Search NASA⌕ Search

SEARCH · Search NASA

Results for “FUNCTIONAL MODELS”

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 433 records · Page 24

Monte-Carlo Approach to Calculating the Fragmentation Functions in NJL-Jet Model

Recent studies of the fragmentation functions using the Nambu-Jona-Lasinio (NJL)-Jet model have been successful in describing the quark fragmentation functions to pions and kaons. The NJL-Jet model employs the integral equation approach to solve for the fragmentation functions in quark-cascade description of the hadron emission process, where one assumes that the initial quark has infinite momentum and emits an infinite number of hadrons. Here we introduce a Monte Carlo (MC) simulation method to solve for the fragmentation functions, that allows us to relax the above mentioned approximations. We demonstrate that the results of MC simulations closely reproduce the solutions of the integral equations in the limit where a large number of hadrons are emitted in the quark cascade. The MC approach provides a strong foundation for the further development of the NJL-Jet model that might include many more hadronic emission channels with decays of the possible produced resonances, as well as inclusion of the transverse momentum dependence (TMD), all of which are of considerable importance to the experimental studies of the transverse structure of hadrons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Crystal Plasticity Modeling and Experimental Validation with an Orientation Distribution Function for Ti-7Al Alloy

An orientation distribution function based model is used for micromechanical modeling of the titanium-aluminum alloys, Ti-0 wt % Al and Ti-7 wt % Al, which are in demand for many aerospace applications. This probability descriptor based modeling approach is different than crystal plasticity finite element techniques since it computes the averaged material properties using upper bound averaging. A rate-independent single-crystal plasticity model is implemented to compute the effect of macroscopic strain on the polycrystal. An optimization problem is defined for calibrating the basal, prismatic, pyramidal slip system and twin parameters using the available tension and compression experimental data. The crystal plasticity parameters of Ti-7 wt % Al are not studied extensively in literature, and therefore the optimization results for the crystal plasticity model realization produce unique data, which will be beneficial to future studies in the field. The sensitivities of the slip and twin parameters to the design objectives are also investigated to identify the most critical slip system parameters. Using the optimum design parameters, the microstructural textures, during the tension test, are predicted by the crystal plasticity finite element simulations, and compared to the available experimental texture and scanning electron microscope—digital image correlation data.

36 MATERIALS SCIENCE↗

A perturbative approach to the redshift space correlation function: beyond the Standard Model

We extend our previous redshift space power spectrum code to the redshift space correlation function. Here we focus on the Gaussian Streaming Model (GSM). Again, the code accommodates a wide range of modified gravity and dark energy models. For the non-linear real space correlation function used in the GSM we use the Fourier transform of the RegPT 1-loop matter power spectrum. We compare predictions of the GSM for a Vainshtein screened and Chameleon screened model as well as GR. These predictions are compared to the Fourier transform of the Taruya, Nishimichi and Saito (TNS) redshift space power spectrum model which is fit to N-body data. We find very good agreement between the Fourier transform of the TNS model and the GSM predictions, with ≤ 6% deviations in the first two correlation function multipoles for all models for redshift space separations in 50Mpc h ≤ s ≤ 180Mpc/ h . Excellent agreement is found in the differences between the modified gravity and GR multipole predictions for both approaches to the redshift space correlation function, highlighting their matched ability in picking up deviations from GR. We elucidate the timeliness of such non-standard templates at the dawn of stage-IV surveys and discuss necessary preparations and extensions needed for upcoming high quality data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A Multi-Function AAA Algorithm Applied to Frequency-Dependent Line Modeling: Preprint

We present a new multi-input rational approximation algorithm (MIAAA) and illustrate its advantages respect to the popular Vector Fitting (VF) algorithm using examples of approximations of admittance matrices discussed in a very recent paper and by the creators of VF. We show that not only MIAAA outperforms VF in terms of achieving better accuracy using a smaller number of poles, but also has no numerical issues to achieve convergence. In contrast to VF, MIAA is not sensitive to the location of input sample points and it does not require good estimates for the location of the desired approximation poles.

97 MATHEMATICS AND COMPUTING↗

Dry Deposition Methods Based on Turbulence Kinetic Energy: 1. Evaluation of Various Resistances and Sensitivity Studies Using a Single‐Point Model

Different functions are used to account for turbulence strength in the atmospheric boundary layer for different stability regimes. These functions are one of the sources for differences among different atmospheric models' predictions and associated biases. Also, turbulence strength is underrepresented in some of the resistance formulations. Here, to address these issues with dry deposition, firstly we take advantage of three‐dimensional (3‐D) turbulence information in estimating resistances by proposing and validating a 3‐D turbulence velocity scale that is relevant for different stability regimes of boundary layer. Secondly, we hypothesize and validate that friction velocity measured by 3‐D sonic anemometer can be effectively replaced by the new turbulence velocity scale multiplied by the von Karman constant. Finally, we (a) present a set of resistance formulations for ozone (O 3 ) based on the 3‐D turbulence velocity scale; (b) intercompare estimations of such resistances with those obtained using existing formulations; and, (c) evaluate simulated O 3 fluxes using a single‐point dry deposition model against long‐term observations of O 3 fluxes at the Harvard Forest (MA) site. Results indicate that the new resistance formulations work very well in simulating surface latent heat and O 3 fluxes when compared to respective existing formulations and measurements at a decadal time scale. Findings from this research may help to improve the capability of dry deposition schemes for better estimation of dry deposition fluxes and create opportunities for the development of a community dry deposition model for use in regional/global air quality models.

54 ENVIRONMENTAL SCIENCES↗

A Green's function quantum average atom model

A quantum average atom model is reformulated using Green's functions. This allows integrals along the real energy axis to be deformed into the complex plane. The advantage being that sharp features such as resonances and bound states are broadened by a Lorentzian with a half-width chosen for numerical convenience. An implementation of this method therefore avoids numerically challenging resonance tracking and the search for weakly bound states, without changing the physical content or results of the model. A straightforward implementation results in up to a factor of 5 speed-up relative to an optimized orbital based code.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Hopf bifurcation of a delayed chemostat model with general monotone response functions

In this paper, a chemostat model with general monotone response functions and two discrete time delays is proposed to describe the dynamical behavior about predator–prey system. First, by analyzing the characteristic equation associated with the model, we obtain the conditions of the existence and stability of extinction equilibrium and positive equilibrium. Choosing delays as bifurcation parameters, the existence of Hopf bifurcations is investigated in detail. Second, by virtue of the Poincaré normal form method and center manifold theorem, explicit formulas are derived to determine the direction of Hopf bifurcation and the stability of the bifurcating periodic solutions. Finally, some numerical simulations are carried out to illustrate the theoretical results and the biological significance.

97 MATHEMATICS AND COMPUTING↗

Using the Diffusion Equation to Predict CST Resin Breakthroughs - 19051

The crystalline silicotitanate, CST, resin manufactured by UOP Honeywell is well-suited for single-use decontamination of caustic liquid wastes at Hanford and Savannah River Sites. There are many measurements of column loading and breakthrough for CST resin decontamination of Cs-137 in various Hanford and SRS waste simulants. Such measurements provide a very good basis for estimating CST resin demand and these more refined predictions make the CST column loading as efficient as possible given the very expensive CST resin. Although there are a variety of tools for predicting chromatographic resin column performance, [1-4], there is a particularly useful method that is suitable as a simple spreadsheet model [4]. This spreadsheet model is an analytical error function for the mass transfer zone (mtz) diffusion width in resin columns and is well-suited for resin breakthrough and column loading. This paper describes just such an error function spreadsheet model and how well the error function agrees with more traditional models and fits the observed small scale breakthrough curves for CST that can then better predict large scale column loading efficiency. The very high sorption of Cs onto CST tends to be slower than that of other lower sorption resins and as a result of the slow CST kinetics, there is also a marked asymmetry in many CST breakthrough curves. The CST breakthrough asymmetry is largely due to the distribution of CST particle sizes because smaller particles sorb much faster than larger particles. It is then the smaller particles that determine the leading mtz at a decontamination factor of 1,000 breakthrough and therefore the decontamination efficiency for a given loading. The larger CST particles correspondingly determine the tailing mtz width and therefore the overall loading efficiency and it is important to model both leading and tailing mtz widths to best optimize CST for a particular Cs-137 decontamination application. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Microalgal Metabolic Network Model Refinement through High-Throughput Functional Metabolic Profiling

Metabolic modeling provides the means to define metabolic processes at a systems level; however, genome-scale metabolic models often remain incomplete in their description of metabolic networks and may include reactions that are experimentally unverified. This shortcoming is exacerbated in reconstructed models of newly isolated algal species, as there may be little to no biochemical evidence available for the metabolism of such isolates. The phenotype microarray (PM) technology (Biolog, Hayward, CA, USA) provides an efficient, high-throughput method to functionally define cellular metabolic activities in response to a large array of entry metabolites. The platform can experimentally verify many of the unverified reactions in a network model as well as identify missing or new reactions in the reconstructed metabolic model. The PM technology has been used for metabolic phenotyping of non-photosynthetic bacteria and fungi, but it has not been reported for the phenotyping of microalgae. Here, we introduce the use of PM assays in a systematic way to the study of microalgae, applying it specifically to the green microalgal model species Chlamydomonas reinhardtii. The results obtained in this study validate a number of existing annotated metabolic reactions and identify a number of novel and unexpected metabolites. The obtained information was used to expand and refine the existing COBRA-based C. reinhardtii metabolic network model iRC1080. Over 254 reactions were added to the network, and the effects of these additions on flux distribution within the network are described. The novel reactions include the support of metabolism by a number of d-amino acids, l-dipeptides, and l-tripeptides as nitrogen sources, as well as support of cellular respiration by cysteamine-S-phosphate as a phosphorus source. The protocol developed here can be used as a foundation to functionally profile other microalgae such as known microalgae mutants and novel isolates.

60 APPLIED LIFE SCIENCES↗

Model Analysis ToolKit

MATK provides basic functionality to facilitate model analysis within the Python computational environment. Model analysis setup within MATK includes: - define parameters - define observations - define model (python function) - define samplesets (sets of parameter combinations) Currently supported functionality includes: - forward model runs - Latin-Hypercube sampling of parameters - multi-dimensional parameter studies - parallel execution of parameter samples - model calibration using internal Levenberg-Marquardt algorithm - model calibration using lmfit package - model calibration using levmar package - Markov Chain Monte Carlo using pymc package MATK facilitates model analysis using: - scipy - calibration (scipy.optimize) - rpy2 - Python interface to R

Harp, DylanR.↗

Model Analysis ToolKit

MATK provides basic functionality to facilitate model analysis within the Python computational environment. Model analysis setup within MATK includes: - define parameters - define observations - define model (python function) - define samplesets (sets of parameter combinations) Currently supported functionality includes: - forward model runs - Latin-Hypercube sampling of parameters - multi-dimensional parameter studies - parallel execution of parameter samples - model calibration using internal Levenberg-Marquardt algorithm - model calibration using lmfit package - model calibration using levmar package - Markov Chain Monte Carlo using pymc package MATK facilitates model analysis using: - scipy - calibration (scipy.optimize) - rpy2 - Python interface to R

Harp, Dylan R.↗

CYRANO3 the EDF fuel code performance: Global overview and recent developments on MOX fuel

CYRANO3 is the thermal mechanical industrial code developed and used by EDF to simulate the nuclear fuel rod performance in pile, and during the disposal storage period as well. This code has already been used successfully for the last ten years by the EDF engineering teams in justifying the overall reloading options covering various fuels: UO{sub 2}, UO{sub 2} + gadolinium, MOX, UO{sub 2} plus additives, and various cladding as well proposed by the nuclear fuel suppliers. Its particularity is related to a construction around a standard one-dimensional thermal and mechanical finite elements kernel with an appropriate architecture to plug in any new functionalities or models. Since the beginning it is developed as a module able integrating within a core calculation chain. Other constrain is to always guaranty a running time consistent with the calculation of a core within a reasonable time. The objective is to provide the EDF designers with a convivial and qualified code, with robust algorithms and able to quickly evolve with computer performances. Algorithms are able to account for adiabatic transients and are robust enough to avoid any undesirable overflows. The permanent challenge is indeed to provide with the more descriptive simulations not degrading to much the running time. Developments are obviously performed within the strict Quality Insurance rules. The code is then associated to a large documentation base, including model specification, realization, validation and test procedures. Maintenance is managed through a system of anomaly and improvement forms. Computers are still evolving quickly. Therefore, after an architecture adaptation, the CYRANO3 code is now integrated in the PLEIADES platform as a PWR industrial application. The platform is an exchange space allowing sharing functionalities, models and properties. In this paper, we will give a global overview of the capabilities of CYRANO3 code to simulate the thermomechanical behavior of fuel rods, and we will focus on recent developments realized on MOX fuel. In CYRANO3 code, heterogeneous models (neutronic model, micromechanical behavior law and fission gas model) are developed for MOX fuels and integrated in order to account for differential evolutions between phases under irradiation. The methodology and these models are presented in this paper. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

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↗

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↗

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↗

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↗