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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Pore-scale investigation on the response of heterotrophic respiration to moisture conditions in heterogeneous soils

The relationship between microbial respiration rate and soil moisture content is an important property for understanding and predicting soil organic carbon degradation, CO 2 production and emission, and their subsequent effects on climate change. This paper reports a pore-scale modeling study to investigate the response of heterotrophic respiration to moisture conditions in soils and to evaluate various factors that affect this response. X-ray computed tomography was used to derive soil pore structures, which were then used for pore-scale model investigation. The pore-scale results were then averaged to calculate the effective respiration rates as a function of water content in soils. The calculated effective respiration rate first increases and then decreases with increasing soil water content, showing a maximum respiration rate at water saturation degree of 0.75 that is consistent with field and laboratory observations. The relationship between the respiration rate and moisture content is affected by various factors, including pore-scale organic carbon bioavailability, the rate of oxygen delivery, soil pore structure and physical heterogeneity, soil clay content, and microbial drought resistivity. Simulations also illustrates that a larger fraction of CO 2 produced from microbial respiration can be accumulated inside soil cores under higher saturation conditions, implying that CO 2 flux measured on the top of soil cores may underestimate or overestimate true soil respiration rates under dynamic moisture conditions. Overall, this study provides mechanistic insights into the soil respiration response to the change in moisture conditions, and reveals a complex relationship between heterotrophic microbial respiration rate and moisture content in soils that is affected by various hydrological, geochemical, and biophysical factors.

58 GEOSCIENCES↗
DOE OSTI2022

Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscopy of 4-Thiouracil: A Simulation Study

We theoretically monitor the photoinduced ππ* → nπ* internal conversion process in 4-thiouracil (4TU), triggered by an optical pump. The element-sensitive spectroscopic signatures are recorded by a resonant X-ray probe tuned to the sulfur, oxygen, or nitrogen K-edge. We employ high-level electronic structure methods optimized for core-excited electronic structure calculation combined with quantum nuclear wavepacket dynamics computed on two relevant nuclear modes, fully accounting for their quantum nature of nuclear motions. We critically discuss the capabilities and limitations of the resonant technique. For sulfur and nitrogen, we document a pre-edge spectral window free from ground-state background and rich with ππ* and nπ* absorption features. The lowest sulfur K-edge shows strong absorption for both ππ* and nπ*. In the lowest nitrogen K-edge window, we resolve a state-specific fingerprint of the ππ* and an approximate timing of the conical intersection via its depletion. A spectral signature of the nπ* transition, not accessible by UV–vis spectroscopy, is identified. The oxygen K-edge is not sensitive to molecular deformations and gives steady transient absorption features without spectral dynamics. Here, the ππ*/nπ* coherence information is masked by more intense contributions from populations. Altogether, element-specific time-resolved resonant X-ray spectroscopy provides a detailed picture of the electronic excited-state dynamics and therefore a sensitive window into the photophysics of thiobases.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Pangenomics reveals alternative environmental lifestyles among chlamydiae

Chlamydiae are highly successful strictly intracellular bacteria associated with diverse eukaryotic hosts. Here we analyzed metagenome-assembled genomes of the “Genomes from Earth’s Microbiomes” initiative from diverse environmental samples, which almost double the known phylogenetic diversity of the phylum and facilitate a highly resolved view at the chlamydial pangenome. Chlamydiae are defined by a relatively large core genome indicative of an intracellular lifestyle, and a highly dynamic accessory genome of environmental lineages. We observe chlamydial lineages that encode enzymes of the reductive tricarboxylic acid cycle and for light-driven ATP synthesis. We show a widespread potential for anaerobic energy generation through pyruvate fermentation or the arginine deiminase pathway, and we add lineages capable of molecular hydrogen production. Genome-informed analysis of environmental distribution revealed lineage-specific niches and a high abundance of chlamydiae in some habitats. Together, our data provide an extended perspective of the variability of chlamydial biology and the ecology of this phylum of intracellular microbes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

The role of self-interacting right-handed neutrinos in galactic structure

It has been shown previously that the DM in galactic halos can be explained by a self-gravitating system of massive keV fermions ('inos') in thermodynamic equilibrium, and predicted the existence of a denser quantum core of inos towards the center of galaxies. In this article we show that the inclusion of self-interactions among the inos, modeled within a relativistic mean-field-theory approach, allows the quantum core to become massive and compact enough to explain the dynamics of the S-cluster stars closest to the Milky Way's galactic center. The application of this model to other galaxies such as large elliptical harboring massive central dark objects of ∼ 10{sup 9} M {sub ⊙} is also investigated. We identify these interacting inos with sterile right-handed neutrinos pertaining to minimal extensions of the Standard Model, and calculate the corresponding total cross-section σ within an electroweak-like formalism to be compared with other observationally inferred cross-section estimates. The coincidence of an ino mass range of few tens of keV derived here only from the galactic structure, with the range obtained independently from other astrophysical and cosmological constraints, points towards an important role of the right-handed neutrinos in the cosmic structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Plasma instabilities dominate radioactive transients magnetic fields: the self-confinement of leptons in Type Ia and core-collapse supernovae, and kilonovae

The light curves of radioactive transients, such as supernovae and kilonovae, are powered by the decay of radioisotopes, which release high-energy leptons through $\beta ^+$ and $\beta ^-$ decays. These leptons deposit energy into the expanding ejecta. As the ejecta density decreases during expansion, the plasma becomes collisionless, with particle motion governed by electromagnetic forces. In such environments, strong or turbulent magnetic fields are thought to confine particles, though the origin of these fields and the confinement mechanism have remained unclear. Using fully kinetic particle-in-cell (PIC) simulations, we demonstrate that plasma instabilities can naturally confine high-energy leptons. These leptons generate magnetic fields through plasma streaming instabilities, even in the absence of pre-existing fields. The self-generated magnetic fields slow lepton diffusion, enabling confinement, and transferring energy to thermal electrons and ions. Our results naturally explain the positron trapping inferred from late-time observations of thermonuclear and core-collapse supernovae. Furthermore, they suggest potential implications for electron dynamics in the ejecta of kilonovae. We also estimate synchrotron radio luminosities from positrons for Type Ia supernovae and find that such emission could only be detectable with next-generation radio observatories from a Galactic or local-group supernova in an environment without any circumstellar material.

instabilities↗
DOE OSTI2025

Imaging Valence Electron Rearrangement in a Chemical Reaction Using Hard X-Ray Scattering

We have observed the signatures of valence electron rearrangement in photoexcited ammonia using ultrafast hard x-ray scattering. Time-resolved x-ray scattering is a powerful tool for imaging structural dynamics in molecules because of the strong scattering from the core electrons localized near each nucleus. Such core-electron contributions generally dominate the differential scattering signal, masking any signatures of rearrangement in the chemically important valence electrons. Ammonia represents an exception to the typically high core-to-valence electron ratio. Here, we measured 9.8 keV x-ray scattering from gas-phase deuterated ammonia following photoexcitation via a 200 nm pump pulse to the 3s Rydberg state. We observed changes in the recorded scattering patterns due to the initial photoexcitation and subsequent deuterium dissociation. Ab initio calculations confirm that the observed signal is sensitive to the rearrangement of the single photoexcited valence electron as well as the interplay between adiabatic and nonadiabatic dissociation channels. The use of ultrafast hard x-ray scattering to image the structural rearrangement of single valence electrons constitutes an important advance in tracking valence electronic structure in photoexcited atoms and molecules.

Gabalski, Ian [SLAC National Accelerator Laborator↗
DOE OSTI2019

Searching for three-nucleon short-range correlations

Three-nucleon (3N) short-range correlations (SRCs) are some of the most elusive structures in nuclei. Their observation and the subsequent study of their internal makeup will have a significant impact on our understanding of the dynamics of the superdense nuclear matter which exists at the cores of neutron stars. In this paper, we discuss the kinematic conditions and observables that are most favorable for probing 3N SRCs in inclusive electronuclear processes and make a prediction for a quadratic dependence of the probabilities of finding a nucleon in 2N and 3N SRCs. We demonstrate that this prediction is consistent with the limited high-energy experimental data available, suggesting that we have observed, for the first time, 3N SRCs in electronuclear processes. Our analysis enables us to extract a 3 (A, Z), the probability of finding 3N SRCs in nuclei relative to the A = 3 system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Three-cluster dynamics within an ab initio framework

In this study, we introduce a fully antisymmetrized treatment of three-cluster dynamics within the ab initio framework of the no-core shell model/resonating-group method. Energy-independent nonlocal interactions among the three nuclear fragments are obtained from realistic nucleon-nucleon interactions and consistent ab initio many-body wave functions of the clusters. The three-cluster Schrödinger equation is solved with bound-state boundary conditions by means of the hyperspherical-harmonic method on a Lagrange mesh. We discuss the formalism in detail and give algebraic expressions for systems of two single nucleons plus a nucleus. Using a soft similarity-renormalization-group evolved chiral nucleon-nucleon potential, we apply the method to a 4 He+n+n description of 6 He and compare the results to experiment and to a six-body diagonalization of the Hamiltonian performed within the harmonic-oscillator expansions of the no-core shell model. Differences between the two calculations provide a measure of core ( 4 He) polarization effects.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Development of a Stiffness-Based Chemistry Load Balancing Scheme, and Optimization of Input/Output and Communication, to Enable Massively Parallel High-Fidelity Internal Combustion Engine Simulations

A closed-cycle gasoline compression ignition engine simulation near top dead center (TDC) was used to profile the performance of a parallel commercial engine computational fluid dynamics code, as it was scaled on up to 4096 cores of an IBM Blue Gene/Q supercomputer. The test case has 9 million cells near TDC, with a fixed mesh size of 0.15 mm, and was run on configurations ranging from 128 to 4096 cores. Profiling was done for a small duration of 0.11 crank angle degrees near TDC during ignition. Optimization of input/output performance resulted in a significant speedup in reading restart files, and in an over 100-times speedup in writing restart files and files for post-processing. Improvements to communication resulted in a 1400-times speedup in the mesh load balancing operation during initialization, on 4096 cores. An improved, “stiffness-based” algorithm for load balancing chemical kinetics calculations was developed, which results in an over 3-times faster run-time near ignition on 4096 cores relative to the original load balancing scheme. With this improvement to load balancing, the code achieves over 78% scaling efficiency on 2048 cores, and over 65% scaling efficiency on 4096 cores, relative to 256 cores.

CFD, Mira, Supercomputing, High Performance Comput↗
DOE OSTI2014

Dakota uncertainty quantification methods applied to the NEK-5000 SAHEX model.

This report summarizes the results of a NEAMS project focused on the use of uncertainty and sensitivity analysis methods within the NEK-5000 and Dakota software framework for assessing failure probabilities as part of probabilistic risk assessment. NEK-5000 is a software tool under development at Argonne National Laboratory to perform computational fluid dynamics calculations for applications such as thermohydraulics of nuclear reactor cores. Dakota is a software tool developed at Sandia National Laboratories containing optimization, sensitivity analysis, and uncertainty quantification algorithms. The goal of this work is to demonstrate the use of uncertainty quantification methods in Dakota with NEK-5000.

Weirs, V. Gregory↗
DOE OSTI2023

Photoconversion in Disordered Semiconductors: Spatial, Spectral, and Temporal Insights through Nonlinear Microscopy (Final Technical Report)

Conversion of solar photons to useable energy requires two processes to occur successfully in a light-harvesting material: 1) the initial photoexcited state must efficiently produce excited states that are free to move, and 2) those states must be transported to a new location where they can do useful work before any potential is lost as heat. The core focus of this project examined the spatial and energetic dynamics of these two primary events of photoconversion in solution-processed semiconducting materials. The electronic properties of these systems are complex and strongly influenced by the cumulative interaction of local morphology and composition, along with defects, interfaces, and trap sites. It is therefore important to interrogate these systems at the local level, where structural and compositional heterogeneity can be precisely correlated to variation in functionality. Utilizing ultrafast laser spectroscopy coupled together with optical microscopy, this project examined how excited states and free charges spatially and energetically evolve on length scales between 10 nanometers and 10 microns and on timescales from 50 femtoseconds to 1 nanosecond. Insights gained from measurements made on these characteristic length and time scales provided new insight into how macroscopic functionality in disordered photovoltaic materials emerges from the interplay of nanoscale and mesoscale interactions.

14 SOLAR ENERGY↗
DOE OSTI2017

Site- and Species-Specific Influences on Sub-Alpine Conifer Growth in Mt. Rainier National Park, USA

Identifying the factors that influence the climate sensitivity of treeline species is critical to understanding carbon sequestration, forest dynamics, and conservation in high elevation forest/meadow ecotones. Using tree cores from four sub-alpine conifer species collected from three sides of Mt. Rainier, WA, USA, we investigated the influences of species identity and sites with different local climates on radial growth–climate relationships. We created chronologies for each species at each site, determined influential plant-relevant annual and seasonal climatic variables influencing growth, and investigated how the strength of climate sensitivity varied across species and location. Overall, similar climate variables constrained growth on all three sides of the mountain for each of the four study species. Summer warmth positively influenced radial growth, whereas snow, spring warmth, previous summer warmth, and spring humidity negatively influenced growth. We discovered only a few subtle differences in the climate sensitivity of co-occurring species at the same site and between the same species at different sites in pairwise comparisons. A model including species by climate interactions provided the best balance between parsimony and fit, but did not lead to substantially greater predictive power relative to a model without site or species interactions. Our results imply that at treeline in moist temperate regions like Mt. Rainier, the same climatic variables drive annual variation in growth across species and locations, despite species differences in physiology and site differences in mean climates.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1973

Passive seismic experiment

The network of seismometers installed by the Apollo 17 and other Apollo missions is described. The effects of the impacts of lunar modules and S-4B stages on the lunar surfaces are discussed. The information concerning lunar composition which is obtained by analyzing the seismic signals generated by moonquakes and meteoroid impacts are analyzed. It is concluded that the seismic activity within the moon is extremely low compared to that with the earth. The moon is characterized by a rigid, dynamically inactive outer shell, approximately 1000 kilometers thick, surrounding a core that has markedly different elastic properties.

Latham, G. V.↗
NASA NTRS1993

Collapse and fragmentation of molecular cloud cores. I - Moderately centrally condensed cores

3D calculations of the collapse of moderately centrally condensed molecular cloud cores with varied thermal and rotational energies are presented. The calculations are carried out using a newly developed and tested second-order accurate radiative hydrodynamics code. Because of the use of a second-order accurate numerical scheme and initial clouds that resemble both observed prolate molecular cloud cores and magnetically supported clouds at the initiation of the dynamic collapse phase, the new models provide a superior estimate of the likelihood of fragmentation as a mechanism for binary star formation.

Boss, Alan P.↗
NASA NTRS1959

Elevated-Temperature Tests Under Static and Aerodynamic Conditions on Honeycomb-Core Sandwich Panels

Stainless-steel honeycomb-core sandwich panels which differed primarily in skin thicknesses were tested at elevated temperatures under static and aerodynamic conditions. The results of these tests were evaluated to determine the insulating effectiveness and structural integrity of the panels. The static radiant-heating tests were performed in front of a quartz-tube radiant heater at panel skin temperatures up to 1,5000 F. The aerodynamic tests were made in a Mach 1.4 heated blowdown wind tunnel. The tunnel temperature was augmented by additional heat supplied by a radiant heater which raised the panel surface temperature above 8000 F during air flow. Static radiant-heating tests of 2 minutes duration showed that all the panels protected the load-carrying structure about equally well. Thin-skin panels showed an advantage for this short-time test over thick-skin panels from a standpoint of weight against insulation. Permanent inelastic strains in the form of local buckles over each cell of the honeycomb core caused an increase in surface roughness. During the aero- dynamic tests all of the panels survived with little or no damage, and panel flutter did not occur.

Groen, Joseph M.↗
NASA NTRS2005

Planetary Origin Evolution and Structure

This wide-ranging grant supported theoretical modeling on many aspects of the formation, evolution and structure of planets and satellites. Many topics were studied during this grant period, including the evolution of icy bodies; the origin of magnetic fields in Ganymede; the thermal histories of terrestrial planets; the nature of flow inside giant planets (especially the coupling to the magnetic field) and the dynamics of silicate/iron mixing during giant impacts and terrestrial planet core formation. Many of these activities are ongoing and have not reached completion. This is the nature of this kind of research.

Stevenson, David J.↗
NASA NTRS2005

Excitation of Earth Rotation Variations "Observed" by Time-Variable Gravity

Time variable gravity measurements have been made over the past two decades using the space geodetic technique of satellite laser ranging, and more recently by the GRACE satellite mission with improved spatial resolutions. The degree-2 harmonic components of the time-variable gravity contain important information about the Earth s length-of-day and polar motion excitation functions, in a way independent to the traditional "direct" Earth rotation measurements made by, for example, the very-long-baseline interferometry and GPS. In particular, the (degree=2, order= 1) components give the mass term of the polar motion excitation; the (2,O) component, under certain mass conservation conditions, gives the mass term of the length-of-day excitation. Combining these with yet another independent source of angular momentum estimation calculated from global geophysical fluid models (for example the atmospheric angular momentum, in both mass and motion terms), in principle can lead to new insights into the dynamics, particularly the role or the lack thereof of the cores, in the excitation processes of the Earth rotation variations.

Chao, Ben F.↗
NASA NTRS2008

Core Technical Capability Laboratory Management System

The Core Technical Capability Lab - oratory Management System (CTCLMS) consists of dynamically generated Web pages used to access a database containing detailed CTC lab data with the software hosted on a server that allows users to have remote access.

Shaykhian, Linda↗