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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

The Sensitivity of Chemical Kinetic Models on Flame Transfer Functions in High Frequency Acoustic Fluctuation Environments

This paper investigates how different chemical kinetics models are able to capture the dynamics of laminar premixed methane/air flames. In particular, this paper computes flame transfer functions and compares the performance of different global kinetic models as well as detailed kinetic models. This is accomplished using a sequence of one-dimensional incompressible simulations implemented in OpenFOAM. The detailed GRI Mech 3.0 is used as a baseline for comparison. Detailed kinetic analysis will be conducted to understand the underlying kinetics-dynamics coupling.

Girdhar, Anant↗
DOE OSTI2013

A no extensive statistical model for the nucleon structure function

We studied an application of nonextensive thermodynamics to describe the structure function of nucleon, in a model where the usual Fermi-Dirac and Bose-Einstein energy distribution were replaced by the equivalent functions of the q-statistical. The parameters of the model are given by an effective temperature T, the q parameter (from Tsallis statistics), and two chemical potentials given by the corresponding up (u) and down (d) quark normalization in the nucleon.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Inhibition of the mitochondrial calcium uniporter prevents IL-13 and allergen-mediated airway epithelial apoptosis and loss of barrier function

Highlights: • IL-13 promotes mitochondrial matrix Ca{sup 2+} uptake, ROS production and apoptosis in respiratory epithelium. • MCU inhibition blocks mitochondrial ROS production and membrane depolarization. • MCU inhibition prevents apoptosis and epithelial barrier dysfunction. • Inhibition of MCU reduces allergen-mediated epithelial cell death in vivo. Mitochondria are increasingly recognized as key mediators of acute cellular stress responses in asthma. However, the distinct roles of regulators of mitochondrial physiology on allergic asthma phenotypes are currently unknown. The mitochondrial Ca{sup 2+} uniporter (MCU) resides in the inner mitochondrial membrane and controls mitochondrial Ca{sup 2+} uptake into the mitochondrial matrix. To understand the function of MCU in models of allergic asthma, in vitro and in vivo studies were performed using models of functional deficiency or knockout of MCU. In primary human respiratory epithelial cells, MCU inhibition abrogated mitochondrial Ca{sup 2+} uptake and reactive oxygen species (ROS) production, preserved the mitochondrial membrane potential and protected from apoptosis in response to the pleiotropic Th2 cytokine IL-13. Consequently, epithelial barrier function was maintained with MCU inhibition. Similarly, the endothelial barrier was preserved in respiratory epithelium isolated from MCU-/- mice after exposure to IL-13. In the ovalbumin-model of allergic airway disease, MCU deficiency resulted in decreased apoptosis within the large airway epithelial cells. Concordantly, expression of the tight junction protein ZO-1 was preserved, indicative of maintenance of epithelial barrier function. These data implicate mitochondrial Ca{sup 2+} uptake through MCU as a key controller of epithelial cell viability in acute allergic asthma.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

A COSMIC COINCIDENCE: THE POWER-LAW GALAXY CORRELATION FUNCTION

We model the evolution of galaxy clustering through cosmic time to investigate the nature of the power-law shape of {xi}(r), the galaxy two-point correlation function. While {xi}(r) at large scales is set by primordial fluctuations, departures from a power law are governed by galaxy pair counts at small scales, subject to nonlinear dynamics. We assume that galaxies reside within dark matter halos and subhalos. Therefore, the shape of the correlation function at small scales depends on the amount of halo substructure. We use a semi-analytic substructure evolution model to study subhalo populations within host halos. We find that tidal mass loss and, to a lesser extent, dynamical friction dramatically deplete the number of subhalos within larger host halos over time, resulting in a {approx}90% reduction by z = 0 compared to the number of distinct mergers that occur during the assembly of a host halo. We show that these nonlinear processes resulting in this depletion are essential for achieving a power law {xi}(r). We investigate how the shape of {xi}(r) depends on subhalo mass (or luminosity) and redshift. We find that {xi}(r) breaks from a power law at high masses, implying that only galaxies of luminosities {approx}< L{sub *} should exhibit power-law clustering. Moreover, we demonstrate that {xi}(r) evolves from being far from a power law at high redshift, toward a near power-law shape at z = 0. We argue that {xi}(r) will once again evolve away from a power law in the future. This is in large part caused by the evolving competition between the accretion and destruction rates of subhalos over time, which happen to strike just the right balance at z {approx} 0. We then investigate the conditions required for {xi}(r) to be a power law in a general context. We use the halo model, along with simple parameterizations of the halo occupation distribution, to probe galaxy occupation at various masses and redshifts. We show that the key ingredients determining the shape of {xi}(r) are the fraction of galaxies that are satellites, the relative difference in mass between the halos of isolated galaxies and halos that contain a single satellite on average, and the rareness of halos that host galaxies. These pieces are intertwined and we find no simple, universal rule for which a power law {xi}(r) will occur. However, we do show that the physics responsible for setting the galaxy content of halos do not care about the conditions needed to achieve a power law {xi}(r) and that these conditions are met only in a narrow mass and redshift range. We conclude that the power-law nature of {xi}(r) for L{sub *} and fainter galaxy samples at low redshift is a cosmic coincidence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

Analyzing Unfavored Fragmentation Functions Using NJL-Jet Model

The Nambu-Jona-Lasinio (NJL)-jet model provides a sound framework for calculating the fragmentation functions in an effective chiral quark theory, where the momentum and isospin sum rules are satisfied without the introduction of ad hoc parameters. The most recent version of the model includes the fragmentation of the light and strange quarks to pions, kaons, nucleons, and antinucleons; where the effects of the production of secondary pions and kaons from the vector mesons {rho}, K* and {phi} are also calculated. The results for the model fragmentation function exhibit a qualitative agreement with the empirical parameterizations. The results also allow to test, within the model assumptions, several assumption in parametrizations of the unfavored fragmentation functions used in empirical fits to the experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2012

RECONSTRUCTING THE NEAR-INFRARED BACKGROUND FLUCTUATIONS FROM KNOWN GALAXY POPULATIONS USING MULTIBAND MEASUREMENTS OF LUMINOSITY FUNCTIONS

We model fluctuations in the cosmic infrared background (CIB) arising from known galaxy populations using 233 measured UV, optical, and near-IR luminosity functions (LFs) from a variety of surveys spanning a wide range of redshifts. We compare best-fit Schechter parameters across the literature and find clear indication of evolution with redshift. Providing fitting formulae for the multi-band evolution of the LFs out to z {approx} 5, we calculate the total emission redshifted into the near-IR bands in the observer frame and recover the observed optical and near-IR galaxy counts to good accuracy. Our empirical approach, in conjunction with a halo model describing the clustering of galaxies, allows us to compute the fluctuations of the unresolved CIB and compare the models to current measurements. We find that fluctuations from known galaxy populations are unable to account for the large-scale CIB clustering signal seen by Spitzer/IRAC and AKARI/IRC and continue to diverge out to larger angular scales. This holds true even if the LFs are extrapolated out to faint magnitudes with a steep faint-end slope all the way to z = 8. We also show that removing resolved sources to progressively fainter magnitude limits isolates CIB fluctuations to increasingly higher redshifts. Our empirical approach suggests that known galaxy populations are not responsible for the bulk of the fluctuation signal seen in the measurements and favors a very faint population of highly clustered sources.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Infrasound Predictions Using the Weather Research and Forecasting Model: Atmospheric Green's Functions for the Source Physics Experiments 1-6.

This report shows the results of constructing predictive atmospheric models for the Source Physics Experiments 1-6. Historic atmospheric data are combined with topography to construct an atmo- spheric model that corresponds to the predicted (or actual) time of a given SPE event. The models are ultimately used to construct atmospheric Green's functions to be used for subsequent analysis. We present three atmospheric models for each SPE event: an average model based on ten one- hour snap shots of the atmosphere and two extrema models corresponding to the warmest, coolest, windiest, etc. atmospheric snap shots. The atmospheric snap shots consist of wind, temperature, and pressure profiles of the atmosphere for a one-hour time window centered at the time of the predicted SPE event, as well as nine additional snap shots for each of the nine preceding years, centered at the time and day of the SPE event.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Energy–density functional plus quasiparticle–phonon model theory as a powerful tool for nuclear structure and astrophysics

During the last decade, a theoretical method based on the energy–density functional theory and quasiparticle–phonon model, including up to three-phonon configurations was developed. The main advantages of themethod are that it incorporates a self-consistentmean-field and multi-configuration mixing which are found of crucial importance for systematic investigations of nuclear low-energy excitations, pygmy and giant resonances in an unified way. In particular, the theoretical approach has been proven to be very successful in predictions of new modes of excitations, namely pygmy quadrupole resonance which is also lately experimentally observed. Recently, our microscopically obtained dipole strength functions are implemented in predictions of nucleon-capture reaction rates of astrophysical importance. A comparison to available experimental data is discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2010

Modeling the Noble Metal/TiO2 (110) Interface with Hybrid DFT Functionals: A Periodic Electrostatic Embedded Cluster Model Study

The interaction of Aun and Ptn (n=2,3) clusters with the stoichiometric and partially reduced rutile TiO2 (110) surfaces has been investigated using periodic slab and periodic electrostatic embedded cluster models. Compared to Au clusters, Pt clusters interact strongly with both stoichiometric and reduced TiO2 (110) surfaces and are able to enhance the reducibility of the TiO2 (110) surface, i.e., reduce the oxygen vacancy formation energy. The focus of this study is the effect of Hartree–Fock exchange on the description of the strength of chemical bonds at the interface of Au/Pt clusters and the TiO2 (110) surface. Hartree–Fock exchange helps describing the changes in the electronic structures due to metal cluster adsorption as well as their effect on the reducibility of the TiO2 surface. Finally, the performance of periodic embedded cluster models has been assessed by calculating the Pt adsorption and oxygen vacancy formation energies. Cluster models, together with hybrid PBE0 functional, are able to efficiently compute reasonable electronic structures of the reduced TiO2 surface and predict charge localization at surface oxygen vacancies, in agreement with the experimental data, that significantly affect computed adsorption and reaction energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

A Green's Function Wind Turbine Induction Model That Incorporates Complex Inflow Conditions

ABSTRACT In this work, we develop a new analytical turbine induction model that can incorporate complex inflow conditions including cases where the wind velocity and temperature profiles can vary as functions of height. This induction model is derived from the linearized Navier–Stokes and leads to a second‐order ODE that can be solved using a Green's function formulation. The corresponding Green's function for several configurations are found including the infinite domain, semi‐infinite domain with ground plane, and a power law velocity inflow profile. The results of this approach are then compared with simulations of the turbine induction field using the AMR‐Wind CFD solver with a uniformly loaded actuator disk model. These comparisons show that the Green's function approach captures the centerline blockage, three‐dimensional blockage flow field, and streamwise velocity slow down, with very good agreement for lower thrust conditions and at larger distances away from rotor disk. The effects of shear on the turbine blockage were also compared using a power law inflow profile, and we show that this approach matches the CFD predictions for the cases considered.

17 WIND ENERGY↗
DOE OSTI2025

On the Stability Analysis of Astrophysical Cooling Functions

To model the temperature evolution of optically thin astrophysical environments at MHD scales, radiative and collisional cooling rates are typically either pretabulated or fit into a functional form and then input into MHD codes as a radiative loss function. Thermal balance requires estimates of the analogous heating rates, which are harder to calculate, and due to uncertainties in the underlying dissipative heating processes these rates are often simply parameterized. The resulting net cooling function defines an equilibrium curve that varies with density and temperature. Such cooling functions can make the gas prone to thermal instability (TI), which will cause departures from equilibrium. There has been no systematic study of thermally unstable parameter space for nonequilibrium states. Motivated by our recent finding that there is a related linear instability, catastrophic cooling instability, that can dominate over TI, here we carry out such a study. We show that Balbus instability criteria for TI can be used to define a critical cooling rate, Λ c , that permits a nonequilibrium analysis of cooling functions through the mapping of TI zones. We furthermore illustrate how thermal conduction modifies the shape of TI zones. Upon applying a Λ c -based stability analysis to coronal loop simulations, we find that loops undergoing periodic episodes of coronal rain formation are linearly unstable to catastrophic cooling instability, while TI is stabilized by thermal conduction.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Models for predicting objective function weights in prostate cancer IMRT

Purpose: To develop and evaluate the clinical applicability of advanced machine learning models that simultaneously predict multiple optimization objective function weights from patient geometry for intensity-modulated radiation therapy of prostate cancer. Methods: A previously developed inverse optimization method was applied retrospectively to determine optimal objective function weights for 315 treated patients. The authors used an overlap volume ratio (OV) of bladder and rectum for different PTV expansions and overlap volume histogram slopes (OVSR and OVSB for the rectum and bladder, respectively) as explanatory variables that quantify patient geometry. Using the optimal weights as ground truth, the authors trained and applied three prediction models: logistic regression (LR), multinomial logistic regression (MLR), and weighted K-nearest neighbor (KNN). The population average of the optimal objective function weights was also calculated. Results: The OV at 0.4 cm and OVSR at 0.1 cm features were found to be the most predictive of the weights. The authors observed comparable performance (i.e., no statistically significant difference) between LR, MLR, and KNN methodologies, with LR appearing to perform the best. All three machine learning models outperformed the population average by a statistically significant amount over a range of clinical metrics including bladder/rectum V53Gy, bladder/rectum V70Gy, and dose to the bladder, rectum, CTV, and PTV. When comparing the weights directly, the LR model predicted bladder and rectum weights that had, on average, a 73% and 74% relative improvement over the population average weights, respectively. The treatment plans resulting from the LR weights had, on average, a rectum V70Gy that was 35% closer to the clinical plan and a bladder V70Gy that was 29% closer, compared to the population average weights. Similar results were observed for all other clinical metrics. Conclusions: The authors demonstrated that the KNN and MLR weight prediction methodologies perform comparably to the LR model and can produce clinical quality treatment plans by simultaneously predicting multiple weights that capture trade-offs associated with sparing multiple OARs.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2010

Heavy Flavor Hadron Molecules

We discuss the interpretation of the open charm mesons D{sub s0}{sup *}(2317), D{sub s1}(2460) and the hidden charm meson X(3872) as hadron molecules. Using a phenomenological Lagrangian approach we consider strong and radiative decays of the D{sub s0}{sup *}(2317) and D{sub s1}(2460) states. The X(3872) is assumed to consist dominantly of molecular hadronic components with an additional small admixture of a charmonium configuration. A potential model based on meson-exchange is able to generate weak binding of the molecular hadronic components. The observed radiative ({gamma}J/{psi} and {gamma}{psi}(2s)) and strong (J/{psi}2{pi} and J/{psi}3{pi}) decays are shown to be consistent with the molecular structure assumption of the X(3872).

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

MEASUREMENT OF INTERMITTENCY OF ANISOTROPIC MAGNETOHYDRODYNAMIC TURBULENCE IN HIGH-SPEED SOLAR WIND

We investigate the intermittency of anisotropic magnetohydrodynamic (MHD) turbulence in high-speed solar wind. Using the data recorded by the Ulysses spacecraft, we apply the Castaing function to model the probability density functions of the fluctuating magnetic field and calculate the magnetic structure functions (SFs) S{sup p} of the order p in the coordinates (r, {Theta}), with r being the length scale and {Theta} the direction of the local mean field. The scaling exponent {zeta}, from S{sup p} (r, {Theta}){proportional_to}r {sup {zeta}(p,{Theta})}, has an anomalous nonlinear dependence on p, implying the intermittent scaling of solar wind turbulence, which has been observed for decades. Furthermore, we study the anisotropy of solar wind turbulence introduced by the strong mean magnetic field. From S{sup p} ({Theta} = 0){proportional_to}S{sup p} ({Theta} = {pi}/2), we obtain r{sub perpendicular{proportional_to}r {sup {alpha}}p||} with {alpha}{sub p} = {zeta}{sub ||}/{zeta}{sub perpendicular} denoting the perpendicular-parallel spatial correlation of the moment of the pth order. For the magnetic field difference {delta}B, we find {alpha}{sub 2} = 1.78 {+-} 0.26, consistent with recent theories and observations. However, when the contribution from the intermittent fluctuations begins to dominate the scaling, {alpha} is not a constant but increases with p, e.g., {alpha}{sub 5} = 1.97 {+-} 0.41 and {alpha}{sub 8} {approx} 2.42 {+-} 0.64. This complication of the perpendicular-parallel spatial correlation due to the intermittency raises new questions for MHD turbulence theory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spectroscopy outperforms leaf trait relationships for predicting photosynthetic capacity across different forest types

Leaf trait relationships are widely used to predict ecosystem function in Terrestrial Biosphere Models (TBMs), in which leaf maximum carboxylation capacity (V c,max ), an important trait for modelling photosynthesis, can be inferred from other easier- to-measure traits. However, whether trait-V c,max relationships are robust across different forest types remains unclear. Here we used measurements of leaf traits, including one morphological trait (leaf mass per area), three biochemical traits (leaf water content, area-based leaf nitrogen content, and leaf chlorophyll content), one physiological trait (V c,max ), as well as leaf reflectance spectra, and explored their relationships within and across three contrasting forest types in China. We found weak and forest type-specific relationships between V c,max and the four morphological and biochemical traits (R 2 ≤ 0.15), indicated by significantly changing slopes and intercepts across forest types. In contrast, reflectance spectroscopy effectively collapsed the differences in the trait-V c,max relationships across three forest biomes into a single robust model for V c,max (R 2 = 0.77), and also accurately estimated the four traits (R 2 = 0.75-0.94). Furthermore, these findings challenge the traditional use of empirical trait-V c,max relationships in TBMs for estimating terrestrial plant photosynthesis, but also highlight spectroscopy as an efficient alternative for characterizing V c,max and multi-trait variability, with critical insights into ecosystem modeling and functional trait ecology.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

SOHIP Abel Transform and Onion Peeling Model Module

This software provides tools for analyzing and modeling physical systems using mathematical transforms and layered models. It includes (1) functions for performing the Abel transform, which is used to relate measurements of bending angles to properties such as refractive index and radius in a medium. The code can compute bending angles from input profiles and also reconstruct these profiles from observed data; (2) the functions for modeling systems with multiple layers using an onion-peeling approach, allowing users to simulate and analyze the behavior of layered materials or structures. These capabilities are useful for researchers and engineers working in fields such as optics, atmospheric science, and materials analysis, enabling them to interpret and model data from experiments or simulations relates to refraction in spherical symmetric medium.

Xu, Shuang [Lawrence Livermore National Laboratory↗
DOE OSTI2021

IMPLEMENTATION OF TURBULENCE MODELING FOR THE COUPLED GRIFFIN-PRONGHORN SIMULATION OF THE MOLTEN SALT FAST REACTOR FOR THE VIRTUAL TEST BED

In support of the Virtual Test Bed (VTB) repository, the Molten Salt Fast Reactor (MSFR) concept is modeled using MOOSE-based tools, notably Griffin and Pronghorn, employing newly implemented initial turbulence models and standard wall functions. The models are adapted to Pronghorn’s spirit of a multidimensional coarse-mesh intermediate fidelity code. Multiphysics simulations of a 2D axisymmetric model of an MSFR are carried out to study the coupling between the different physics.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗