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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Spinful fermionic ladders at incommensurate filling: Phase diagram, local perturbations, and ionic potentials

We study the effect of external potential on transport properties of the fermionic two-leg ladder model. The response of the system to a local perturbation is strongly dependent on the ground state properties of the system and especially on the dominant correlations. We categorize all phases and transitions in the model (for incommensurate filling) and introduce “hopping-driven transitions” that the system undergoes as the inter-chain hopping is increased from zero. We also describe the response of the system to an ionic potential. The physics of this effect is similar to that of the single impurity, except that the ionic potential can affect the bulk properties of the system and in particular induce true long range order. -- Highlights: •We study low temperature electronic properties of a two leg ladder. •We find a wide variety of phase transitions as a function of model parameters. •We study the effect of impurities on these models. •Conductance may be very sensitive to the structure of these impurities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Making Steppingstones out of Stumbling Blocks: A Bayesian Model Evidence Estimator with Application to Groundwater Transport Model Selection

Bayesian model evidence (BME) is a measure of the average fit of a model to observation data given all the parameter values that the model can assume. By accounting for the trade-off between goodness-of-fit and model complexity, BME is used for model selection and model averaging purposes. For strict Bayesian computation, the theoretically unbiased Monte Carlo based numerical estimators are preferred over semi-analytical solutions. This study examines five BME numerical estimators and asks how accurate estimation of the BME is important for penalizing model complexity. The limiting cases for numerical BME estimators are the prior sampling arithmetic mean estimator (AM) and the posterior sampling harmonic mean (HM) estimator, which are straightforward to implement, yet they result in underestimation and overestimation, respectively. We also consider the path sampling methods of thermodynamic integration (TI) and steppingstone sampling (SS) that sample multiple intermediate distributions that link the prior and the posterior. Although TI and SS are theoretically unbiased estimators, they could have a bias in practice arising from numerical implementation. For example, sampling errors of some intermediate distributions can introduce bias. We propose a variant of SS, namely the multiple one-steppingstone sampling (MOSS) that is less sensitive to sampling errors. We evaluate these five estimators using a groundwater transport model selection problem. SS and MOSS give the least biased BME estimation at an efficient computational cost. If the estimated BME has a bias that covariates with the true BME, this would not be a problem because we are interested in BME ratios and not their absolute values. On the contrary, the results show that BME estimation bias can be a function of model complexity. Thus, biased BME estimation results in inaccurate penalization of more complex models, which changes the model ranking. This was less observed with SS and MOSS as with the three other methods.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Experimental Investigations And Numerical Modelling of 210CR12 Steel in Semi-Solid State

Experimental investigation, including hot compression and simple closed die filling was performed. Temperature range of tests was between 1225 deg. C and 1320 deg. C. Temperature selection was adequate with liquid fraction between 20 and 60%, which is typical for thixoforming processes. In the die filling test, steel dies with ceramic layer was used (highly refractory air-setting mortar JM 3300 manufactured by Thermal Ceramics). Experiments were carried out on the Gleeble 3800 physical simulator with MCU unit. In the paper, methodology of experimental investigation is described. Dependency of forming forces on temperature and forming velocities is analysed. Obtained results are discussed. The second part of the paper concerns numerical modelling of semi-solid forming. Numerical models for both sets of test were developed. Structural and Computational Fluid Dynamics models are compared. Initial works in microstructural modelling of 210CR12 steel behaviour are described. Lattice Boltzman Method model for thixotropic flows is introduced. Microscale and macroscale models were integrated into multiscale simulation of semi-solid forming. Some fundamental issues related to multiscale modelling of thixoforming are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Propane ammoxidation over the Mo-V-Te-Nb-O M1 phase: Reactivity of surface cations in hydrogen abstraction steps

Density functional theory calculations (GGA-PBE) have been performed to investigate the adsorption of C3 (propane, isopropyl, propene, and allyl) and H species on the proposed active center present in the surface ab planes of the bulk Mo-V-Te-Nb-O M1 phase in order to better understand the roles of the different surface cations in propane ammoxidation. Modified cluster models were employed to isolate the closely spaced V=O and Te=O from each other and to vary the oxidation state of the V cation. While propane and propene adsorb with nearly zero adsorption energy, the isopropyl and allyl radicals bind strongly to V=O and Te=O with adsorption energies, {Delta}E, being {le} -1.75 eV, but appreciably more weakly on other sites, such as Mo=O, bridging oxygen (Mo-O-V and Mo-O-Mo), and empty metal apical sites ({Delta}E > -1 eV). Atomic H binds more strongly to Te = O ({Delta}E {le} -3 eV) than to all the other sites, including V = O ({Delta}E = -2.59 eV). The reduction of surface oxo groups by dissociated H and their removal as water are thermodynamically favorable except when both H atoms are bonded to the same Te=O. Consistent with the strong binding of H, Te=O is markedly more active at abstracting the methylene H from propane (E{sub a} {le} 1.01 eV) than V = O (E{sub a} = 1.70 eV on V{sup 5+} = O and 2.13 eV on V{sup 4+} = O). The higher-than-observed activity and the loose binding of Te = O moieties to the mixed metal oxide lattice of M1 raise the question of whether active Te = O groups are in fact present in the surface ab planes of the M1 phase under propane ammoxidation conditions.

08 HYDROGEN↗
DOE OSTI2021

Modeling Cell Survival Fraction and Other Dose-Response Relationships for Immunodeficient C.B-17 SCID Mice Exposed to 320-kV X Rays

US homeland security concerns related to potential misuse of γ-ray-emitting radiation sources employed in radiobiological research (eg, shielded cesium-137 irradiators) led to recommendations by the National Research Council to conduct studies into possibly replacing γ-ray irradiators used in research involving small rodent and other models with X-ray instruments. A limiting factor is suitability of the X-ray photon energy spectra. The objective of our research was to demonstrate the suitability of the radiation energy spectrum of 320-kV X rays after filtration (HVL = 4 mm Cu) for in-vivo cytotoxicity studies in immunodeficient C.B-17 SCID mice. By using a previously-published Hazard Function (HF) model to characterize dose-response relationships for in vivo bone marrow and spleen cell survival fractions and also to characterize the acute lethality risk (hematopoietic syndrome mode) we demonstrate that the filtered 320-kV X-ray beam appears suitable for such studies. A key finding for C.B-17 SCID mice when compared to results previously obtained for immunocompetent C.B-17 mice is that the immunodeficient mice appear to be more radioresistant, implicating a possible role of the immune system capacity in radiosensitivity of mammals.

Scott, Bobby R.↗
NASA NTRS1984

An Eulerian transport/transformation/removal model for SO2 and sulfate. I - Model development. II - Model calculation of SO(x) transport in the eastern United States

A three-dimensional, time dependent Eulerian atmospheric SO2 and sulfate transport/transformation/removal model is described and applied to the eastern U.S. The model was developed in anticipation of increased input to the atmospheric sulfur content by coal-burning power plants in the near future and is intended as an aid in identifying sources of SO2. The Eulerian transport model incorporates functions for chemical transformations, dry deposition, spatial topographical variations, spatial and temporal variations of mixing layer heights, the wind field, eddy diffusivities, deposition velocities, and temperature and water concentration profiles. Attention is also given to the SO2 photochemical oxidation mechanism and rates. Results from a 72-hr simulation of SO(x) transport over the eastern U.S., using actual 1974 meteorological data, illustrate the model's capability to depict interactions between emissions, transport, chemistry and removal. Concentration distributions are demonstrated to have significant spatial and temporal variations.

Carmichael, G. R.↗
NASA NTRS1994

Application of remote sensing in regional scale estimates of vegetation carbon budgets: The Belfix project

A concept for coupling the remote sensing derived fraction of the absorbed photosynthetic active radiation (FAPAR) with a functional ecosystem model was developed. The study was named the Belfix procedure. The quantification of changes in carbon dynamics at the ecosystem level is a key issue in studies of global climatic change effects at the vegetation atmosphere interface. An operational procedure, for the determination of carbon fluxes at the regional scale (Belgian territory), is presented. The approach allows for the determination of the sink function of vegetation for carbon (dioxide). The phyto- and litter mass, photosynthetic assimilation, autotroph and heterotroph carbon fluxes and net ecosystem exchange (NEE) of carbon, were evaluated. The results suggest that a single solution can be obtained for ecosystem rates and states, applying an iterative procedure, based on minimizing the change in maximal seasonal green phytomass in function of yearly FAPAR temporal profiles. Total phytomass values obtained are in close range with those obtained by ground sampling.

Veroustraete, Frank↗
NASA NTRS2001

Nano-Transistor Modeling: Two Dimensional Green's Function Method

Two quantum mechanical effects that impact the operation of nanoscale transistors are inversion layer energy quantization and ballistic transport. While the qualitative effects of these features are reasonably understood, a comprehensive study of device physics in two dimensions is lacking. Our work addresses this shortcoming and provides: (a) a framework to quantitatively explore device physics issues such as the source-drain and gate leakage currents, DIBL (Drain Induced Barrier Lowering), and threshold voltage shift due to quantization, and b) a means of benchmarking quantum corrections to semiclassical models (such as density-gradient and quantum-corrected MEDICI).

Svizhenko, Alexei↗
DOE OSTI2016

A computationally identified compound antagonizes excess FGF-23 signaling in renal tubules and a mouse model of hypophosphatemia

Fibroblast growth factor–23 (FGF-23) interacts with a binary receptor complex composed of α-Klotho (α-KL) and FGF receptors (FGFRs) to regulate phosphate and vitamin D metabolism in the kidney. Excess FGF-23 production, which causes hypophosphatemia, is genetically inherited or occurs with chronic kidney disease. Among other symptoms, hypophosphatemia causes vitamin D deficiency and the bone-softening disorder rickets. Current therapeutics that target the receptor complex have limited utility clinically. In this paper, using a computationally driven, structure-based, ensemble docking and virtual high-throughput screening approach, we identified four novel compounds predicted to selectively inhibit FGF-23–induced activation of the FGFR/α-KL complex. Additional modeling and functional analysis found that Zinc13407541 bound to FGF-23 and disrupted its interaction with the FGFR1/α-KL complex; experiments in a heterologous cell expression system showed that Zinc13407541 selectivity inhibited α-KL–dependent FGF-23 signaling. Zinc13407541 also inhibited FGF-23 signaling in isolated renal tubules ex vivo and partially reversed the hypophosphatemic effects of excess FGF-23 in a mouse model. Finally, these chemical probes provide a platform to develop lead compounds to treat disorders caused by excess FGF-23.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1993

Luminosity functions for very low mass stars and brown dwarfs

A theoretical investigation of the luminosity function for low-mass objects to constrain the stellar initial mass function at the low-mass end is reported. The ways in which luminosity functions for low-mass stars are affected by star formation histories, brown dwarf and premain-sequence cooling rates and main-sequence mass luminosity relations, and the IMF are examined. Cooling rates and the mass-luminosity relation are determined through a new series of evolutionary calculations for very low mass stars and brown dwarfs in the range 0.05-0.50 solar mass. Model luminosity functions are constructed for specific comparison with the results of four recent observational surveys. The likelihood that the stellar mass function in the solar neighborhood is increasing at masses near the bottom of the main sequence and perhaps at lower masses is confirmed. In the most optimistic case, brown dwarfs contribute half of the local missing disk mass. The actual contribution is likely to be considerably less.

Laughlin, Gregory↗
NASA NTRS2004

Analysis of Wind Tunnel Lateral Oscillatory Data of the F-16XL Aircraft

Static and dynamic wind tunnel tests were performed on an 18% scale model of the F-16XL aircraft. These tests were performed over a wide range of angles of attack and sideslip with oscillation amplitudes from 5 deg. to 30 deg. and reduced frequencies from 0.073 to 0.269. Harmonic analysis was used to estimate Fourier coefficients and in-phase and out-of-phase components. For frequency dependent data from rolling oscillations, a two-step regression method was used to obtain unsteady models (indicial functions), and derivatives due to sideslip angle, roll rate and yaw rate from in-phase and out-of-phase components. Frequency dependence was found for angles of attack between 20 deg. and 50 deg. Reduced values of coefficient of determination and increased values of fit error were found for angles of attack between 35 deg. and 45 deg. An attempt to estimate model parameters from yaw oscillations failed, probably due to the low number of test cases at different frequencies.

Klein, Vladislav↗
DOE OSTI2015

Analytic model of the energy distribution function for highly energetic electrons in magnetron plasmas

This paper analyzes a situation which is common for magnetized technical plasmas such as dc magnetron discharges and high power impulse magnetron sputtering (HiPIMS) systems, where secondary electrons enter the plasma after being accelerated in the cathode fall and encounter a nearly uniform bulk. An analytic calculation of the distribution function of hot electrons is presented; these are described as an initially monoenergetic beam that slows down by Coulomb collisions with a Maxwellian distribution of bulk (cold) electrons, and by inelastic collisions with neutrals. Although this analytical solution is based on a steady-state assumption, a comparison of the characteristic time-scales suggests that it may be applicable to a variety of practical time-dependent discharges, and it may be used to introduce kinetic effects into models based on the hypothesis of Maxwellian electrons. The results are verified for parameters appropriate to HiPIMS discharges, by means of time-dependent and fully kinetic numerical calculations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2000

FACET: Future ATM Concepts Evaluation Tool

FACET (Future ATM Concepts Evaluation Tool) is an Air Traffic Management research tool being developed at the NASA Ames Research Center. This paper describes the design, architecture and functionalities of FACET. The purpose of FACET is to provide E simulation environment for exploration, development and evaluation of advanced ATM concepts. Examples of these concepts include new ATM paradigms such as Distributed Air-Ground Traffic Management, airspace redesign and new Decision Support Tools (DSTs) for controllers working within the operational procedures of the existing air traffic control system. FACET is currently capable of modeling system-wide en route airspace operations over the contiguous United States. Airspace models (e.g., Center/sector boundaries, airways, locations of navigation aids and airports) are available from databases. A core capability of FACET is the modeling of aircraft trajectories. Using round-earth kinematic equations, aircraft can be flown along flight plan routes or great circle routes as they climb, cruise and descend according to their individual aircraft-type performance models. Performance parameters (e.g., climb/descent rates and speeds, cruise speeds) are obtained from data table lookups. Heading, airspeed and altitude-rate dynamics are also modeled. Additional functionalities will be added as necessary for specific applications. FACET software is written in Java and C programming languages. It is platform-independent, and can be run on a variety of computers. FACET has been designed with a modular software architecture to enable rapid integration of research prototype implementations of new ATM concepts. There are several advanced ATM concepts that are currently being implemented in FACET airborne separation assurance, dynamic density predictions, airspace redesign (re-sectorization), benefits of a controller DST for direct-routing, and the integration of commercial space transportation system operations into the U.S. National Airspace System (NAS).

Bilmoria, Karl D.↗
DOE OSTI2024

Characterizing Supernovae Neutrinos in MARLEY

This summer I worked on characterizing the uncertainties in neutrino-argon interactions due to the optical model potential. Functionally, this was a great deal of new experience coding in C++. I wrote a script using MARLEY(Gardiner 2019) to compute both the branching ratios and exclusive cross sections for a whole host of different decay processes from the unstable Potassium nucleus created by a v+Ar charged current interaction. These decays were computed through MARLEY, governed by a global parametrization of the Optical Model potential(Koning-Delaroche 2003). Helpfully, Pruitt+ 2023 provided public supplemental material outlining 400 separate "universes" for the optical model potential parameters. These "universes" represent uncertainties on the optical potential itself, and I wrote code to incorporate them into the MARLEY framework and quantify their impact on the predictions of neutrino-argon cross sections. This stands as the first computation of nuclear de-excitation systematic errors on cross sections in this energy band for v+Ar interactions, a critical step to understanding the science we can do with DUNE in the tens-of-MeV band.

Abu El-Haj, Luca↗
DOE OSTI2011

A Time-Dependent SPICE Model for Single Electron Box and Its Application to Logic Gates at Low and High Temperatures

In this paper, for the first time, a circuit model for single electron box (SEB) is introduced. The main feature of the proposed model is mapping the master equation, which explains the behavior of a single electron device, to a novel circuit model. The proposed model can be utilized in a circuit simulator such as SPICE. The proposed circuit model is a time dependent model which can be used in order to calculate the intrinsic time latency of the SEB. In addition, it is able to calculate the operation of a gate circuit in high temperatures. The correct operation of the proposed model is studied by utilizing the model for simulating two digital logic gates based on the SEB. The obtained results are compared with SIMON.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Modular invariant partition functions for noncompact G/Ad(H) models

We propose a spectrum for a class of gauged noncompact G/Ad(H) Wess-Zumino-Novikov-Witten models, including spectrally flowed images of highest, lowest, and mixed extremal weight modules. These are combined into blocks whose characters, due to the Lorentzian signature of the target space, are divergent and treated as formal expressions in need of regularization. Assuming that this is possible, we show that these extended characters transform linearly under modular transformations, and can be used to write down modular invariant partition functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Additional Degree of Freedom for WEC Model

'Additional Degree of Freedom for WEC' - WEC-Sim numerical model from RFTS 1 TEAMER project. An increase in wave energy converter (WEC) efficiency requires not only consideration of the nonlinear effects in the WEC dynamics and the power take-off (PTO) mechanisms, but also more integrated treatment of the whole system, i.e., the buoy dynamics, the PTO system, and the control strategy. It results in an optimization formulation that has a nonquadratic and nonstandard cost functional. This model presents the application of real-time nonlinear model predictive controller (NMPC) to two degrees of freedom point absorber type WEC with highly nonlinear PTO characteristics. The nonlinear effects, such as the fluid viscous drag, are also included in the plant dynamics. The controller may be implemented on a real-time target machine, and the WEC device is emulated in real-time using the WECSIM toolbox. Please see the ‘ReadMe’ within the root directory for an explanation of how to set-up and run the model. An article covering the development of this model is attached as "Real-Time Nonlinear Model Predictive Controller for Multiple Degrees of Freedom Wave Energy Converters with Non-Ideal Power Take-Off"

16 TIDAL AND WAVE POWER↗
NASA NTRS1997

Verification and Improvement of Flamelet Approach for Non-Premixed Flames

Studies in the mathematical modeling of the high-speed turbulent combustion has received renewal attention in the recent years. The review of fundamentals, approaches and extensive bibliography was presented by Bray, Libbi and Williams. In order to obtain accurate predictions for turbulent combustible flows, the effects of turbulent fluctuations on the chemical source terms should be taken into account. The averaging of chemical source terms requires to utilize probability density function (PDF) model. There are two main approaches which are dominant in high-speed combustion modeling now. In the first approach, PDF form is assumed based on intuitia of modelliers (see, for example, Spiegler et.al.; Girimaji; Baurle et.al.). The second way is much more elaborate and it is based on the solution of evolution equation for PDF. This approach was proposed by S.Pope for incompressible flames. Recently, it was modified for modeling of compressible flames in studies of Farschi; Hsu; Hsu, Raji, Norris; Eifer, Kollman. But its realization in CFD is extremely expensive in computations due to large multidimensionality of PDF evolution equation (Baurle, Hsu, Hassan).

Zaitsev, S.↗