Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “dynamical core”

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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Experimental and computational studies of the kinetics of the reaction of hydrogen peroxide with the amidogen radical

In this work, the pulsed-laser photolysis/laser-induced fluorescence method is used to study the kinetics of the reaction of NH 2 with H 2 O 2 to yield a second-order rate constant of (2.42 ± 0.55) × 10 –14 cm 3 molecule –1 s –1 at 412 K in 10–22 mbar of Ar bath gas. There are no prior measurements for comparison. To check this value and enable reliable extrapolation to other temperatures, we also compute thermal rate constants for this process over the temperature range 298–3000 K via multi-structural canonical variational transition-state theory with small-curvature multidimensional tunneling (MS-CVT/SCT). The CVT/SCT rate constants are derived using a dual-level direct dynamics approach utilizing single-point CCSD(T)-F12b/cc-pVQZ-F12 energies—corrected for core-valence and scalar relativistic effects—and M06-2X/MG3S geometries, gradients, and Hessians—for all stationary and non-stationary points along the reaction path. The multistructural method with torsional anharmonicity, based on a coupled torsional potential, is then employed to calculate correction factors for the rate constants, accounting for the comprehensive effects of torsional anharmonicity on the kinetics of this reaction system. The final MS-CVT/SCT rate constants are found to be in good agreement with our measurements and can be expressed in modified Arrhenius form as 2.13 × 10 –15 (T/298 K) 4.02 exp(–513 K/T) cm 3 molecule –1 s –1 over the temperature range of 298–3000 K.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Four-dimensional chromosome reconstruction elucidates the spatiotemporal reorganization of the mammalian X chromosome

Significance Breakthrough technological advances such as Hi-C have enabled large-scale sequencing of pairwise genomic contacts. However, translating the 2D contacts to 3D spatial models remains challenging. Here we develop the “4DHiC” modeling method to infer 3D information from 2D datasets across time and construct a 3D model of the inactive X-chromosome (Xi). Our model not only demonstrates a spatial phase-separation between A/B and S1/S2 compartments to form “hemispheres,” but also reveals persistent smaller-scale structures hidden under the Xi superstructure. We also simulate Xist RNA spreading dynamics and deduce that the RNA spreads between hemispheres via both surface and core to establish the Xi. Our 4DHiC will serve a growing demand for data-driven methodologies that extract spatial information from biochemical interaction data.

Lappala, Anna↗
DOE OSTI2016

New CMB constraints for Abelian Higgs cosmic strings

We present cosmic microwave background (CMB) power spectra from recent numerical simulations of cosmic strings in the Abelian Higgs model and compare them to CMB power spectra measured by Planck . We obtain revised constraints on the cosmic string tension parameter G μ. For example, in the ΛCDM model with the addition of strings and no primordial tensor perturbations, we find G μ < 2.0 × 10{sup −7} at 95% confidence, about 20% lower than the value obtained from previous simulations, which had 1/64 of the spatial volume. The increased computational volume also makes it possible to simulate fully the physical equations of motion, in which the string cores shrink in comoving coordinates. We find however that this, and the larger dynamic range, changes the amplitude of the power spectra by only about 10%. The main cause of the stronger constraints on G μ is instead an improved treatment of the string evolution across the radiation-matter transition.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Soil microbial ecology and microbiome-metabolite linkages improve understanding of ecosystem states along terrestrial-aquatic interfaces

Coastal soils are dynamic systems where unique microbial niches are shaped by the intensity and duration of flooding between the terrestrial and aquatic boundaries of the terrestrial-aquatic interface (TAI). We aimed to understand the soil microbial community (16S rRNA gene) along the TAIs of a freshwater versus estuarine region and how it relates to organic matter (OM, via Fourier Transform Ion Cyclotron Resonance Mass Spectrometry). We studied the TAI gradients along a transect from upland (forested), transition (stressed forest), to wetland at three sites in each of the Lake Erie (freshwater) and Chesapeake Bay (estuarine) regions. Microbial communities differed significantly by region, transect position, and site. Contrary to expectations, given their dynamic hydrologies, transitions represented midpoints in microbial richness and diversity. We identified a core microbiome conserved across all transect positions within a region, highlighting potential microbial functions most resilient to environmental change. Indicator taxa unique to each transect position defined specific niches shaped by soil biogeochemistry. Co-expression networks of feature-level β-nearest-taxon indices revealed positive relationships in bacterial and OM feature contributions to community assembly. Our study provides critical insights into microbial communities at the forefront of hydrological changes in coastal areas that connect the land to lakes and oceans and remain vulnerable to changing weather patterns.

coastal ecosystems↗
DOE OSTI2019

The hidden giant: discovery of an enormous Galactic dwarf satellite in Gaia DR2

ABSTRACT We report the discovery of a Milky Way satellite in the constellation of Antlia. The Antlia 2 dwarf galaxy is located behind the Galactic disc at a latitude of b ∼ 11° and spans 1.26°, which corresponds to ∼2.9 kpc at its distance of 130 kpc. While similar in spatial extent to the Large Magellanic Cloud, Antlia 2 is orders of magnitude fainter at MV = −9 mag, making it by far the lowest surface brightness system known (at ∼31.9 mag arcsec−2), ∼100 times more diffuse than the so-called ultra diffuse galaxies. The satellite was identified using a combination of astrometry, photometry, and variability data from Gaia Data Release 2, and its nature confirmed with deep archival DECam imaging, which revealed a conspicuous BHB signal. We have also obtained follow-up spectroscopy using AAOmega on the AAT, identifying 159 member stars, and we used them to measure the dwarf’s systemic velocity, 290.9 ± 0.5 km s−1, its velocity dispersion, 5.7 ± 1.1 km s−1, and mean metallicity, [Fe/H] = −1.4. From these properties we conclude that Antlia 2 inhabits one of the least dense dark matter (DM) haloes probed to date. Dynamical modelling and tidal-disruption simulations suggest that a combination of a cored DM profile and strong tidal stripping may explain the observed properties of this satellite. The origin of this core may be consistent with aggressive feedback, or may even require alternatives to cold dark matter (such as ultra-light bosons).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Valence, charge transfer, and orbital-dependent correlation in bilayer nickelates Nd 3 Ni 2 O 7

We examine the bulk electronic structure of Nd 3 Ni 2 O 7 using Ni 2 p core-level hard x-ray photoemission spectroscopy combined with density functional theory + dynamical mean-field theory. Our results reveal a large deviation of the Ni 3 d occupation from the formal Ni 2.5 + valency, highlighting the importance of the charge transfer from oxygen ligands. We find that the dominant d 8 configuration is accompanied by nearly equal contributions from d 7 and d 9 states, exhibiting an unusual valence state among Ni-based oxides. Finally, we discuss the Ni d x 2 − y 2 and d z 2 orbital-dependent hybridization, correlation and local spin dynamics. Published by the American Physical Society 2025

Takegami, Daisuke (ORCID:0000000338321849)↗
DOE OSTI2023

Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2

Methanobactins (MBs) are ribosomally produced and post-translationally modified peptides (RiPPs) that are used by methanotrophs for copper acquisition. The signature post-translational modification of MBs is the formation of two heterocyclic groups, either an oxazolone, pyrazinedione or imidazolone group, with an associated thioamide from an X -Cys dipeptide. The precursor peptide (MbnA) for MB formation is found in a gene cluster of MB-associated genes. The exact biosynthetic pathway of MB formation is not yet fully understood, and there are still uncharacterized proteins in some MB gene clusters, particularly those that produce pyrazinedione or imidazolone rings. One such protein is MbnF, which is proposed to be a flavin monooxygenase (FMO) based on homology. To help to elucidate its possible function, MbnF from Methylocystis sp. strain SB2 was recombinantly produced in Escherichia coli and its X-ray crystal structure was resolved to 2.6 Å resolution. Based on its structural features, MbnF appears to be a type A FMO, most of which catalyze hydroxylation reactions. Preliminary functional characterization shows that MbnF preferentially oxidizes NADPH over NADH, supporting NAD(P)H-mediated flavin reduction, which is the initial step in the reaction cycle of several type A FMO enzymes. It is also shown that MbnF binds the precursor peptide for MB, with subsequent loss of the leader peptide sequence as well as the last three C-terminal amino acids, suggesting that MbnF might be needed for this process to occur. Finally, molecular-dynamics simulations revealed a channel in MbnF that is capable of accommodating the core MbnA fragment minus the three C-terminal amino acids.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Characterization of elastic mechanical properties of Tuscaloosa Marine Shale from well logs using the vertical transversely isotropic model

To avoid steep declines in the Tuscaloosa Marine Shale (TMS) production, wells are fracture-stimulated to release the hydrocarbons trapped in the matrix of the formation. An accurate estimation of Young’s modulus and Poisson’s ratio is essential for hydraulic fracture propagation. In addition, ignoring the highly heterogeneous and anisotropic character of TMS can lead to erroneous stress values, which subsequently affect hydraulic fracture width estimates and the overall hydraulic fracturing process. We have developed an empirical 1D geomechanical model that takes into account VTI anisotropy, and it is used to characterize the elastic mechanical properties of TMS in two wells. In the analyzed formation, the vertical Poisson’s ratio is less than the horizontal Poisson’s ratio, which suggests the necessity of an alternative to the ANNIE equations. The stiffness coefficients [Formula: see text] and [Formula: see text] were estimated using the relationships developed from the ultrasonic core data available for the two TMS. Further, correlations between the static and dynamic properties from laboratory tests were used to improve the minimum horizontal stress calculation. We compare VTI Young’s moduli, Poisson’s ratios, and minimum horizontal stress with the isotropic solution. VTI modeling improves the estimation of the elastic mechanical properties. The isotropic solution underestimates the minimum horizontal stress in the formation. Moreover, it was shown that the 20 ft shale interval below the TMS base is characterized by a low Young’s modulus (the vertical Young’s modulus is equal to 20 GPa, whereas the horizontal Young’s modulus is equal to 40 GPa) and may be a frac barrier.

Geochemistry & Geophysics↗
DOE OSTI2025

Leveraging High-resolution Molecular Composition of Soil Organic Matter to Enhance Carbon Cycling Modeling

Soils store more carbon than the atmosphere and vegetation combined, yet Earth system models still struggle to predict how this vast reservoir will respond to environmental change. A central limitation is that most soil biogeochemical models represent organic matter using bulk conceptual pools or chemically homogeneous fractions, preventing direct use of rapidly expanding molecular-scale datasets. Here we develop and test a new soil decomposition framework that explicitly integrates high-resolution information on organic matter composition. First, we construct a molecularly informed litter decomposition module in which plant inputs are partitioned into five functional compound classes—carbohydrates, proteins, lignin-like aromatics, lipids, and carbonyls—using a molecular mixing model calibrated to solid-state 13 C Nuclear Magnetic Resonance (NMR) spectra. Class-specific kinetics, lignin-dependent physical protection, and substrate-driven microbial carbon use efficiency allow the module to capture metabolic tradeoffs associated with enzyme production and nutrient limitation. We then embed this litter module within a microbially explicit whole-soil model that tracks the transformation of these compound classes through particulate organic matter, dissolved organic matter, mineral-associated organic matter, and microbial biomass. High-resolution Fourier Transform Ion Cyclotron Resonance mass spectrometry (FTICR-MS) data are used to link internal pools to measurable soil organic matter fractions and to constrain key process parameters. Applications at soil-core and ecosystem scales demonstrate that the new model reproduces observed soil respiration dynamics while providing mechanistic attribution of CO 2 fluxes to specific chemical classes and pools. Compared to existing frameworks such as the Community Land Model soil biogeochemistry module and the Millennial model, our approach maintains competitive predictive skill while substantially improving interpretability and opportunities for data–model integration. This work illustrates a viable pathway for leveraging molecular-scale observations to reduce structural uncertainty in soil carbon–climate feedback projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Assessment of Multi-Scale Thermal-Hydraulic Codes and Models for DNB Challenge Problem Applications

The objectives of this milestone work are to assess the improved capabilities of the multi-scale thermal-hydraulic (T/H) codes and models developed by the Consortium for Advanced Simulation of Light Water Reactors (CASL) for Departure from Nucleate Boiling (DNB) Challenge Problem (CP), in accordance with the DNB CP implementation plan. The multi-scale models can range from fine mesh Computational Fluid Dynamics (CFD) simulation of flow field surrounding a fuel rod to a full core modeling of a Pressurized Water Reactor (PWR). The assessments are performed based on the CASL subchannel code COBRA-TF (CTF) and the CFD code Hydra-TH. Significant improvements have been achieved on the CASL multi-scale T/H code and modeling capabilities based on the CTF subchannel code and the Hydra-TH CFD code in the past year for DNB CP applications. The improvements are reflected in the new transient modeling for the Reactivity Insertion Accident (RIA) DNB predictions and full assembly modeling using the CTF code and its processor, as well as the rod bundle modeling for single-phase flow and heat transfer simulations using the Hydra-TH code, the pre-processor for mesh generation and the post-processor for data visualization.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2016

STRUCTURAL STUDIES OF EIGHT BRIGHT RIMMED CLOUDS IN THE SOUTHERN HEMISPHERE

We carried out deep- and wide-field near- and mid-infrared observations for a sample of eight bright-rimmed clouds (BRCs). Supplemented with the Spitzer archival data, we have identified and classified 44 to 433 young stellar objects (YSOs) associated with these BRCs. The Class I sources are generally located toward the places with higher extinction and are relatively closer to each other than the Class II sources, confirming that the young protostars are usually found in regions with denser molecular material. On the other hand the comparatively older population, Class II objects, are more randomly found throughout the regions, which can be due to their dynamical evolution. Using the minimal sampling tree analyses, we have extracted 13 stellar cores of eight or more members, which contain 60% of the total YSOs. The typical core is ∼0.6 pc in radii and somewhat elongated (aspect ratio of 1.45), of relatively low stellar density (surface density 60 pc{sup −2}), consisting of a small (35) number of YSOs of relatively young sources (66% Class I), and partially embedded (median A{sub K} = 1.1 mag). But the cores show a wide range in their mass distribution (∼20 to 2400 M {sub ⊙}), with a median value of around 130 M {sub ⊙}. We found the star-formation efficiencies in the cores to be between 3% and 30% with an average of ∼14%, which agrees with the efficiencies needed to link the core mass function to the initial mass function. We also found a linear relation between the density of the clouds and the number of YSOs. The peaked nearest neighbor spacing distributions of the YSOs and the ratio of Jeans lengths to the YSO separations indicates a significant degree of non-thermally driven fragmentation in these BRCs.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

r-process nucleosynthesis in dynamic helium-burning environments

The results of an extended examination of r-process nucleosynthesis in helium-burning enviroments are presented. Using newly calculated nuclear rates, dynamical r-process calculations have been made of thermal runaways in helium cores typical of low-mass stars and in the helium zones of stars undergoing supernova explosions. These calculations show that, for a sufficient flux of neutrons produced by the C-13 neutron source, r-process nuclei in solar proportions can be produced. The conditions required for r-process production are found to be 10 to the 20th-10 to the 21st neutrons per cubic centimeter for times of 0.01-0.1 s and neutron number densities in excess of 10 to the 19th per cubic centimeter for times of about 1 s. The amount of C-13 required is found to be exceedingly high - larger than is found to occur in any current stellar evolutionary model. It is thus unlikely that these helium-burning environments are responsible for producing the bulk of the r-process elements seen in the solar system.

Cowan, J. J.↗
NASA NTRS1990

Specification goals for a Mars seismic network

A seismic network on Mars should have enough stations (e.g., 24) to characterize the seismicity of the planet for comparison with a diversity of structural features; be comprised of low noise stations, preferably underground, 3 to 4 orders of magnitude more sensitive than those used on Viking; record over a sufficient band-width (DC-30 Hz) to detect micro-earthquakes to normal modes; and record for a sufficient duration (10 years) and data rate (10(exp 8) Mb/day/station) to obtain a data set comparable to that from the Apollo mission to the Moon so that locations of major internal boundaries can be inferred, such as those in the Earth, i.e., crust - lithosphere - asthenosphere - upper - lower phase transitions - outer - inner core. The proposed Mars Global Network Mission provides an opportunity to sense the dynamics and probe the interior of the planet. The seismic objectives, the availability of the instrumentation and trade-offs to meet them are discussed.

Davis, Paul M.↗
NASA NTRS1991

A parallel trajectory optimization tool for aerospace plane guidance

A parallel trajectory optimization algorithm is being developed. One possible mission is to provide real-time, on-line guidance for the National Aerospace Plane. The algorithm solves a discrete-time problem via the augmented Lagrangian nonlinear programming algorithm. The algorithm exploits the dynamic programming structure of the problem to achieve parallelism in calculating cost functions, gradients, constraints, Jacobians, Hessian approximations, search directions, and merit functions. Special additions to the augmented Lagrangian algorithm achieve robust convergence, achieve (almost) superlinear local convergence, and deal with constraint curvature efficiency. The algorithm can handle control and state inequality constraints such as angle-of-attack and dynamic pressure constraints. Portions of the algorithm have been tested. The nonlinear programming core algorithm performs well on a variety of static test problems and on an orbit transfer problem. The parallel search direction algorithm can reduce wall clock time by a factor of 10 for this part of the computation task.

Psiaki, Mark L.↗
NASA NTRS1994

Measuring track densities in lunar grains using image analysis

We have used digitized scanning electron micrographs and computer image analysis programs to measure track densities in lunar soil grains. Tracks were formed by highly ionizing solar energetic particles and cosmic rays. Back-scattered electron images produced suitable high contrast images for analysis. We used computer counting and measurement of area to obtain track densities. We found an excellent correlation with manual measurements for track densities below 1x10(exp 8) cm(exp -2). For track densities between 1x10(exp 8) to 1x10(exp 9) cm(exp -2) we found that a regression formula using the percentage area covered by tracks gave good agreement with manual measurements. Measurement of tract densities in lunar samples has been a very rewarding technique for measuring exposure ages and soil maturation processes. We have shown that we can reliably measure track densities in lunar grains using image analysis techniques. Automating track counting may allow application of this technique to important problems in regolith dynamics including the ratio of radiation exposure to reworking in various surface and core samples and in regolith breccias.

Blanford, G. E.↗
NASA NTRS1994

Imaging spectroscopy of the solar CO lines at 4.67 microns

We analyze spatially and temporally resolved spectra of the fundamental vibration-rotation transitions of carbon monoxide (CO) in the solar spectrum at 4.67 micrometers. Our observations imply that, in the quiet Sun, spatial variations in CO intensity are largely dynamical in nature, reinforcing the suggestion that dynamical effects play a key role in the formation of the dark CO cores. Time sequences of resolved spectra exhibit mainly 3 minute power in line-core intensity but mainly a 5 minute period in Doppler shift. The weak 7-6 R68 line shows normal Evershed flow in the penumbra of a sunspot; we find evidence for the onset of inverse Evershed flow in the strong 3-2 R14 line. Spectra at the limb indicate that 3-2 R14 emission extends approximately 360 km beyond the continuum limb.

Uitenbroek, Han↗
NASA NTRS2001

Hypervelocity Capability of the HYPULSE Shock-Expansion Tunnel for Scramjet Testing

New hypervelocity capabilities for scramjet testing have recently been demonstrated in the HYPULSE Shock-Expansion Tunnel (SET). With NASA's continuing interests in scramjet testing at hypervelocity conditions (Mach 12 and above), a SET nozzle was designed and added to the HYPULSE facility. Results of tests conducted to establish SET operational conditions and facility nozzle calibration are presented and discussed for a Mach 15 (M15) flight enthalpy. The measurements and detailed computational fluid dynamics calculations (CFD) show the nozzle delivers a test gas with sufficiently wide core size to be suitable for free-jet testing of scramjet engine models of similar scale as, those tested in conventional low Mach number blow-down test facilities.

Foelsche, Robert O.↗