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At least 469 records · Page 26

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DOE OSTI2025

Generalized approach for rapid entropy calculation of liquids and solids

We build a comprehensive methodology for the fast computation of entropy across both solid and liquid phases. The proposed method utilizes a single trajectory of molecular dynamics (MD) to facilitate the calculation of entropy, which is composed of three components. The electronic entropy is determined through the temporal average acquired from density functional theory MD simulations. The vibrational entropy, typically the predominant contributor to the total entropy, even within the liquid state, is evaluated by computing the phonon density of states via the velocity autocorrelation function. The most arduous component to quantify, the configurational entropy, is assessed by probability analysis of the local structural arrangement and atomic distribution. We illustrate, through a variety of examples, that this method is both a versatile and valid technique for characterizing the thermodynamic states of both solids and liquids. Furthermore, this method is employed to expedite the calculation of melting temperatures, demonstrating its practical utility in computational thermodynamics.

36 MATERIALS SCIENCE↗

NASA NTRS1979

The reflection of impulses from a nonlinear random sea

A model of the reflection of radar impulses from the sea at near-vertical incidence is used to account for non-Gaussian ocean waves statistics. The joint probability density function (pdf), of wave height and slope, is calculated according to the theory of Longuet-Higgins (1963) on the distribution of variables in a 'weakly nonlinear' random era. The long-crested approximation is made, a Phillips wave spectrum is assumed, and the Gram-Charlier series is truncated after skewness terms. It is found that the height and height-slope skewness coefficients bear the ratio 1:2 and that the derived impulse response and conditional cross section versus wave height are in excellent agreement with previous observations. Finally, it is suggested that the empirically determined and theoretically predicted sea state bias be corrected for in the routine processing of satellite radar altimeter data.

Jackson, F. C.↗

NASA NTRS1991

Reliability and risk assessment of structures

Development of reliability and risk assessment of structural components and structures is a major activity at Lewis Research Center. It consists of five program elements: (1) probabilistic loads; (2) probabilistic finite element analysis; (3) probabilistic material behavior; (4) assessment of reliability and risk; and (5) probabilistic structural performance evaluation. Recent progress includes: (1) the evaluation of the various uncertainties in terms of cumulative distribution functions for various structural response variables based on known or assumed uncertainties in primitive structural variables; (2) evaluation of the failure probability; (3) reliability and risk-cost assessment; and (4) an outline of an emerging approach for eventual certification of man-rated structures by computational methods. Collectively, the results demonstrate that the structural durability/reliability of man-rated structural components and structures can be effectively evaluated by using formal probabilistic methods.

Chamis, C. C.↗

NASA NTRS1992

Numerical modeling for dilute and dense sprays

We have successfully implemented a numerical model for spray-combustion calculations. In this model, the governing gas-phase equations in Eulerian coordinate are solved by a time-marching multiple pressure correction procedure based on the operator-splitting technique. The droplet-phase equations in Lagrangian coordinate are solved by a stochastic discrete particle technique. In order to simplify the calculation procedure for the circulating droplets, the effective conductivity model is utilized. The k-epsilon models are utilized to characterize the time and length scales of the gas phase in conjunction with turbulent modulation by droplets and droplet dispersion by turbulence. This method entails random sampling of instantaneous gas flow properties and the stochastic process requires a large number of computational parcels to produce the satisfactory dispersion distributions even for rather dilute sprays. Two major improvements in spray combustion modelings were made. Firstly, we have developed a probability density function approach in multidimensional space to represent a specific computational particle. Secondly, we incorporate the Taylor Analogy Breakup (TAB) model for handling the dense spray effects. This breakup model is based on the reasonable assumption that atomization and drop breakup are indistinguishable processes within a dense spray near the nozzle exit. Accordingly, atomization is prescribed by injecting drops which have a characteristic size equal to the nozzle exit diameter. Example problems include the nearly homogeneous and inhomogeneous turbulent particle dispersion, and the non-evaporating, evaporating, and burning dense sprays. Comparison with experimental data will be discussed in detail.

Chen, C. P.↗

NASA NTRS1997

Probabilistic Micromechanics and Macromechanics for Ceramic Matrix Composites

The properties of ceramic matrix composites (CMC's) are known to display a considerable amount of scatter due to variations in fiber/matrix properties, interphase properties, interphase bonding, amount of matrix voids, and many geometry- or fabrication-related parameters, such as ply thickness and ply orientation. This paper summarizes preliminary studies in which formal probabilistic descriptions of the material-behavior- and fabrication-related parameters were incorporated into micromechanics and macromechanics for CMC'S. In this process two existing methodologies, namely CMC micromechanics and macromechanics analysis and a fast probability integration (FPI) technique are synergistically coupled to obtain the probabilistic composite behavior or response. Preliminary results in the form of cumulative probability distributions and information on the probability sensitivities of the response to primitive variables for a unidirectional silicon carbide/reaction-bonded silicon nitride (SiC/RBSN) CMC are presented. The cumulative distribution functions are computed for composite moduli, thermal expansion coefficients, thermal conductivities, and longitudinal tensile strength at room temperature. The variations in the constituent properties that directly affect these composite properties are accounted for via assumed probabilistic distributions. Collectively, the results show that the present technique provides valuable information about the composite properties and sensitivity factors, which is useful to design or test engineers. Furthermore, the present methodology is computationally more efficient than a standard Monte-Carlo simulation technique; and the agreement between the two solutions is excellent, as shown via select examples.

Murthy, Pappu L. N.↗

NASA NTRS2016

Earth Observing System Covariance Realism

The purpose of covariance realism is to properly size a primary object's covariance in order to add validity to the calculation of the probability of collision. The covariance realism technique in this paper consists of three parts: collection/calculation of definitive state estimates through orbit determination, calculation of covariance realism test statistics at each covariance propagation point, and proper assessment of those test statistics. An empirical cumulative distribution function (ECDF) Goodness-of-Fit (GOF) method is employed to determine if a covariance is properly sized by comparing the empirical distribution of Mahalanobis distance calculations to the hypothesized parent 3-DoF chi-squared distribution. To realistically size a covariance for collision probability calculations, this study uses a state noise compensation algorithm that adds process noise to the definitive epoch covariance to account for uncertainty in the force model. Process noise is added until the GOF tests pass a group significance level threshold. The results of this study indicate that when outliers attributed to persistently high or extreme levels of solar activity are removed, the aforementioned covariance realism compensation method produces a tuned covariance with up to 80 to 90% of the covariance propagation timespan passing (against a 60% minimum passing threshold) the GOF tests-a quite satisfactory and useful result.

Realism↗

NASA NTRS1972

Evacuation areas for transportation accidents involving propellant tank pressure bursts

Evacuation areas are defined for those transportation accidents where volatile chemical propellant tanks are exposed to fire in the wreckage and eventually explode with consequent risks from fragments in surrounding populated areas. An evacuation area with a minimum radius of 600 m is recommended to limit the statistical probability of fatality to one in 100 such accidents. The result of this study was made possible by the derivation of a distribution function of distances reached by fragments from bursting chemical car tanks. Data concerning fragments were obtained from reports of tank car pressure bursts between 1958 and 1971.

Siewert, R. D.↗

NASA NTRS1976

Multiplicity dependence of transverse momentum in hadronic collisions

The process of secondary-particle emission in hadron-hadron collisions is analytically studied using a simple model of hadron structure. The model neglects the 'size' of the hadron constituents, considering a hadron as a continuous distribution of matter according to a step function of radius R. A version of the eikonal approximation is applied to derive the relative probability for interaction and emission of secondaries when the impact parameter b is smaller than 2R. On the basis of these assumptions, and using the uncertainty relation, an empirical parameterization is obtained for the dependence of the transverse momentum of charged secondaries on their multiplicity in the case of high-energy proton-proton collisions. Comparison with experimental data at 28 GeV/c yields agreement to within about 3%. The analysis shows that at a fixed beam momentum, the transverse momentum decreases with increasing multiplicity, and that for a given multiplicity, the transverse momentum exhibits a slow increase with beam momentum.

Saint Amand, J.↗

NASA NTRS1977

Random and systematic measurement errors in acoustic impedance as determined by the transmission line method

The effect of random and systematic errors associated with the measurement of normal incidence acoustic impedance in a zero-mean-flow environment was investigated by the transmission line method. The influence of random measurement errors in the reflection coefficients and pressure minima positions was investigated by computing fractional standard deviations of the normalized impedance. Both the standard techniques of random process theory and a simplified technique were used. Over a wavelength range of 68 to 10 cm random measurement errors in the reflection coefficients and pressure minima positions could be described adequately by normal probability distributions with standard deviations of 0.001 and 0.0098 cm, respectively. An error propagation technique based on the observed concentration of the probability density functions was found to give essentially the same results but with a computation time of about 1 percent of that required for the standard technique. The results suggest that careful experimental design reduces the effect of random measurement errors to insignificant levels for moderate ranges of test specimen impedance component magnitudes. Most of the observed random scatter can be attributed to lack of control by the mounting arrangement over mechanical boundary conditions of the test sample.

Parrott, T. L.↗

NASA NTRS1983

A study of optimal abstract jamming strategies vs. noncoherent MFSK

The present investigation is concerned with the performance of uncoded MFSK modulation in the presence of arbitrary additive jamming, taking into account the objective to devise robust antijamming strategies. An abstract model is considered, giving attention to the signal strength as a nonnegative real number X, the employment of X as a random variable, its distribution function G(x), the transmitter's strategy G, the jamming noise as an M-dimensional random vector Z, and the error probability. A summary of previous work on the considered problem is provided, and the results of the current study are presented.

Mceliece, R. J.↗

NASA NTRS1985

Modeling the radiant transfers of sparse vegetation canopies

The scattering dynamics of sparse vegetation canopies were studied within the framework of the three-dimensional radiative transfer model of Kimes (1984). The model was upgraded by including an algorithm for the anisotropic scattering of a soil boundary. Validation of the model was carried out using measured directional reflectance data for two canopies exhibiting typical scattering behavior with low and intermediate vegetation density. The canopies were: an orchard grass canopy; and a hard wheat canopy. A number of factors were found contributing to the final reflectance distribution of the canopies, including: (1) the strong anisotropic scattering properties of the soil; (2) the geometric effect of the vegetation probability gap function on the soil anisotropy and solar irradiance; and (3) the anisotropic scattering of vegetation which is controlled by the phase function and the layering of leaves. The application of the theoretical results to the development of earth-observing sensor systems is discussed.

Kimes, D. S.↗

NASA NTRS1986

Spatial modelling of total storm rainfall

The spatial structure of the depth of rainfall from a stationary storm event is investigated by using point process techniques. Cells are assumed to be stationary and to be distributed in space either independently according to a Poisson process, or with clustering according to a Neyman-Scott scheme. Total storm rainfall at the centre of each cell is a random variable and rainfall is distributed around the centre in a way specified by a spread function that may incorporate random parameters. The mean, variance and covariance structure of the precipitation depth at a point are obtained for different spread functions. For exponentially distributed centre depth and a spread function having quadratically exponential decay, the total storm depth at any point in the field is shown to have a gamma distribution. The probability of zero rainfall at a point is investigated, as is the stochastic variability of model parameters from storm to storm. Data from the Upper Rio Guaire basin in Venezuela are used in illustration.

Rodriguez-Iturbe, I.↗

NASA NTRS1993

Evapotranspiration and runoff from large land areas: Land surface hydrology for atmospheric general circulation models

A land surface hydrology parameterization for use in atmospheric GCM's is presented. The parameterization incorporates subgrid scale variability in topography, soils, soil moisture and precipitation. The framework of the model is the statistical distribution of a topography-soils index, which controls the local water balance fluxes, and is therefore taken to represent the large land area. Spatially variable water balance fluxes are integrated with respect to the topography-soils index to yield our large topography-soils distribution, and interval responses are weighted by the probability of occurrence of the interval. Grid square averaged land surface fluxes result. The model functions independently as a macroscale water balance model. Runoff ratio and evapotranspiration efficiency parameterizations are derived and are shown to depend on the spatial variability of the above mentioned properties and processes, as well as the dynamics of land surface-atmosphere interactions.

Famiglietti, J. S.↗

NASA NTRS1992

Long-time behavior of material-surface curvature in isotropic turbulence

The behavior at large times of the curvature of material elements in turbulence is investigated using Lagrangian velocity-gradient time series obtained from direct numerical simulations of isotropic turbulence. The main objectives are: to study the asymptotic behavior of the pdf curvature as a function of initial curvature and shape; and to establish whether the curvature of an initially plane material element goes to a stationary probability distribution. The evidence available in the literature about the asymptotic curvature-pdf of initially flat surfaces is ambiguous, and the conjecture is that it is quasi-stationary. In this work several material-element ensembles of different initial curvatures and shapes are studied. It is found that, at long times the moments of the logarithm of curvature are independent of the initial pdf of curvature. This, it is argued, supports the view that the curvature attains a stationary distribution at long times. It is also shown that, irrespective of initial shape or curvature, the shape of any material element at long times is cylindrical with a high probability.

Girimaji, S. S.↗

NASA NTRS2000

VLBI Contribution to ITRF2000

The VLBI data set spanning Aug. 1919 to the present is a major constituent of ITRF2000 because of the time span, the geometric strength and the accuracy of the modeling. Formal velocity errors for the best stations are less than 0.3 mm/yr while the probable frame definition error for station velocities is approximately 0.4 mm/yr. The primary systematic errors are the troposphere and tidal loading (solid Earth and ocean). However, the scale of the VLBI TRF is probably only weakly affected because of continued improvements in the tropospheric mapping function and gradient estimation. There are some weaknesses in the spatial distribution of data, particularly in the southern hemisphere, and the quality of the mobile VLBI results is now suboptimal. The deployment of the TIGO system to Chile will improve the geometric coverage. The current state of the art of VLBI analysis will be discussed.

Ma, Chopo↗

NASA NTRS2019

A Comparative Study on Computation of Cumulative Distribution Function in Predicting Time of Failure of Engineering Systems

Estimating accurate Time-of-Failure (ToF) of a system is key in making the decisions that impact operational safety and optimize cost. In this context, it is interesting to note that different approaches have been explored to tackle the problem of estimating ToF. The difference is in part characterized by different definitions of the hazard zones. The conventional definition for the cumulative distribution function (CDF) calculation is assumed to have well-defined hazard zones, that is, hazard zones defined as a function of the system state trajectory. An alternate method suggests the use of hazard zones defined as a function of the system state at time , instead of hazard zones defined as a function of system state up to and including time k (Acuna and Orchard 2018, 2017). This paper explores these differences and their impact on ToF estimation. Results for the conventional CDF definition indicated that, (i) the cumulative distribution function is always an increasing function of time, even when realizations of the degradation process are not monotonic, (ii) the sum of all probabilities is always 1 and does not need to be normalized, and (iii) all probabilities are positive and less than or equal to 1. Similar results are not observed for CDF calculation with hazard zones defined as a function only of the system state at time . Results for ToF estimation using Acuna's definition differ, suggesting that there is an underlying assumption of independence in the hazard zone definition. Therefore, we present an alternate definition of hazard zone which guarantees the properties of a well-defined CDF with a more straightforward ToF definition.

Hazard Zone↗

NASA NTRS2021

Machine Learning Models to Predict Cognitive Impairment of Rodents Subjected to Space Radiation

This research uses machine-learned computational analyses to predict the cognitive performance impairment of rats induced by irradiation. The experimental data in the analyses is from a rodent model exposed to ≤ 15 cGy of individual Galactic Cosmic Radiation (GCR) ions: 4He, 16O, 28Si, 48Ti, or 56Fe, expected for a Lunar or Mars mission. This work investigates rats at a subject-based level and uses performance scores taken before irradiation to predict impairment in Attentional Set-shifting (ATSET) data post-irradiation. Here, the worst performing rats of the control group define the impairment thresholds based on population analyses via cumulative distribution functions, leading to the labeling of impairment for each subject. A significant finding is the exhibition of a dose-dependent increasing probability of impairment for 1 to 10 cGy of 28Si or 56Fe in the Simple Discrimination (SD) stage of the ATSET, and for 1 to 10 cGy of 56Fe in the Compound Discrimination (CD) stage. On a subject-based level, implementing Machine Learning (ML) classifiers such as the Gaussian Naïve Bayes, Support Vector Machine, and Artificial Neural Networks identifies rats that have a higher tendency for impairment after GCR exposure. The algorithms employ the experimental prescreenperformance scores as multidimensional input features to predict each rodent’s susceptibility to cognitive impairment due to space radiation exposure. The receiver operating characteristic and the precision-recall curves of the ML models show a better prediction of impairment when 56Feis the ion in question in both SD and CD stages. They, however, do not depict impairment due to 4Hein SD and 28Siin CD, suggesting no dose-dependent impairment response in these cases. One key finding of our study is that prescreen performance scores can be used to predict the ATSET performance impairments. This result is significant to crewed space missions as it supports the potential of predicting an astronaut’s impairment in a specific task before spaceflight through the implementation of appropriately trained ML tools. Future research can focus on constructing ML ensemble methods to integrate the findings from the methodologies implemented in this study for morerobust predictionsof cognitive decrements due to space radiation exposure.

space radiation↗

NASA NTRS2009

A Monte-Carlo Model for the Formation of Radiation-induced Chromosomal Aberrations

Purpose: To simulate radiation-induced chromosome aberrations in mammalian cells (e.g., rings, translocations, and dicentrics) and to calculate their frequency distributions following exposure to DNA double strand breaks (DSBs) produced by high-LET ions. Methods: The interphase genome was assumed to be comprised of a collection of 2 kbp rigid-block monomers following the random-walk geometry. Additional details for the modeling of chromosomal structure, such as chromosomal domains and chromosomal loops, were included. A radial energy profile for heavy ion tracks was used to simulate the high-LET pattern of induced DSBs. The induced DSB pattern depended on the ion charge and kinetic energy, but always corresponded to the DSB yield of 25 DSBs/cell/Gy. The sum of all energy contributions from Poisson-distributed particle tracks was taken to account for all possible one-track and multi-track effects. The relevant output of the model was DNA fragments produced by DSBs. The DSBs, or breakpoints, were defined by (x, y, z, l) positions, where x, y, z were the Euclidian coordinates of a DSB, and where l was the relative position along the genome. Results: The code was used to carry out Monte Carlo simulations for DSB rejoinings at low doses. The resulting fragments were analyzed to estimate the frequencies of specific types of chromosomal aberrations. Histograms for relative frequencies of chromosomal aberrations and P.D.F.s (probability density functions) of a given aberration type were produced. The relative frequency of dicentrics to rings was compared to empirical data to calibrate rejoining probabilities. Of particular interest was the predicted distribution of ring sizes, irrespective of their frequencies relative to other aberrations. Simulated ring sizes were . 4 kbp, which are far too small to be observed experimentally (i.e., by microscopy) but which, nevertheless, are conjectured to exist. Other aberrations, for example, inversions, translocations, as well as multi-centrics were also recorded. Conclusion: High-LET DNA damage affects the frequencies of chromosomal aberrations. The ratio of rings to dicentrics is correct for the genomic size cut-offs corresponding to available experimental data. The present work predicts a relative abundance of small rings following irradiation by heavy ions.

Ponomarev, Artem L.↗