveal that this metastable phase de-rives from intermediate Cu 3 Se 2 nanocrystals that serve as a structural template for the final hexagonal wurtzite-like product. We compare the chemistry of wurtzite-like Cu 2 FeSnSe 4 to the related CuFeSe 2 material system. Our experimental and computational comparisons between Cu 2 FeSnSe 4 and CuFeSe 2 help explain both the crystal chemistry of CuFeSe 2 that prevents it from forming wurtzite-like polymorphs and the essential role of Sn in stabilizing the metastable structure of Cu 2 FeSnSe 4 . Furthermore, this work provides insight into the importance of elemental composition when designing syntheses for metastable materials.

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

Attack Scenarios Relating to Army Facility-Related Control Systems: Quantifying the Cost to Secure and Cost Savings of the Army’s FRCS Program

Pacific Northwest National Laboratory (PNNL) analyzed the cyber-threat environment to U.S. Army facilities. This report describes three key factors in securing Army-owned facility-related control systems (FRCS). First, Section 1.0 provides background information about the project. Section 2.0 describes the various types of cyber-attacks. Section 3.0 provides a series of attack scenarios from real-world use cases are described in Section 3. These examples are relevant to the Army because the targeted systems or operating environments are like those used at Army installations. An estimated range for the cost to secure these systems is described in Section 4.0. Finally, the cost savings of preventing these kinds of attacks are described in Section 5.0.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1973

Relative motion of orbiting particles under the influence of perturbing forces. Volume 3: Construction of relative motion traces

Geometric traces can be simply constructed to illustrate the relative motions experienced by particles in a number of problem situations. These diagrams describe the displacements and hodographs which arise as a consequence of initial value inputs and selected disturbance (force) conditions. Due to the linearization which is imposed on the mathematical formulation there is a separation of the in-plane and out-of-plane coordinate solutions. The construction of in-plane traces is easier to represent and to visualize. The out-of-plane geometries are the more complicated cases and generally need some added specializations in order to acquire figures which have some degree of symmetry and simplicity.

Eades, J. B., Jr.↗
NASA NTRS1983

Crosscutting relations and relative ages of ridges and faults in the Tharsis region of Mars

The results of a detailed photogeologic analysis and classification of ridge-fault cross-cutting relationships on ridged plains units of the Tharsis region is reported. The problems involved in using the morphology of ridge-fault intersections to determine relative timing of structural events are discussed. The implications of using intersection angles as well as morphology to determine possible age relationships for the tectonic history of the region are presented. It is concluded that the major ridge-forming events in the Tharsis region were roughly coincident with, and possibly prior to, the extensional events that produced the faulting of the Tempe and Mareotis regions, the Coprates and Memnonia regions, and the rifting of the Valles Marineris. The compressional events that formed most of the ridges are restricted in time both by their relationship to regional extensional events and by the age of the units on which they formed.

Watters, T. R.↗
NASA NTRS1988

Primary task event-related potentials related to different aspects of information processing

The results of two studies which investigated the relationships between cognitive processing and components of transient event-related potentials (ERPs) are presented in a task in which mental workload was manipulated. The task involved the monitoring of an array of discrete readouts for values that went out of bounds, and was somewhat analogous to tasks performed in cockpits. The ERPs elicited by the changing readouts varied with the number of readouts being monitored, the number of monitored readouts that were close to going out of bounds, and whether or not the change took a monitored readout out of bounds. Moreover, different regions of the waveform differentially reflected these effects. The results confirm the sensitivity of scalp-recorded ERPs to the cognitive processes affected by mental workload and suggest the possibility of extracting useful ERP indices of primary task performance in a wide range of man-machine settings.

Munson, Robert C.↗
NASA NTRS1992

Global distribution and characteristics of coronae and related features on Venus - Implications for origin and relation to mantle processes

The increased coverage and resolution of Magellan images and altimetry data have resulted in significant new identifications of coronae and coronalike features and more detailed information on corona morphology, topography, and distribution. The distribution of coronae and coronalike features in Magellan data are assessed in the light of the proposed hotspot origin of these features. The basic characteristics of coronae are then compared with other possible hotspot features on Venus (e.g., major volcanic shields and domelike highlands) in a first-order assessment of the implications of mantle plume-related features on Venus for interior convective processes.

Stofan, Ellen R.↗
NASA NTRS2000

Exchange Forces in Dispersion Relations Investigated Using Circuit Relations

We propose a novel method to compute in an exact manner the left-hand cut discontinuity of the electron-Atom partial wave scattering amplitude in the complex energy plane within the static stage approximation. Zero energy dispersion relations for electron-Hydrogen scattering are computed numerically for illustration.

Vrinceanu, D.↗
DOE OSTI2020

Relating Texture and Thermomechanical Processing Variables in Mg–Zn–Ca Alloys

It is well known that the strong basal texture commonly produced in magnesium alloy sheets leads to poor formability at room temperature. A sizable body of work has explored how changing the alloy composition and rolling conditions can yield more desirable textures; however important thermomechanical variables, such as the feed rate during rolling, are often not included in the literature, making it difficult to correlate how changes in processing affect the final crystallographic texture. This work explores the texture evolution and grain refinement in Mg-Zn-Ca alloys during plane strain compression (PSC) using a Gleeble thermomechanical simulator. This instrument allows for precise control and capture of the thermomechanical history of the sample. The texture and grain morphology of the compressed samples were characterized using Electron Backscatter Diffraction (EBSD). The texture results will be used to identify which alloys and processing conditions should be scaled up for future rolling studies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Catabolism of lignin-related methoxylated compounds in white-rot fungi utilizes non-canonical oxidoreductases

White-rot fungi (WRF) are the most effective lignin-degrading organisms in nature, making them essential to Earth’s carbon cycle. Lignin is a highly methoxylated, heterogeneous biopolymer derived from plants. However, the pathways WRF use to metabolize methoxylated aromatic monomericcompounds as carbon sources remain unidentified. Here, we employ a systems biology approach to elucidate the intracellular catabolism of vanillate – a monomethoxylated aromatic compound – in two white-rot fungi (WRF), Gelatoporia subvermispora and Trametes versicolor. We identified and biochemically validated a four-enzyme pathway that converts vanillate into ß-ketoadipate – a metabolite that enters central carbon metabolism. This pathway deviates from typical bacterial pathways, where vanillate is initially demethylated and ring-cleaved by intradiol dioxygenases; instead, oxidative decarboxylation occurs prior to ring cleavage by extradiol dioxygenases. Thus, we conducted an in-depth investigation of ring cleavage and further downstream catabolism by the identified fungal enzymes using biochemical and structural approaches. This revealed non-canonical enzymes, including a highly substrate-specific extradiol dioxygenase and a metal-free, promiscuous reductase, the latter capable of acting on catabolic intermediates derived from both methoxylated and non-methoxylated aromatic compounds. This work emphasizes the potential of WRF and their enzymes to advance lignin valorization and enhance our understanding of their role during wood decay.

dioxygenase↗