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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Statistical properties of Charney-Hasegawa-Mima zonal flows

A theoretical interpretation of numerically generated probability density functions (PDFs) of intermittent plasma transport events in unforced zonal flows is provided within the Charney-Hasegawa-Mima (CHM) model. The governing equation is solved numerically with various prescribed density gradients that are designed to produce different configurations of parallel and anti-parallel streams. Long-lasting vortices form whose flow is governed by the zonal streams. It is found that the numerically generated PDFs can be matched with analytical predictions of PDFs based on the instanton method by removing the autocorrelations from the time series. In many instances, the statistics generated by the CHM dynamics relaxes to Gaussian distributions for both the electrostatic and vorticity perturbations, whereas in areas with strong nonlinear interactions it is found that the PDFs are exponentially distributed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

ESTIMATING THE PROPERTIES OF HARD X-RAY SOLAR FLARES BY CONSTRAINING MODEL PARAMETERS

We wish to better constrain the properties of solar flares by exploring how parameterized models of solar flares interact with uncertainty estimation methods. We compare four different methods of calculating uncertainty estimates in fitting parameterized models to Ramaty High Energy Solar Spectroscopic Imager X-ray spectra, considering only statistical sources of error. Three of the four methods are based on estimating the scale-size of the minimum in a hypersurface formed by the weighted sum of the squares of the differences between the model fit and the data as a function of the fit parameters, and are implemented as commonly practiced. The fourth method is also based on the difference between the data and the model, but instead uses Bayesian data analysis and Markov chain Monte Carlo (MCMC) techniques to calculate an uncertainty estimate. Two flare spectra are modeled: one from the Geostationary Operational Environmental Satellite X1.3 class flare of 2005 January 19, and the other from the X4.8 flare of 2002 July 23. We find that the four methods give approximately the same uncertainty estimates for the 2005 January 19 spectral fit parameters, but lead to very different uncertainty estimates for the 2002 July 23 spectral fit. This is because each method implements different analyses of the hypersurface, yielding method-dependent results that can differ greatly depending on the shape of the hypersurface. The hypersurface arising from the 2005 January 19 analysis is consistent with a normal distribution; therefore, the assumptions behind the three non-Bayesian uncertainty estimation methods are satisfied and similar estimates are found. The 2002 July 23 analysis shows that the hypersurface is not consistent with a normal distribution, indicating that the assumptions behind the three non-Bayesian uncertainty estimation methods are not satisfied, leading to differing estimates of the uncertainty. We find that the shape of the hypersurface is crucial in understanding the output from each uncertainty estimation technique, and that a crucial factor determining the shape of hypersurface is the location of the low-energy cutoff relative to energies where the thermal emission dominates. The Bayesian/MCMC approach also allows us to provide detailed information on probable values of the low-energy cutoff, E{sub c} , a crucial parameter in defining the energy content of the flare-accelerated electrons. We show that for the 2002 July 23 flare data, there is a 95% probability that E{sub c} lies below approximately 40 keV, and a 68% probability that it lies in the range 7-36 keV. Further, the low-energy cutoff is more likely to be in the range 25-35 keV than in any other 10 keV wide energy range. The low-energy cutoff for the 2005 January 19 flare is more tightly constrained to 107 {+-} 4 keV with 68% probability. Using the Bayesian/MCMC approach, we also estimate for the first time probability density functions for the total number of flare-accelerated electrons and the energy they carry for each flare studied. For the 2002 July 23 event, these probability density functions are asymmetric with long tails orders of magnitude higher than the most probable value, caused by the poorly constrained value of the low-energy cutoff. The most probable electron power is estimated at 10{sup 28.1} erg s{sup -1}, with a 68% credible interval estimated at 10{sup 28.1}-10{sup 29.0} erg s{sup -1}, and a 95% credible interval estimated at 10{sup 28.0}-10{sup 30.2} erg s{sup -1}. For the 2005 January 19 flare spectrum, the probability density functions for the total number of flare-accelerated electrons and their energy are much more symmetric and narrow: the most probable electron power is estimated at 10{sup 27.66{+-}0.01} erg s{sup -1} (68% credible intervals). However, in this case the uncertainty due to systematic sources of error is estimated to dominate the uncertainty due to statistical sources of error.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Model Predictive Fault-Tolerant Tracking Control for PDF Control Systems With Packet Losses

In this article, a fault-tolerant tracking control strategy is investigated for nonlinear probability density function (PDF) control systems with the actuator fault, uncertainties, unknown disturbance, and random packet losses. The control input signal dropout and measurement signal dropouts are described as the independent Bernoulli distribution. An adaptive fault diagnosis (FD) observer based on the Lyapunov function is given to simultaneously estimate the fault, disturbance, and state with packet losses. Furthermore, different from the traditional robust fault-tolerant control (FTC), a new active fault-tolerant tracking controller is designed based on the model predictive control framework, which has better adaptive fault-tolerant performance. Finally, the validity of the proposed FTC method has been proved by a simulation study of a papermaking process.

42 ENGINEERING↗
DOE OSTI2016

On a stochastic approach to a code performance estimation

The main goal of an efficient profiling of software is to minimize the runtime overhead under certain constraints and requirements. The traces built by a profiler during the work, affect the performance of the system itself. One of important aspect of an overhead arises from the randomness of variability in the context in which the application is embedded, e.g., due to possible cache misses, etc. Such uncertainty needs to be taken into account in the design phase. In order to overcome these difficulties we propose to investigate this issue through the analysis of the probability distribution of the difference between profiler’s times for the same code. The approximating model is based on the finite normal mixtures within the framework of the method of moving separation of mixtures. We demonstrate some results for the MATLAB profiler using plotting of 3D surfaces by the function surf. The idea can be used for an estimating of a program efficiency.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Searching for signatures of cosmic string wakes in 21cm redshift surveys using Minkowski Functionals

Minkowski Functionals are a powerful tool for analyzing large scale structure, in particular if the distribution of matter is highly non-Gaussian, as it is in models in which cosmic strings contribute to structure formation. Here we apply Minkowski functionals to 21cm maps which arise if structure is seeded by a scaling distribution of cosmic strings embeddded in background fluctuations, and then test for the statistical significance of the cosmic string signals using the Fisher combined probability test. We find that this method allows for detection of cosmic strings with Gμ > 5 × 10{sup −8}, which would be improvement over current limits by a factor of about 3.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

A moment-convergence method for stochastic analysis of biochemical reaction networks

Traditional moment-closure methods need to assume that high-order cumulants of a probability distribution approximate to zero. However, this strong assumption is not satisfied for many biochemical reaction networks. Here, we introduce convergent moments (defined in mathematics as the coefficients in the Taylor expansion of the probability-generating function at some point) to overcome this drawback of the moment-closure methods. As such, we develop a new analysis method for stochastic chemical kinetics. This method provides an accurate approximation for the master probability equation (MPE). In particular, the connection between low-order convergent moments and rate constants can be more easily derived in terms of explicit and analytical forms, allowing insights that would be difficult to obtain through direct simulation or manipulation of the MPE. In addition, it provides an accurate and efficient way to compute steady-state or transient probability distribution, avoiding the algorithmic difficulty associated with stiffness of the MPE due to large differences in sizes of rate constants. Applications of the method to several systems reveal nontrivial stochastic mechanisms of gene expression dynamics, e.g., intrinsic fluctuations can induce transient bimodality and amplify transient signals, and slow switching between promoter states can increase fluctuations in spatially heterogeneous signals. The overall approach has broad applications in modeling, analysis, and computation of complex biochemical networks with intrinsic noise.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Electronic structures of [001]- and [111]-oriented InSb and GaSb free-standing nanowires

We report on a theoretical study of the electronic structures of InSb and GaSb nanowires oriented along the [001] and [111] crystallographic directions. The nanowires are described by atomistic, tight-binding models, including spin-orbit interaction. The band structures and the wave functions of the nanowires are calculated by means of a Lanczos iteration algorithm. For the [001]-oriented InSb and GaSb nanowires, the systems with both square and rectangular cross sections are considered. Here, it is found that all the energy bands are doubly degenerate. Although the lowest conduction bands in these nanowires show good parabolic dispersions, the top valence bands show rich and complex structures. In particular, the topmost valence bands of the nanowires with a square cross section show a double maximum structure. In the nanowires with a rectangular cross section, this double maximum structure is suppressed, and the top valence bands gradually develop into parabolic bands as the aspect ratio of the cross section is increased. For the [111]-oriented InSb and GaSb nanowires, the systems with hexagonal cross sections are considered. It is found that all the bands at the Γ-point are again doubly degenerate. However, some of them will split into non-degenerate bands when the wave vector moves away from the Γ-point. Although the lowest conduction bands again show good parabolic dispersions, the topmost valence bands do not show the double maximum structure. Instead, they show a single maximum structure with its maximum at a wave vector slightly away from the Γ-point. The wave functions of the band states near the band gaps of the [001]- and [111]-oriented InSb and GaSb nanowires are also calculated and are presented in terms of probability distributions in the cross sections. It is found that although the probability distributions of the band states in the [001]-oriented nanowires with a rectangular cross section could be qualitatively described by one-band effective mass theory, the probability distributions of the band states in the [001]-oriented nanowires with a square cross section and the [111]-oriented nanowires with a hexagonal cross section show characteristic patterns with symmetries closely related to the irreducible representations of the relevant double point groups and, in general, go beyond the prediction of a simple one-band effective mass theory. We also investigate the effects of quantum confinement on the band structures of the [001]- and [111]-oriented InSb and GaSb nanowires and present an empirical formula for the description of quantization energies of the band edge states in the nanowires, which could be used to estimate the enhancement of the band gaps of the nanowires as a result of quantum confinement. The size dependencies of the electron and hole effective masses in these nanowires are also investigated and discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Improved Bayesian Infrasonic Source Localization for regional infrasound

The Bayesian Infrasonic Source Localization (BISL) methodology is examined and simplified providing a generalized method of estimating the source location and time for an infrasonic event and the mathematical framework is used therein. The likelihood function describing an infrasonic detection used in BISL has been redefined to include the von Mises distribution developed in directional statistics and propagation-based, physically derived celerity-range and azimuth deviation models. Frameworks for constructing propagation-based celerity-range and azimuth deviation statistics are presented to demonstrate how stochastic propagation modelling methods can be used to improve the precision and accuracy of the posterior probability density function describing the source localization. Infrasonic signals recorded at a number of arrays in the western United States produced by rocket motor detonations at the Utah Test and Training Range are used to demonstrate the application of the new mathematical framework and to quantify the improvement obtained by using the stochastic propagation modelling methods. Moreover, using propagation-based priors, the spatial and temporal confidence bounds of the source decreased by more than 40 per cent in all cases and by as much as 80 per cent in one case. Further, the accuracy of the estimates remained high, keeping the ground truth within the 99 per cent confidence bounds for all cases.

58 GEOSCIENCES↗
DOE OSTI2024

Coverage, repulsion, and reactivity of hydrogen on High-Entropy alloys

Modeling hydrogen evolution reaction (HER) activity probability on IrPdPtRhRu(1 1 1) high-entropy alloys. Determining hydrogen coverages based on ligand effects and generalized hydrogen–hydrogen repulsion. The rate of H 2 formation is highly impacted by the level of hydrogen coverage on the catalyst surface. In search of optimal catalytic properties high-entropy alloys (HEA) are promising candidates that utilize the compositional space of multiple elements. Based on simulations of HEA model (1 1 1) surfaces with a range of hydrogen coverages, distributions of binding energies are used to construct a framework that approximates the probability that adsorbed hydrogen may lead to the formation of H 2 as a function of applied potential. By optimizing the alloy compositions for the highest activity probability at given potentials the best and most efficient catalyst candidates for HER can be identified. Treating hydrogen–hydrogen repulsion effects and binding energy separately, we find that the repulsion is larger for HEAs than for pure metals. Differing isotherm slopes in the mean adsorption and desorption energies demonstrate a possible hysteresis for hydrogen adsorption on HEAs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Exact PDF equations and closure approximations for advective-reactive transport

Mathematical models of advection–reaction phenomena rely on advective flow velocity and (bio) chemical reaction rates that are notoriously random. By using functional integral methods, we derive exact evolution equations for the probability density function (PDF) of the state variables of the advection–reaction system in the presence of random transport velocity and random reaction rates with rather arbitrary distributions. These PDF equations are solved analytically for transport with deterministic flow velocity and a linear reaction rate represented mathematically by a heterog eneous and strongly-correlated random field. Our analytical solution is then used to investigate the accuracy and robustness of the recently proposed large-eddy diffusivity (LED) closure approximation [1]. We find that the solution to the LED-based PDF equation, which is exact for uncorrelated reaction rates, is accurate even in the presence of strong correlations and it provides an upper bound of predictive uncertainty.

PDF methods, Uncertainty quantification, Heterogen↗
DOE OSTI2011

Aneutronic H + {sup 11}B nuclear fusion driven by Coulomb explosion of hydrogen nanodroplets

We consider a reaction design for table-top nuclear fusion between two distinct nuclei, with high-energy nuclei being produced by a Coulomb explosion (CE) of homonuclear nanodroplets of one reagent reacting with a solid target of a second reagent. This scheme was applied for a theoretical-computational study of the table-top aneutronic p+{sup 11}B{yields}3{alpha}+8.7 MeV reaction generated by a source of high-energy (0.3-6 MeV) protons produced by a CE of hydrogen nanodroplets driven by ultra-intense, femtosecond, near-infrared laser pulses and which penetrate into a solid {sup 11}B target. The averaged reaction probability and the yield for {sup 11}B(p,{alpha})2{alpha} fusion were calculated from the energy-dependent reaction probability, which was obtained from the ratio of the large fusion cross sections and the stopping power of the protons, and by the proton kinetic energy distribution function, which was obtained from scaled electron and ion dynamics simulations. The fusion yields were determined in the nanodroplet size range and in the laser intensity domain, satisfying the conditions of weak laser intensity attenuation within a single nanodroplet and within an assembly of exploding nanodroplets in the macroscopic plasma filament. The highest values of the fusion yield of 10{sup 8} per laser pulse were attained for the largest nanodroplets with initial radii of 200 nm at the laser peak intensity of 10{sup 19} W cm{sup -2}. The {sup 11}B(p,{alpha})2{alpha} fusion yields for the exploding hydrogen nanodroplet source-solid {sup 11}B cylindrical target are higher by three to four orders of magnitude than the yields of 10{sup 4}-10{sup 5} per laser pulse from a laser-irradiated mixed boron-hydrocarbon solid and from a CE of boron-hydrogen heteronuclear nanodroplets. The high efficiency for fusion within the exploding nanodroplets source-cylindrical solid target design provides guidelines for the optimization of yields for table-top nuclear fusion.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

LIKELIHOOD OF THE POWER SPECTRUM IN COSMOLOGICAL PARAMETER ESTIMATION

The likelihood function is a crucial element of parameter estimation. In analyses of galaxy overdensities and weak lensing shear, one often approximates the likelihood of the power spectrum with a Gaussian distribution. The posterior probability derived from such a likelihood deviates considerably from the exact posterior on the largest scales probed by any survey, where the central limit theorem does not apply. We show that various forms of Gaussian likelihoods can have a significant impact on the estimation of the primordial non-Gaussianity parameter f{sub NL} from the galaxy angular power spectrum. The Gaussian plus log-normal likelihood, which has been applied successfully in analyses of the cosmic microwave background, outperforms the Gaussian likelihoods. Nevertheless, even if the exact likelihood of the power spectrum is used, the estimated parameters may be still biased. As such, the likelihoods and estimators need to be thoroughly examined for potential systematic errors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Differential cross section for the {sup 16}O(t, p){sup 18}O reaction and determination of the size of the two-neutron periphery in the {sup 18}O nucleus

Within the theoretical formalism that combines a four-body problem with themultiparticle shell model, it is shown that the cross section for the dineuteron-stripping mechanism is consistent with the experimental angular distribution of protons from the {sup 16}O(t, p){sup 18}O reaction. This makes it possible to find the wave function for the relative motion of the dineutron and {sup 16}O and to obtain thereby the probability density W(r) for the dineutron in {sup 18}O, the nn–{sup 16}O interaction potential, and the root-mean-square distance 〈L〉{sub nn} between the dineutron and {sup 16}O. The respective calculations reveal that, at r ≈ 8 fm, the dineutron probability density and a rather deep nn–{sup 16}O potential become negligible, which leads to the absence of a dineuntron periphery in {sup 18}O. It seems that one can explain this fact by a rather large value (12.19 MeV) of the dineutron binding energy in this nucleus. Thus, the {sup 18}O nucleus is quite compact an object, despite the excess of two neutrons, and has a neutron skin rather than a periphery.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

A Measure Approximation for Distributionally Robust PDE-Constrained Optimization Problems

In numerous applications, scientists and engineers acquire varied forms of data that partially characterize the inputs to an underlying physical system. This data is then used to inform decisions such as controls and designs. Consequently, it is critical that the resulting control or design is robust to the inherent uncertainties associated with the unknown probabilistic characterization of the model inputs. Here in this work, we consider optimal control and design problems constrained by partial differential equations with uncertain inputs. We do not assume a known probabilistic model for the inputs, but rather we formulate the problem as a distributionally robust optimization problem where the outer minimization problem determines the control or design, while the inner maximization problem determines the worst-case probability measure that matches desired characteristics of the data. We analyze the inner maximization problem in the space of measures and introduce a novel measure approximation technique, based on the approximation of continuous functions, to discretize the unknown probability measure. Finally, we prove consistency of our approximated min-max problem and conclude with numerical results.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2010

Fermions from classical statistics

We describe fermions in terms of a classical statistical ensemble. The states {tau} of this ensemble are characterized by a sequence of values one or zero or a corresponding set of two-level observables. Every classical probability distribution can be associated to a quantum state for fermions. If the time evolution of the classical probabilities p{sub {tau}} amounts to a rotation of the wave function q{sub {tau}}(t)={+-}{radical}(p{sub {tau}}(t)), we infer the unitary time evolution of a quantum system of fermions according to a Schroedinger equation. We establish how such classical statistical ensembles can be mapped to Grassmann functional integrals. Quantum field theories for fermions arise for a suitable time evolution of classical probabilities for generalized Ising models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Implementing phase-covariant cloning in circuit quantum electrodynamics

An efficient scheme is proposed to implement phase-covariant quantum cloning by using a superconducting transmon qubit coupled to a microwave cavity resonator in the strong dispersive limit of circuit quantum electrodynamics (QED). By solving the master equation numerically, we plot the Wigner function and Poisson distribution of the cavity mode after each operation in the cloning transformation sequence according to two logic circuits proposed. The visualizations of the quasi-probability distribution in phase-space for the cavity mode and the occupation probability distribution in the Fock basis enable us to penetrate the evolution process of cavity mode during the phase-covariant cloning (PCC) transformation. With the help of numerical simulation method, we find out that the present cloning machine is not the isotropic model because its output fidelity depends on the polar angle and the azimuthal angle of the initial input state on the Bloch sphere. The fidelity for the actual output clone of the present scheme is slightly smaller than one in the theoretical case. The simulation results are consistent with the theoretical ones. This further corroborates our scheme based on circuit QED can implement efficiently PCC transformation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Field ionization of Rydberg atoms in a single-cycle pulse

Here, we study the ionization of Rydberg atoms in a single-cycle-pulse electric field based on both classical and quantum calculations. The ionization-probability curve exhibits a “ripple” structure as a function of the pulse duration and the field amplitude. These ripple structures are found to be dependent on the angular distribution of the initial state. A large electron-emission asymmetry is observed, and the ionized electron is almost completely emitted to one side of the atom except when the pulse length is roughly one Rydberg period. In both the long-pulse and the short-pulse regimes, larger electron energy can be expected from the ionization of lower-lying Rydberg states, matching the observation in a recent experiment [S. Li and R. R. Jones, Phys. Rev. Lett. 112, 143006 (2014)]. This trend is closely related to the electron-emission asymmetry associated with the field-direction change in a single-cycle pulse. The possible implications of the different energy transfer in a single-cycle pulse from that in a multicycle pulse are also discussed briefly for the strong-field ionization of the ground atomic state.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Basis light-front quantization for a chiral nucleon-pion Lagrangian

We present the first application of the basis light-front quantization method to a simple chiral model of the nucleon-pion system as a relativistic bound state for the physical proton. In this work, the light-front mass-squared matrix of the nucleon-pion system is obtained within a truncated basis. The mass and the corresponding light-front wave function (LFWF) of the proton are computed by numerical diagonalization of the resulting mass-squared matrix. With the boost-invariant LFWF, we calculate the probability density distribution of the pion's longitudinal momentum fraction and the Dirac form factor of the proton.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗