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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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

VERA-CS Modeling and Simulation of PWR Main Steam Line Break Core Response to DNB

The Virtual Environment for Reactor Applications core simulator (VERA-CS) being developed by the Consortium for the Advanced Simulation of Light Water Reactors (CASL) includes coupled neutronics, thermal-hydraulics, and fuel temperature components with an isotopic depletion capability. The neutronics capability employed is based on MPACT, a three-dimensional (3-D) whole core transport code. The thermal-hydraulics and fuel temperature models are provided by the COBRA-TF (CTF) subchannel code. As part of the CASL development program, the VERA-CS (MPACT/CTF) code system was applied to model and simulate reactor core response with respect to departure from nucleate boiling ratio (DNBR) at the limiting time step of a postulated pressurized water reactor (PWR) main steamline break (MSLB) event initiated at the hot zero power (HZP), either with offsite power available and the reactor coolant pumps in operation (high-flow case) or without offsite power where the reactor core is cooled through natural circulation (low-flow case). The VERA-CS simulation was based on core boundary conditions from the RETRAN-02 system transient calculations and STAR-CCM+ computational fluid dynamics (CFD) core inlet distribution calculations. The evaluation indicated that the VERA-CS code system is capable of modeling and simulating quasi-steady state reactor core response under the steamline break (SLB) accident condition, the results are insensitive to uncertainties in the inlet flow distributions from the CFD simulations, and the high-flow case is more DNB limiting than the low-flow case.

CTF↗
NASA NTRS1994

Statistical survey of pitch angle distributions in core (0-50 eV) ions from Dynamics Explorer 1: Outflow in the auroral zone, polar cap, and cusp

Core (0-50 eV) ion pitch angle measurements from the retarding ion mass spectrometer on Dynamics Explorer 1 are examined with respect to magnetic disturbance, invariant latitude, magnetic local time, and altitude for ions H(+), He(+), O(+), M/Z = 2 (D(+) or He(++)), and O(++). Included are outflow events in the auroral zone, polar cap, and cusp, separated into altitude regions below and above 3 R(sub E). In addition to the customary division into beam, conic, and upwelling distributions, the high-latitude observations fall into three categories corresponding to ion bulk speeds that are (1) less than, (2) comparable to, or (3) faster than that of the spacecraft. This separation, along with the altitude partition, serves to identify conditions under which ionospheric source ions are gravita- tionally bound and when they are more energetic and able to escape to the outer magnetosphere. Features of the cleft ion fountain inferred from single event studies are clearly identifiable in the statistical results. In addition, it is found that the dayside pre-noon cleft is a dayside afternoon cleft, or auroral zone, becomes an additional source for increased activity. The auroral oval as a whole appears to be a steady source of escape velocity H(+), a steady source of escape velocity He(+) ions for the dusk sector, and a source of escape velocity heavy ions for dusk local times primarily during increased activity. The polar cap above the auroral zone is a consistent source of low-energy ions, although only the lighter mass particles appear to have sufficient velocity, on average, to escape to higher altitudes. The observations support two concepts for outflow: (1) The cleft ion fountain consists of ionospheric plasma of 1-20 eV energy streaming upward into the magnetosphere where high-latitude convection electric fields cause poleward dispersion. (2) The auroral ion fountain involves field-aligned beams which flow out along auroral latitude field lines; and, in addition, for late afternoon local times, they experience additional acceleration such that the ion energy distribution tends to exceed the detection range of the instrument (greater than 50-60 eV).

Giles, B. L.↗
DOE OSTI2015

A VERY DEEP CHANDRA OBSERVATION OF A1795: THE COLD FRONT AND COOLING WAKE

We present a new analysis of very deep Chandra observations of the galaxy cluster A1795. Utilizing nearly 750 ks of net ACIS imaging, we are able to resolve the thermodynamic structure of the intracluster medium (ICM) on length scales of ∼1 kpc near the cool core. We find several previously unresolved structures, including a high pressure feature to the north of the Brightest Cluster Galaxy (BCG) that appears to arise from the bulk motion of A1795's cool core. To the south of the cool core, we find low temperature (∼3 keV), diffuse ICM gas extending for distances of ∼50 kpc spatially coincident with previously identified filaments of Hα emission. Gas at similar temperatures is also detected in adjacent regions without any Hα emission. The X-ray gas coincident with the Hα filament has been measured to be cooling spectroscopically at a rate of ∼1 M{sub ⊙} yr{sup −1}, consistent with measurements of the star formation rate in this region as inferred from ultraviolet (UV) observations, suggesting that the star formation in this filament as inferred by its Hα and UV emission can trace its origin to the rapid cooling of dense, X-ray emitting gas. The Hα filament is not a unique site of cooler ICM, however, as ICM at similar temperatures and even higher metallicities not cospatial with Hα emission is observed just to the west of the Hα filament, suggesting that it may have been uplifted by A1795's central active galaxy. Further simulations of cool core sloshing and active galactic nucleus feedback operating in concert with one another will be necessary to understand how such a dynamic cool core region may have originated and why the Hα emission is so localized with respect to the cool X-ray gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Isotope effects in dynamics of water isotopologues induced by core ionization at an x-ray free-electron laser

Dynamical response of water exposed to x-rays is of utmost importance in a wealth of science areas. We exposed isolated water isotopologues to short x-ray pulses from a free-electron laser and detected momenta of all produced ions in coincidence. By combining experimental results and theoretical modeling, we identify significant structural dynamics with characteristic isotope effects in H 2 O 2+ , D 2 O 2+ , and HDO 2+ , such as asymmetric bond elongation and bond-angle opening, leading to two-body or three-body fragmentation on a timescale of a few femtoseconds. A method to disentangle the sequences of events taking place upon the consecutive absorption of two x-ray photons is described. The obtained deep look into structural properties and dynamics of dissociating water isotopologues provides essential insights into the underlying mechanisms.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Assembly and seasonality of core phyllosphere microbiota on perennial biofuel crops

Abstract Perennial grasses are promising feedstocks for biofuel production, with potential for leveraging their native microbiomes to increase their productivity and resilience to environmental stress. Here, we characterize the 16S rRNA gene diversity and seasonal assembly of bacterial and archaeal microbiomes of two perennial cellulosic feedstocks, switchgrass ( Panicum virgatum L.) and miscanthus ( Miscanthus x giganteus ). We sample leaves and soil every three weeks from pre-emergence through senescence for two consecutive switchgrass growing seasons and one miscanthus season, and identify core leaf taxa based on occupancy. Virtually all leaf taxa are also detected in soil; source-sink modeling shows non-random, ecological filtering by the leaf, suggesting that soil is an important reservoir of phyllosphere diversity. Core leaf taxa include early, mid, and late season groups that were consistent across years and crops. This consistency in leaf microbiome dynamics and core members is promising for microbiome manipulation or management to support crop production.

09 BIOMASS FUELS↗
DOE OSTI2016

On the nature of hydrostatic equilibrium in galaxy clusters

In this paper, we investigate the level of hydrostatic equilibrium (HE) in the intracluster medium of simulated galaxy clusters, extracted from state-of-the-art cosmological hydrodynamical simulations performed with the Smoothed-Particle-Hydrodynamic code GADGET-3. These simulations include several physical processes, among which are stellar and active galactic nucleus feedback, and have been performed with an improved version of the code that allows for a better description of hydrodynamical instabilities and gas mixing processes. Evaluating the radial balance between the gravitational and hydrodynamical forces via the gas accelerations generated, we effectively examine the level of HE in every object of the sample and its dependence on the radial distance from the center and on the classification of the cluster in terms of either cool-coreness or dynamical state. We find an average deviation of 10%–20% out to the virial radius, with no evident distinction between cool-core and non-cool-core clusters. Instead, we observe a clear separation between regular and disturbed systems, with a more significant deviation from HE for the disturbed objects. The investigation of the bias between the hydrostatic estimate and the total gravitating mass indicates that, on average, this traces the deviation from HE very well, even though individual cases show a more complex picture. Typically, in the radial ranges where mass bias and deviation from HE are substantially different, the gas is characterized by a significant amount of random motions (≳30%), relative to thermal ones. As a general result, the HE-deviation and mass bias, at a given distance from the cluster center, are not very sensitive to the temperature inhomogeneities in the gas.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

RING E3 mechanism for ubiquitin ligation to a disordered substrate visualized for human anaphase-promoting complex

For many E3 ligases, a mobile RING (Really Interesting New Gene) domain stimulates ubiquitin (Ub) transfer from a thioester-linked E2~Ub intermediate to a lysine on a remotely bound disordered substrate. One such E3 is the gigantic, multisubunit 1.2-MDa anaphase-promoting complex/cyclosome (APC), which controls cell division by ubiquitinating cell cycle regulators to drive their timely degradation. Intrinsically disordered substrates are typically recruited via their KEN-box, D-box, and/or other motifs binding to APC and a coactivator such as CDH1. On the opposite side of the APC, the dynamic catalytic core contains the cullin-like subunit APC2 and its RING partner APC11, which collaborates with the E2 UBCH10 (UBE2C) to ubiquitinate substrates. However, how dynamic RING–E2~Ub catalytic modules such as APC11–UBCH10~Ub collide with distally tethered disordered substrates remains poorly understood. In this paper, we report structural mechanisms of UBCH10 recruitment to APC CDH1 and substrate ubiquitination. Unexpectedly, in addition to binding APC11’s RING, UBCH10 is corecruited via interactions with APC2, which we visualized in a trapped complex representing an APC CDH1 –UBCH10~Ub–substrate intermediate by cryo-electron microscopy, and in isolation by X-ray crystallography. To our knowledge, this is the first structural view of APC, or any cullin–RING E3, with E2 and substrate juxtaposed, and it reveals how tripartite cullin–RING–E2 interactions establish APC’s specificity for UBCH10 and harness a flexible catalytic module to drive ubiquitination of lysines within an accessible zone. Finally, we propose that multisite interactions reduce the degrees of freedom available to dynamic RING E3–E2~Ub catalytic modules, condense the search radius for target lysines, increase the chance of active-site collision with conformationally fluctuating substrates, and enable regulation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

Core hole processes in x-ray absorption and photoemission by resonant Auger-electron spectroscopy and first-principles theory

Electron–core hole interactions are critical for proper interpretation of core-level spectroscopies commonly used as analytical tools in materials science. Here we utilize resonant Auger-electron spectroscopy to uniquely identify exciton, shake, and charge-transfer processes that result from the sudden creation of the core hole in both x-ray-absorption and photoemission spectra. These effects are captured for the transition-metal compounds SrTiO 3 and MoS 2 by fully ab initio, combined real-time cumulant, and Bethe-Salpeter equation approaches to account for core hole dynamics and screening. Atomic charges and excited-state electron-density fluctuations reflect materials’ solid-state electronic structure, loss of translational symmetry around the core hole, and breakdown of the sudden approximation. They also demonstrate competition between long- and short-range screening in a solid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

A Study on Peripheral Grain Structure Evolution of an AA7050 Aluminum Alloy with a Laboratory-Scale Extrusion Setup

A laboratory-scale hot extrusion setup was designed to investigate recrystallization and grain growth behavior of an AA7050 alloy during extrusion and subsequent heat treatments. Compared with industrial extrusion, the laboratory-scale process enabled rapid water quenching of extrudate with less delay so that the dynamic grain structure development was captured. After extrusion, static microstructure evolution in the extrudates was studied using salt bath annealing for 5 and 15 s at 490 °C and solutionization treatment for 1 h at 490 °C. The salt bath annealing was a simulation of the delay of press quenching in typical industrial extrusion practices. In the as-quenched extrudates, the peripheral region mainly exhibited continuous dynamic recrystallization and geometric dynamic recrystallization, whereas in the core region discontinuous dynamic recrystallization dominated. A <100> and <111> double fiber texture was identified in extrudates, and recrystallization behavior was found to be orientation dependent. The <100> oriented grains contained more sub-grain boundaries and better-defined sub-grains and had a higher tendency to fragment via continuous recrystallization, while the <111> oriented grains produced less sub-grain boundaries and did not recrystallize. Subsequent heat treatments resulted in static recrystallization and abnormal growth of the continuously recrystallized grains. Additionally, the effects of extrusion temperature (440, 480 and 520 °C) and punch speed (0.7, 1.4 and 2.1 mm/s) on grain structure were discussed. A revised grain structure evolution mechanism based on the observation of 7050 extrusion was proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Scaling molecular dynamics beyond 100,000 processor cores for large-scale biophysical simulations

The growing interest in the complexity of biological interactions is continuously driving the need to increase system size in biophysical simulations, requiring not only powerful and advanced hardware but adaptable software that can accommodate a large number of atoms interacting through complex force fields. To address this, we developed and implemented strategies in the GENESIS molecular dynamics package designed for large numbers of processors. Long–range electrostatic interactions were parallelized by minimizing the number of processes involved in communication. Here, a novel algorithm was implemented for nonbonded interactions to increase single instruction multiple data (SIMD) performance, reducing memory usage for ultra large systems. Memory usage for neighbor searches in real–space nonbonded interactions was reduced by approximately 80%, leading to significant speedup. Using experimental data describing physical 3D chromatin interactions, we constructed the first atomistic model of an entire gene locus (GATA4). Taken together, these developments enabled the first billion–atom simulation of an intact biomolecular complex, achieving scaling to 65,000 processes (130,000 processor cores) with 1 ns/day performance.

3D modeling↗
NASA NTRS2000

Specifications of a Plasmasphere Modeling Code for GGCM

The Dynamic Global Core Plasma Model (DGCPM) is a parameterized model for core or thermal plasma in the magnetosphere. The model accounts for dayside ionospheric outflow and nightside inflow. It accounts for the global pattern of convection and corotation. The model is capable of being coupled to ring current and superthermal electron models for the purpose of providing thermal plasma spatial distributions and for the purpose of accepting the dynamic influences of these plasma populations back upon the thermal plasma. The DGCPM is designed to operate alone or to operate as part of a larger integrated package. The convection electric field and magnetic field used within the DGCPM can be shared with models of other plasma populations, in addition to the exchange of parameters important to the collective modeling of whole plasma systems in the inner magnetosphere. This talk will present the features of the DGCPM model code and the various forms of information that can be exchanged with other cooperating codes.

Gallagher, D. L.↗
DOE OSTI2016

Excited-state dynamics of size-dependent colloidal TiO{sub 2}-Au nanocomposites

The ultrafast excited-state dynamics of size-dependent TiO{sub 2}-Au nanocomposites synthesized by reducing gold nanoclusters to the surface of colloidal TiO{sub 2} nanoparticles are studied using pump-probe transient absorption spectroscopy with 400 nm excitation pulses. The results show that the relaxation processes of the plasmon depletion band, which are described by electron-phonon and phonon-phonon scattering lifetimes, are independent of the gold nanocluster shell size surrounding the TiO{sub 2} nanoparticle core. The dynamics corresponding to interfacial electron transfer between the gold nanoclusters and the TiO{sub 2} bandgap are observed to spectrally overlap with the gold interband transition signal, and the electron transfer lifetimes are shown to significantly decrease as the nanocluster shell size increases. Additionally, size-dependent periodic oscillations are observed and are attributed to acoustic phonons of a porous shell composed of aggregated gold nanoclusters around the TiO{sub 2} core, with frequencies that decrease and damping times that remain constant as the nanocluster shell size increases. These results are important for the development of improved catalytic nanomaterial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Dynamic, Intermediate Soil Carbon Pools May Drive Future Responsiveness to Environmental Change

Accurately capturing dynamic soil response to disturbance effects in agroecosystem models remains elusive, thereby limiting projections of climate change mitigation potential. Perennial grasses cultivated in zero‐tillage management systems hold promise as sustainable agroecosystems. High‐yielding tropical C 4 grasses often have extensive rooting systems, and the belowground processes of root turnover, aggregate formation, and mineral stabilization drove rapid C accumulation after cultivation in a recent study. We sought (i) to understand and constrain the size and responsiveness of dynamic, intermediate‐cycling C pools contributing to the observed C accrual rates, and (ii) to simulate C stocks over time under the disturbance of elevated temperature using soil incubation at multiple temperatures and physical fractionation via density and sonication. Three‐pool transfer modeling of soil incubations revealed small pools of readily available (i.e., days to months) microbial substrate that were responsive to temperature, time since cultivation, and inputs. Larger, kinetically slow‐cycling pools were more indicative of long‐term (i.e., years to decades) changes in C stock and strongly connected to measured changes in physical fractions. Combining the sensitivity of readily available microbial substrate with three‐pool transfer modeling of the physical fractions over time since cultivation revealed that dynamic transfers of inputs occurred between the free organic and aggregate‐protected fractions, and from these fractions to the mineral‐associated dense fraction. Under 5°C temperature elevation, increased transfer rates outweighed elevated decomposition losses to sustain soil C accrual into the future. To effectively plan managed landscapes and monitor sustainable agroecosystems for climate change mitigation, tools must incorporate the complexity of soil response to change. Core Ideas Dynamic aspects of soil C are inadequately represented in most models. Intermediate‐cycling pools are more responsive to disturbances than thought. Root inputs are rapidly moved from particulate debris to mineral‐bound stable pools. Temperature increased the transfer rate to stable pools and sustained C accumulation Climate change mitigation projections must capture dynamic responses in agroecosystems.

Crow, Susan E.↗
DOE OSTI2016

Angular momentum fluctuations in the convective helium shell of massive stars

We find significant fluctuations of angular momentum within the convective helium shell of a pre-collapse massive star—a core-collapse supernova progenitor—that may facilitate the formation of accretion disks and jets that can explode the star. The convective flow in our model of an evolved M{sub ZAMS}=15M{sub ⊙} star, computed using the subsonic hydrodynamic solver MAESTRO, contains entire shells with net angular momentum in different directions. This phenomenon may have important implications for the late evolutionary stages of massive stars and for the dynamics of core collapse.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

The core metabolome and root exudation dynamics of three phylogenetically distinct plant species

Abstract Root exudates are plant-derived, exported metabolites likely shaping root-associated microbiomes by acting as nutrients and signals. However, root exudation dynamics are unclear and thus also, if changes in exudation are reflected in changes in microbiome structure. Here, we assess commonalities and differences between exudates of different plant species, diurnal exudation dynamics, as well as the accompanying methodological aspects of exudate sampling. We find that exudates should be collected for hours rather than days as many metabolite abundances saturate over time. Plant growth in sterile, nonsterile, or sugar-supplemented environments significantly alters exudate profiles. A comparison of Arabidopsis thaliana , Brachypodium distachyon , and Medicago truncatula shoot, root, and root exudate metabolite profiles reveals clear differences between these species, but also a core metabolome for tissues and exudates. Exudate profiles also exhibit a diurnal signature. These findings add to the methodological and conceptual groundwork for future exudate studies to improve understanding of plant-microbe interactions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Coupling to short linear motifs creates versatile PME-1 activities in PP2A holoenzyme demethylation and inhibition

Protein phosphatase 2A (PP2A) holoenzymes target broad substrates by recognizing short motifs via regulatory subunits. PP2A methylesterase 1 (PME-1) is a cancer-promoting enzyme and undergoes methylesterase activation upon binding to the PP2A core enzyme. Here, we showed that PME-1 readily demethylates different families of PP2A holoenzymes and blocks substrate recognition in vitro. The high-resolution cryoelectron microscopy structure of a PP2A-B56 holoenzyme–PME-1 complex reveals that PME-1 disordered regions, including a substrate-mimicking motif, tether to the B56 regulatory subunit at remote sites. They occupy the holoenzyme substrate-binding groove and allow large structural shifts in both holoenzyme and PME-1 to enable multipartite contacts at structured cores to activate the methylesterase. B56 interface mutations selectively block PME-1 activity toward PP2A-B56 holoenzymes and affect the methylation of a fraction of total cellular PP2A. The B56 interface mutations allow us to uncover B56-specific PME-1 functions in p53 signaling. Our studies reveal multiple mechanisms of PME-1 in suppressing holoenzyme functions and versatile PME-1 activities derived from coupling substrate-mimicking motifs to dynamic structured cores.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

Solar System Dynamics

In these 18 years, the research has touched every major dynamical problem in the solar system, including: the effect of chaotic zones on the distribution of asteroids, the delivery of meteorites along chaotic pathways, the chaotic motion of Pluto, the chaotic motion of the outer planets and that of the whole solar system, the delivery of short period comets from the Kuiper belt, the tidal evolution of the Uranian arid Galilean satellites, the chaotic tumbling of Hyperion and other irregular satellites, the large chaotic variations of the obliquity of Mars, the evolution of the Earth-Moon system, and the resonant core- mantle dynamics of Earth and Venus. It has introduced new analytical and numerical tools that are in widespread use. Today, nearly every long-term integration of our solar system, its subsystems, and other solar systems uses algorithms that was invented. This research has all been primarily Supported by this sequence of PGG NASA grants. During this period published major investigations of tidal evolution of the Earth-Moon system and of the passage of the Earth and Venus through non-linear core-mantle resonances were completed. It has published a major innovation in symplectic algorithms: the symplectic corrector. A paper was completed on non-perturbative hydrostatic equilibrium.

Wisdom, Jack↗
NASA NTRSDate not supplied

Verification of the Generalized Aerospace Simulation in Simulink (R)

NASA uses six-degrees-of-freedom (6-DOF) simulations tools to design, test, develop Guidance Navigation and Control (GN&C) software, and certify vehicle performance prior to flight. Therefore, it is critical that the 6-DOF tools used for vehicle design and certification are validated. The focus of this work is the vali-dation of the NASA Marshall Space Flight Center 6-DOF “GeneraLized Aero-space Simulation in Simulink” (GLASS) framework tool. The GLASS tool framework is currently used to support NASA GN&C insight for the Human Landing System (HLS) project, simulating vehicle dynamics during lunar descent and as-cent. The GLASS framework utilizes the off-the-shelf Mathworks ® Simscape Multibody® toolbox to model vehicle multi-body dynamics. NASA’s Engineering and Safety Center (NESC) provides a set of 6-DOF simulation verification “check cases” that are available to any user needing to verify 6-DOF tools. The check cases contain seventeen atmospheric and twenty-six orbital test scenarios are provided to validate equations of motion, environmental models (e.g., atmosphere, gravitation, and geodesy) and tool propagators. This paper compares GLASS 6-DOF simulation results against the NESC check cases’ results via simulation-to-simulation comparisons. The comparisons demonstrate that GLASS simulation results are “in family” with the outputs of the applicable NASA NESC check cases and verifies the GLASS core framework dynamics and the correct implementation of the check case scenario models.

6-Dof↗