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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

Rethinking the magnetic properties of lepidocrocite: A density functional theory and cluster expansion study

The iron oxyhydroxide lepidocrocite (g-FeOOH) is an abundant mineral critical to a number of chemical and technological applications. Of particular interest is the ground state and nite temperature magnetic order, and the subsequent impact this has upon crystal properties. The magnetic properties, investigated in this work are governed primarily through superexchange interactions, and have been calculated using density functional theory and cluster expansion methods. Quantication of these exchange terms has facilitated the determination of the ground state magneto-crystalline structure and subsequent calculation of its lattice constants, elastic moduli, cohesive enthalpy, and electronic density of states. Further, using a collinear magnetic conguration model, the magnetic heat capacity versus temperature has been studied and the Neel temperature obtained.

Pope, Daniel J.↗

Fresnel zone plate point spread function approximation for zeroth order mitigation in millimetric field of view x-ray imaging

High spatial and temporal resolution x-ray radiography images are required at the National Ignition Facility (NIF) for high-energy density experiments. One technique that is in development to achieve the required resolution uses Fresnel zone plate (FZP) optics to image an object that is backlit by an x-ray source. The multiple FZP diffraction orders do not focus on the same plane, which increases the background and reduces the contrast. Understanding the point spread function of the different diffraction orders will allow the prediction of the expected background using simulations. We find that the two-dimensional point spread function of the FZP can be approximated by the addition of a sharp Gaussian with a disk. This allowed for the estimation of the background in NIF experimental images of Rayleigh–Taylor spikes and their interpretation. An alternative design of FZP is discussed to allow the inclusion of a zeroth order blocker to reduce the background.

Do, A. (ORCID:0000000174372147)↗

Impacts of nitrogen addition on switchgrass root-associated diazotrophic community structure and function

ABSTRACT Cellulosic bioenergy crops, like switchgrass (Panicum virgatum), have potential for growth on lands unsuitable for food production coupled with potential for climate mitigation. Sustainability of these systems lies in identifying conditions that promote high biomass yields on marginal lands under low-input agricultural practices. Associative nitrogen fixation (ANF) is a potentially important nitrogen (N) source for these crops, yet ANF contributions to plant N, especially under fertilizer N addition are unclear. In this study, we assess structure (nifH) and function (ANF) of switchgrass root-associated diazotrophic communities to long-term and short-term N additions using soil from three marginal land sites. ANF rates were variable and often unexpectedly high, sometimes 10× greater than reported in the literature, and did not respond in repeatable ways to long-term or short-term N. We found few impacts of N addition on root-associated diazotrophic community structure or membership. Instead, we found a very consistent root-associated diazotrophic community even though switchgrass seeds were germinated in soil from field sites with distinct diazotrophic communities. Ultimately, this work demonstrates that root-associated diazotrophic communities have the potential to contribute to switchgrass N demands, independent of N addition, and this may be driven by selection of the diazotrophic community by switchgrass roots.

Microbiology↗

Bulk Diffusion of Cl through O Vacancies in α-Cr 2 O 3 : A Density Functional Theory Study

Many metals form passive oxides which are broken or weakened by anionic-induced degradation leading to material failure and anionic diffusion is an important step of this degradation process. The diffusion of anionic species through oxides involves a combination of diffusion along grain boundaries, cracks, and channels, as well as bulk diffusion via point defects which is the focus of this study. Using density functional theory, we study bulk diffusion of Cl through O vacancies in α -Cr 2 O 3 as a model system for passive metal oxides. Little is known about Cl diffusion and bonding characteristics, so we benchmark our work through comparison to numerous studies on O diffusion in α -Cr 2 O 3 to analyze similarities and differences between the O and Cl diffusion in the passivation and degradation process of α -Cr 2 O 3 respectively. Unlike O diffusion, the lowest diffusion barrier for Cl is cross-plane diffusion between two (0001) planes through a vacant cation site but the much shorter in-plane diffusion path within the same coordination polyhedron has 35% higher barrier. This work provides the basis for considering the contributions of Cl bulk-diffusion in the overall diffusion kinetics of Cl through α -Cr 2 O 3 .

Oware Sarfo, Kofi↗

Topography and Functional Traits Control the Distribution of Key Shrub Plant Functional Types in Low-Arctic Tundra: Supporting Data

High-resolution classification maps derived from occupied aerial systems (UASs). The UAS data were collected in August 2021 using a Skydio 2+ drone equipped with a 4K resolution red-green-blue (RGB) camera (2024 Skydio Inc) and a 3DR SOLO Quadcopter carried a Parrot Sequoia+ Multispectral Sensor (2023 Parrot Drone SAS). This package includes vegetation classification maps at four locations around Next Generation Ecosystem Experiment Arctic (NGEE Arctic) Council watershed study site on the Seward Peninsula, Alaska. The classification maps were generated using a combination of RGB and canopy height information. The map data and metadata are provided as ENVI image (.dat) and text (.txt, *hdr) formats. Additional map quicklooks are provided as GIS *.kml files. These datasets are provided in support of Yang et al., (In review), “Topography and Functional Traits Control the Distribution of Key Shrub Plant Functional Types in Low-Arctic Tundra”.The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 15-year research effort (2012-2027) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research.The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska.Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

SILVERRUSH. XIV. Ly α Luminosity Functions and Angular Correlation Functions from 20,000 Ly α Emitters at z ∼ 2.2–7.3 from up to 24 deg 2 HSC-SSP and CHORUS Surveys: Linking the Postreionization Epoch to the Heart of Reionization

Abstract We present luminosity functions (LFs) and angular correlation functions (ACFs) derived from 18,960 Ly α emitters (LAEs) at z = 2.2−7.3 over a wide survey area of ≲24 deg 2 that are identified in the narrowband data of the HSC-SSP and CHORUS surveys. Confirming the large sample with 241 spectroscopically identified LAEs, we determine Ly α LFs and ACFs in the brighter luminosity range down to 0.5 L ⋆ , and confirm that our measurements are consistent with previous studies but offer significantly reduced statistical uncertainties. The improved precision of our ACFs allows us to clearly detect one-halo terms at some redshifts, and provides large-scale bias measurements that indicate host halo masses of ∼10 11 M ⊙ over z ≃ 2−7. By comparing our Ly α LF (ACF) measurements with reionization models, we estimate the neutral hydrogen fractions in the intergalactic medium to be x H i < 0.05 (= 0.06 − 0.03 + 0.12 ) at z = 5.7 and x H i = 0.1 5 − 0.08 + 0.10 ( 0.21 − 0.14 + 0.19 ), 0.1 8 − 0.12 + 0.14 , and 0.7 5 − 0.13 + 0.09 at z = 6.6, 7.0, and 7.3, respectively. Our findings suggest that the neutral hydrogen fraction remains relatively low, x H i ≲ 0.2, at z = 5−7, but increases sharply at z > 7, reaching x H i ∼ 0.9 by z ≃ 8−9, as indicated by recent JWST studies. The combination of our results from LAE observations with recent JWST observations suggests that the major epoch of reionization occurred at z ∼ 7−8, likely driven by the emergence of massive sources emitting significant ionizing photons.

Umeda, Hiroya (ORCID:0009000801675129)↗

Spaceborne computer executive routine functional design specification. Volume 1: Functional design of a flight computer executive program for the reusable shuttle

A flight computer functional executive design for the reusable shuttle is presented. The design is given in the form of functional flowcharts and prose description. Techniques utilized in the regulation of process flow to accomplish activation, resource allocation, suspension, termination, and error masking based on process primitives are considered. Preliminary estimates of main storage utilization by the Executive are furnished. Conclusions and recommendations for timely, effective software-hardware integration in the reusable shuttle avionics system are proposed.

Curran, R. T.↗

Control of functional differential equations to target sets in function space

Optimal control of systems governed by functional differential equations of retarded and neutral type is considered. Problems with function space initial and terminal manifolds are investigated. Existence of optimal controls, regularity, and bang-bang properties are discussed. Necessary and sufficient conditions are derived, and several solved examples which illustrate the theory are presented.

Banks, H. T.↗

Control of functional differential equations of retarded and neutral type to target sets in function space.

Optimal control of systems governed by functional differential equations of retarded and neutral type is considered. Problems with function space initial and terminal manifolds are investigated. Existence of optimal controls, regularity, and bang-bang properties are discussed. Necessary and sufficient conditions are derived and several solved examples which illustrate the theory are presented.

Banks, H. T.↗

Control of functional differential equations with function space boundary conditions.

The results of various authors dealing with problems involving functional differential equations with terminal conditions in function space are reviewed. The review includes not only very recent results, but also some little known results of Soviet mathematicians prior to 1970. Particular attention is given to results concerning controllability, existence of optimal controls, and necessary and sufficient conditions for optimality.

Banks, H. T.↗

Non-Maxwellian velocity distribution functions associated with steep temperature gradients in the solar transition region. Paper 2: The effect of non-Maxwellian electron distribution functions on ionization equilibrium calculations for carbon, nitrogen and oxygen

Non-Maxwellian electron velocity distribution functions, previously computed for Dupree's model of the solar transition region are used to calculate ionization rates for ions of carbon, nitrogen, and oxygen. Ionization equilibrium populations for these ions are then computed and compared with similar calculations assuming Maxwellian distribution functions for the electrons. The results show that the ion populations change (compared to the values computed with a Maxwellian) in some cases by several orders of magnitude depending on the ion and its temperature of formation.

Roussel-Dupre, R.↗

Measuring Omega and the real correlation function from the redshift correlation function

Peculiar velocities distort the correlation function of galaxies in redshift space. In the linear regime, the distortion has a characteristic quadrupole plus hexadecapole form. The amplitude of the distortion depends on the cosmological density parameter Omega. Practical formulas are derived here which can be applied to redshift galaxy catalogs to measure Omega in the linear regime. The formulas also yield the real underlying correlation function in the linear regime, corrected for peculiar velocities.

Hamilton, A. J. S.↗