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At least 667 records · Page 37

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DOE OSTI2023

A Joint Modeling/Experimental Approach to Characterize Ionization and Fragmentation of SOA Molecules with CIMS

The Molecular Dynamics technique Collective variable hyperdynamics (CVHD) interfaced with density functional tight-binding at the GFN1-xTB and GFN2-xTB levels of electronic structure theory has been applied to the H + GAG positively charged peptide system to explore the fragmentation of this simple tripeptide under relatively low temperature/energy conditions. Unlike conventional chemical dynamics simulations which can only be performed up to hundreds of picoseconds when coupled with semi-empirical Hamiltonians, CVHD is able to capture the long-time dynamics of multiple proton hopping, the formation of reversible ring structures, and ester rearrangement of the H + GAG system prior to fragmentation. The CVHD method applied to H + GAG is also able to uncover alternative fragmentation pathways not considered previously such as glycine fragmentation on the N-terminal side of the charged peptide and new cyclic cationic species. These findings in the H + GAG case have implications for other peptide systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Stochastic Distribution Control Theory-Its Potential Application in Risk Management in Financial Systems

Stochastic Distribution Control (SDC) theory [1], originated by the author in 1996, aims at developing modeling and control strategies for dynamic and non-Gaussian stochastic systems by controlling the shape of the probability density functions of some concerned variables and parameters in stochastic systems. It generalizes the capability of standard stochastic differential equations and can therefore be applied to generic non-Gaussian systems. Since it was established in 1996, it has found a wide spectrum of applications in non-Gaussian stochastic system control, data mining, filtering and optimization for uncertain systems. In this short opinion article, discussions will be made on potential applications of SDC theory to financial systems in terms of risk analysis and management.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Grinding and Pelleting Characteristics of Municipal Solid Waste Fractions

The efficient utilization of low-cost carbon feedstocks, such as municipal solid waste (MSW), in biorefineries has become increasingly important for reducing GHG emissions and meeting the growing demand for renewable energy sources. However, MSW as a feedstock presents several challenges, including high moisture content, compositional variability, particle size and shape, density, and ash content. To address these challenges, the potential of mechanical dewatering and high-moisture pelleting processes for densifying MSW fractions, such as paper, cardboard, thin plastic, and thick plastic, into low-cost carbon feedstocks with improved handling and conversion properties were investigated. The effect of these preprocessing technologies on the critical quality attributes (CQAs) of the resulting pellets, including bulk density, durability, and size uniformity, were evaluated. The results showed that with these preprocessing technologies, the paper and cardboard fractions could be pelleted at moisture contents over 40% (w.b.) while achieving >99% durability and >300 kg/m3, while the high moisture plastic fractions were not suitable for pelleting. The thick plastic fraction processed in a screw press was shown to remove up to 30% of the moisture content in a single pass. These findings suggest that these mechanical preprocessing technologies can improve the physical properties of low-cost municipal solid waste fractions for biofuels production.

09 BIOMASS FUELS↗

NASA NTRS1972

Analytical study of striated nozzle flow with small radius of curvature ratio throats

An analytical method was developed which is capable of estimating the chamber and throat conditions in a nozzle with a low radius of curvature throat. The method was programmed using standard FORTRAN 4 language and includes chemical equilibrium calculation subprograms (modified NASA Lewis program CEC71) as an integral part. The method determines detailed and gross rocket characteristics in the presence of striated flows and gives detailed results for the motor chamber and throat plane with as many as 20 discrete zones. The method employs a simultaneous solution of the mass, momentum, and energy equations and allows propellant types, 0/F ratios, propellant distribution, nozzle geometry, and injection schemes to be varied so to predict spatial velocity, density, pressure, and other thermodynamic variable distributions in the chamber as well as the throat. Results for small radius of curvature have shown good comparison to experimental results. Both gaseous and liquid injection may be considered with frozen or equilibrium flow calculations.

Norton, D. J.↗

NASA NTRS1972

Computer programs for thermodynamic and transport properties of hydrogen (tabcode-II)

The thermodynamic and transport properties of para and equilibrium hydrogen have been programmed into a series of computer routines. Input variables are the pair's pressure-temperature and pressure-enthalpy. The programs cover the range from 1 to 5000 psia with temperatures from the triple point to 6000 R or enthalpies from minus 130 BTU/lb to 25,000 BTU/lb. Output variables are enthalpy or temperature, density, entropy, thermal conductivity, viscosity, at constant volume, the heat capacity ratio, and a heat transfer parameter. Property values on the liquid and vapor boundaries are conveniently obtained through two small routines. The programs achieve high speed by using linear interpolation in a grid of precomputed points which define the surface of the property returned.

Roder, H. M.↗

NASA NTRS1973

The control of carbon dioxide cryodeposits

An experimental study has been conducted to investigate the parameters affecting the cryodeposition of carbon dioxide frost. In the investigation carbon dioxide frost was cryodeposited from a helium-carbon dioxide mixture into a layer of fibrous insulation surrounding a cylindrical cryogenic tank. Results of the study indicated that not only did deposition occur on the frost surface but also within the frost layer. Over the range of variables investigated both the frost density and the mass of frost deposited were most sensitive to the time of deposition, the percent of carbon dioxide in the purge-gas mixture, and the thickness of the insulation. Frost density and mass of frost deposition were found to increase with time and percent carbon dioxide, and to decrease with increasing insulation thickness.

Sharpe, E. L.↗

NASA NTRS1975

Evaluation of refractory-metal-clad uranium nitride and uranium dioxide fuel pins after irradiation for times up to 10 450 hours at 990 C

The effects of some materials variables on the irradiation performance of fuel pins for a lithium-cooled space power reactor design concept were examined. The variables studied were UN fuel density, fuel composition, and cladding alloy. All pins were irradiated at about 990 C in a thermal neutron environment to the design fuel burnup. An 85-percent dense UN fuel gave the best overall results in meeting the operational goals. The T-111 cladding on all specimens was embrittled, possibly by hydrogen in the case of the UN fuel and by uranium and oxygen in the case of the UO2 fuel. Tests with Cb-1Zr cladding indicate potential use of this cladding material. The UO2 fueled specimens met the operational goals of less than 1 percent cladding strain, but other factors make UO2 less attractive than low-density UN for the contemplated space power reactor use.

Bowles, K. J.↗

NASA NTRS1975

Design and simulation of stratified probability digital receiver with application to the multipath communication

One approach to the problem of simplifying complex nonlinear filtering algorithms is through using stratified probability approximations where the continuous probability density functions of certain random variables are represented by discrete mass approximations. This technique is developed in this paper and used to simplify the filtering algorithms developed for the optimum receiver for signals corrupted by both additive and multiplicative noise.

Deal, J. H.↗

NASA NTRS1976

Pc 3, 4 activity and interplanetary field orientation

Analysis of Pc 3, 4 micropulsation wave forms recorded at Calgary in September 1969 shows a tendency toward signal enhancement in cases where the interplanetary magnetic field is at a small angle to the sun-earth line. Scatter plots of hourly Pc 3, 4 amplitudes exhibit a definite trend toward large signals when this angle is less than 50 or 60 degrees, and a corresponding disappearance of significant amplitudes when the angle is greater than 60 degrees. There is, however, an appreciable variability in individual cases. Power density spectrograms improved the correlation of pulsation strength with low angle in some cases.

Greenstadt, E. W.↗

NASA NTRS1977

Anion permselective membrane

The objective of NAS 3-20108 was the development and evaluation of improved anion selective membranes useful as efficient separators in a redox power storage cell system being constructed. The program was divided into three parts, (a) optimization of the selected candidate membrane systems, (b) investigation of alternative membrane/polymer systems, and (c) characterization of candidate membranes. The major synthesis effort was aimed at improving and optimizing as far as possible each candidate system with respect to three critical membrane properties essential for good redox cell performance. Substantial improvements were made in 5 candidate membrane systems. The critical synthesis variables of cross-link density, monomer ratio, and solvent composition were examined over a wide range. In addition, eight alternative polymer systems were investigated, two of which attained candidate status. Three other alternatives showed potential but required further research and development. Each candidate system was optimized for selectivity.

Alexander, S.↗

NASA NTRS1977

Viking Orbiter Observations of Atmospheric Opacity During July-November 1976

Viking orbiter photography during the primary mission combined with lander indications of surface properties have permitted the estimation of atmospheric optical depths and phase functions. Highly variable time of day opacities ranging from 0.05 to 0.6 are seen to occur in three principle regions. A wavelength-dependent particulate component plus a time variable grey aerosol of higher density may explain these opacities versus time of day. These data should serve as a basis for extended mission comparisons.

Thorpe, T. E.↗

NASA NTRS1978

Optimal estimation for discrete time jump processes

Optimum estimates of nonobservable random variables or random processes which influence the rate functions of a discrete time jump process (DTJP) are derived. The approach used is based on the a posteriori probability of a nonobservable event expressed in terms of the a priori probability of that event and of the sample function probability of the DTJP. Thus a general representation is obtained for optimum estimates, and recursive equations are derived for minimum mean-squared error (MMSE) estimates. In general, MMSE estimates are nonlinear functions of the observations. The problem is considered of estimating the rate of a DTJP when the rate is a random variable with a beta probability density function and the jump amplitudes are binomially distributed. It is shown that the MMSE estimates are linear. The class of beta density functions is rather rich and explains why there are insignificant differences between optimum unconstrained and linear MMSE estimates in a variety of problems.

Vaca, M. V.↗

NASA NTRS1982

Error probabilities in optical PPM receivers with Gaussian mixture densities

A Gaussian mixture density arises when a discrete variable (e.g., a photodetector count variable) is added to a continuous Gaussian variable (e.g., thermal noise). Making use of some properties of photomultiplier Gaussian mixture distributions, some approximate error probability formulas can be derived. These appear as averages of M-ary orthogonal Gaussian error probabilities. The use of a pure Gaussian assumption is considered, and when properly defined, appears as an accurate upper bound to performance.

Gagliardi, R. M.↗

NASA NTRS1992

An observational case against nova hibernation

We use WHT spectroscopy and imaging to show that nova Vul 1670 (= CK Vul) has been incorrectly identified, and thus its luminosity cannot be used as evidence that novae fade into a 'hibernation' phase within 300 yr of their outbursts. INT spectroscopy is used to correct the magnitude of nova Sge 1783 (= WY Sge) for inclination, this result also implying that novae do not fade significantly. We therefore suggest that, while novae decline in the first 60 yr after outburst, thereafter their luminosity remains constant, and they never undergo a 'hibernation' phase. We show that this idea is consistent with the space density of novae and novalike variables, the outburst interval of SS Cyg and the current luminosities of old novae.

Naylor, T.↗

NASA NTRS2005

Primal and Dual Integrated Force Methods Used for Stochastic Analysis

At the NASA Glenn Research Center, the primal and dual integrated force methods are being extended for the stochastic analysis of structures. The stochastic simulation can be used to quantify the consequence of scatter in stress and displacement response because of a specified variation in input parameters such as load (mechanical, thermal, and support settling loads), material properties (strength, modulus, density, etc.), and sizing design variables (depth, thickness, etc.). All the parameters are modeled as random variables with given probability distributions, means, and covariances. The stochastic response is formulated through a quadratic perturbation theory, and it is verified through a Monte Carlo simulation.

Patnaik, Surya N.↗

NASA NTRS1993

The Short-Term Prediction of Universal Time and Length-Of-Day Using Atmospheric Angular Momemtum

Methods to combine the diverse set of geodetic measurements of Earth orientation that are currently available, and to interpolate and extrapolate these data to generate an optimal estimate of Earth orientation, have been under development at JPL for a number of years. The strategy currently in use is a Kalman filtering scheme based on Earth orentation parameters and their excitation functions that incorporates stochastic models of the important physical processes and takes into account the variable form, quality, and temporal density of the data provided by diffent measurement services.

Universal Time↗

NASA NTRS2005

Study of Some Planetary Atmospheres Features by Probe Entry and Descent Simulations

Characterization of planetary atmospheres is analyzed by its effects in the entry and descent trajectories of probes. Emphasis is on the most important variables that characterize atmospheres e.g. density profile with altitude. Probe trajectories are numerically determined with ENTRAP, a developing multi-purpose computational tool for entry and descent trajectory simulations capable of taking into account many features and perturbations. Real data from Mars Pathfinder mission is used. The goal is to be able to determine more accurately the atmosphere structure by observing real trajectories and what changes are to expect in probe descent trajectories if atmospheres have different properties than the ones assumed initially.

Gil, P. J. S.↗

NASA NTRS2004

Modeling Temporal Variability of Plasma Conditions in the Io Torus during the Cassini Era

Observations of ultraviolet (UV) emissions from the major ion species (S(sup +), S(sup ++), S(sup +++), O(sup +), O(sup ++) of the Io Plasma torus made during the Cassini flyby (October 2000 to March 2001) have revealed significant time variability. Using a homogenoeus model for mass and energy flow in the torus parameterized by five input variables (transport timescale, neutral source strength, ratio of oxygen to sulfur atoms in the source, fraction of superthermal electrons, and temperature of the hot electrons), we have investigated the time variability of the torus properties (density, composition, and temperature) during the Cassini era. In order to match the changes in emissions, the model suggests that a significant change in the neutral source occurred near the beginning of the observing period, decreasing from more than 1.8 tons/s to 0.7 tons/s. The changes in the neutral source appear to coincide with the declining phase of a dramatic (i.e., 2-3 order of magnitude) peak in iogenic dust emissions observed by Galileo prior to the Cassini era.

Delamere, P. A.↗