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DOE OSTI2018

Investigation of Liquid Cloud Microphysical Properties of Deep Convective Systems: 2. Parameterization of Raindrop Size Distribution and its Application for Convective Rain Estimation

The liquid cloud microphysical properties for stratiform rain (SR) have been investigated in Part 1 of this series. Since convective rain (CR) has characteristics in raindrop size distribution (DSD) and precipitation that are distinct from SR, we investigate the CR properties in this study by using 20 hr of CR samples collected by 17 Automatic Parsivel Units disdrometers during the Midlatitude Continental Convective Clouds Experiment over the Atmospheric Radiation Measurement Southern Great Plains site. A full spectrum of DSD is constructed based on a total of 23 size channels (0.321 to 9.785 mm), and both Gamma and Exponential fitted functions are applied to extract the DSD shape parameters. Compared to SR properties, CR has distinct features including broader size range and narrower exponential slope parameter (λ E ). These results indicate that the assumption of constant exponential intercept parameter ( N 0E ) is inappropriate for CR rain rate estimates. Additionally, the subsetting scheme of the CR DSD spectra also has a strong impact on the Gamma/Exponential functions. Therefore, a new CR DSD parameterization scheme is developed by choosing the appropriate spectra subset with the constraint of rain rate and using the constant λ E instead of constant N 0E . With the input of the radar reflectivity at the lowest observed height, the newly calculated CR rain rates match well with the collocated surface rain gauge measurements (127 Mesonet stations and 17 Automatic Parsivel Units), while the rain rates calculated using traditional Z-R relationship are 3–4 times larger, indicating that constant λ E is a better assumption for CR DSD.

58 GEOSCIENCES↗

NASA NTRS1988

Interactive grid generation for fighter aircraft geometries

An interactive procedure to construct grids about fighter aircraft configurations using a 'state-of-the-art' workstation is described. A multiple-block grid topology is used to minimize grid skewness. Grid points on the surface of a configuration are precomputed and stored on the faces of appropriate blocks. Grid points at intermediate and far field boundary surfaces are computed with analytical functions and stored on appropriate faces. Grid points in the interior of blocks are computed using transfinite interpolation with Lagrangian and exponential blending functions. Interactive software has been written for the IRIS 3030 graphics workstation to control the shape and spacing of grid points on intermediate and far field boundaries, and to control the interior interpolation.

Smith, Robert E.↗

DOE OSTI2025

Triangle Method for Dense ReLU Layers [SWR-25-72]

This software is an implementation of the methods for initializing and training neural networks to be more efficient per parameter, described more fully below and in the related publication: In theory, depth should make a ReLU network EXPONENTIALLY more efficient by enabling it to produce an exponential number of piecewise linear sections in its output. This reasoning is largely based on the work of mathematicians that have hand-constructed networks that make good use of depth. In practice however, even very deep ReLU networks that have been randomly initialized will behave identically to their shallow counterparts - missing an entire exponential dimension of efficiency. The triangle method is a first attempt at realizing the exponential potential of deep networks. Instead of randomly setting weights, we force pairs of neurons in each layer learn to build triangles (i.e. functions from [0,1] -> [0,1] that look like triangles). This is a very efficient pattern for generating lots of linear pieces because composing two triangular functions doubles the number of pieces with each composition. The triangle method is more than just a different initialization, it is a new paradigm of training. Instead of making direct updates to the matrix weights, we do an extra step of backpropagation to collect the derivatives of the loss function with respect to the shapes of the triangles, training them to tilt left or right. This process essentially holds the networks hand throughout the loss landscape and forces it to always use depth effectively by producing triangular shapes internally. This can produce several orders of magnitude of improvement on convex one-dimensional regression problems. Much more theoretical work is needed to realize its full potential beyond this context, but the implementation in this repository will still work in arbitrary numbers of dimensions. The file Triangle_Method.py is a generalized form of the method that will build each neuron its own custom 1-d convex activation function (with exponential efficiency). Example usage on one dimensional problems can be found in Example_Usage.ipynb and an example of using this in a real neural network can be found in Example_VGG16_CIFAR10.ipynb.

Milkert, Max [National Renewable Energy Laboratory↗

DOE OSTI2012

Inhomogeneous linewidth broadening and radiative lifetime dispersion of size dependent direct bandgap radiation in Si quantum dot

The SiO{sub x} (SiO{sub x}:Si-QDs) with buried Si quantum dots (Si-QDs) is synthesized by plasma-enhanced chemical vapor deposition (PECVD), and the size-dependent wave-function of Si-QDs embedded in Si-rich SiO{sub 2} matrix is experimentally and theoretically analyzed to reformulate its bandgap energy as E{sub g}(d) = 1.12+5.83/d{sup 1.78}. The photoluminescent lifetime of Si-QDs is dominated by the non-phonon assisted radiative recombination. Shrinking the Si-QD size from 4.3 to 1.9 nm increases the overlapping probability of electron-hole wave-functions in Si-QD to shorten the non-phonon assisted radiative lifetime from 6.3 {mu}s to 83 ns. Fitting the time-resolved photoluminescence trace with a stretched exponential decay function reveals a lifetime dispersion factor. The lifetime dispersion greatly reduced from 0.8 to 0.39 by enlarging the size distribution of Si-QDs from 0.2 to 1.1 nm, which elucidates the inhomogeneous linewidth broadening feature of Si-QDs. Based on the simulation of non-phonon assisted recombination process, the full-band stretched exponential decay analysis confirms the correlation between inhomogeneous linewidth broadening and lifetime dispersion in Si-QDs.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Performance and state-space analyses of systems using Petri nets

The goal of any modeling methodology is to develop a mathematical description of a system that is accurate in its representation and also permits analysis of structural and/or performance properties. Inherently, trade-offs exist between the level detail in the model and the ease with which analysis can be performed. Petri nets (PN's), a highly graphical modeling methodology for Discrete Event Dynamic Systems, permit representation of shared resources, finite capacities, conflict, synchronization, concurrency, and timing between state changes. By restricting the state transition time delays to the family of exponential density functions, Markov chain analysis of performance problems is possible. One major drawback of PN's is the tendency for the state-space to grow rapidly (exponential complexity) compared to increases in the PN constructs. It is the state space, or the Markov chain obtained from it, that is needed in the solution of many problems. The theory of state-space size estimation for PN's is introduced. The problem of state-space size estimation is defined, its complexities are examined, and estimation algorithms are developed. Both top-down and bottom-up approaches are pursued, and the advantages and disadvantages of each are described. Additionally, the author's research in non-exponential transition modeling for PN's is discussed. An algorithm for approximating non-exponential transitions is developed. Since only basic PN constructs are used in the approximation, theory already developed for PN's remains applicable. Comparison to results from entropy theory show the transition performance is close to the theoretic optimum. Inclusion of non-exponential transition approximations improves performance results at the expense of increased state-space size. The state-space size estimation theory provides insight and algorithms for evaluating this trade-off.

Watson, James Francis, III↗

NASA NTRS2004

Further Improvement in 3DGRAPE

3DGRAPE/AL:V2 denotes version 2 of the Three-Dimensional Grids About Anything by Poisson's Equation with Upgrades from Ames and Langley computer program. The preceding version, 3DGRAPE/AL, was described in Improved 3DGRAPE (ARC-14069) NASA Tech Briefs, Vol. 21, No. 5 (May 1997), page 66. These programs are so named because they generate volume grids by iteratively solving Poisson's Equation in three dimensions. The grids generated by the various versions of 3DGRAPE have been used in computational fluid dynamics (CFD). The main novel feature of 3DGRAPE/AL:V2 is the incorporation of an optional scheme in which anisotropic Lagrange-based trans-finite interpolation (ALBTFI) is coupled with exponential decay functions to compute and blend interior source terms. In the input to 3DGRAPE/AL:V2 the user can specify whether or not to invoke ALBTFI in combination with exponential-decay controls, angles, and cell size for controlling the character of grid lines. Of the known programs that solve elliptic partial differential equations for generating grids, 3DGRAPE/AL:V2 is the only code that offers a combination of speed and versatility with most options for controlling the densities and other characteristics of grids for CFD.

Alter, Stephen↗

NASA NTRS1972

Compression of transmission bandwidth requirements for a certain class of band-limited functions.

A study of source-encoding techniques that afford a reduction of data-transmission rates is made with particular emphasis on the compression of transmission bandwidth requirements of band-limited functions. The feasibility of bandwidth compression through analog signal rooting is investigated. It is found that the N-th roots of elements of a certain class of entire functions of exponential type possess contour integrals resembling Fourier transforms, the Cauchy principal values of which are compactly supported on an interval one N-th the size of that of the original function. Exploring this theoretical result, it is found that synthetic roots can be generated, which closely approximate the N-th roots of a certain class of band-limited signals and possess spectra that are essentially confined to a bandwidth one N-th that of the signal subjected to the rooting operation. A source-encoding algorithm based on this principle is developed that allows the compression of data-transmission requirements for a certain class of band-limited signals.

Smith, I. R.↗

DOE OSTI2023

Quantum Information Science in High Energy Physics at the Large Hadron Collider (Final Report-QuantISED)

We pursue scientific research at the interface of High Energy Physics and Quantum Information Science. This includes studies of thermal radiation and quantum entanglement in high-energy collisions at the Large Hadron Collider (LHC), with special emphasis on entanglement entropy and the Higgs boson. This project has also been extended to include quantum entanglement and charged current weak interactions using Fermilab results. And most recently, we have begun tests of the temporal entanglement using LHC data. Collider experiments such as proton-proton collisions at the LHC yield hadrons that exhibit an exponential behavior at low transverse momenta. This surprising behavior is seen in data from both the ATLAS and CMS collaborations. We attribute this phenomenon to quantum entanglement between the regions in the nucleon wave function. The exponential component to the transverse momentum distribution is a result of thermal radiation that is akin to Hawking or Unruh radiation that should exist at the event horizon of astrophysical black holes and neutron stars. The Principal Investigator, in collaboration with a theoretical physicist at Stony Brook University and Brookhaven National Laboratory, and with Yale University students, has shown evidence for this thermal radiation in several production and decay processes in the ATLAS and CMS data, and its connection to entanglement entropy (O.K. Baker and D.E Kharzeev, Phys. Rev. D 98, 054007 (2018)), including even the Higgs boson sector. Interestingly, this thermal behavior is also seen in momentum distributions of charged current weak interactions according to our studies. These findings suggest a deep connection between quantum entanglement (entanglement entropy) and thermalization in both hadron collisions at the energy frontier and neutrino scattering at the intensity frontier. We have confirmed the proposed relation between the effective temperature and the hard-scattering scale at lower energies using the most recent LHC data for the following systems: Higgs bosons, top quarks, and charged hadrons. Additionally, we have results for hadron production in neutrino scattering from nuclei using Fermilab weak interaction data. This study is carried out using data from the MINERvA collaboration. In those cases where entanglement is expected, there is an exponential component to the momentum distribution, while this component is absent in those processes where no entanglement is expected. This research thus tests the hypothesis about a link between quantum entanglement and thermalization in strong and weak interactions. See Phys Lett B 811, 135948 (2020). We also initiated research applying a quantum search algorithm (Grover's Algorithm) to LHC data. This quantum algorithm was used to show how rare events in LHC data can be searched for in large, unsorted databases, with quadratic speedup compared to classical search algorithms on classical computers. See "Application of a Quantum Search Algorithm to High- Energy Physics Data at the Large Hadron Collider", arXiv:2010.00649 [quant-ph].

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

Study of static and dynamic magnetic properties of Fe nanoparticles composited with activated carbon

Nanocomposite of Fe nanoparticles with activated carbon has been synthesized to alter the magnetic spin-spin interaction and hence study the dilution effect on the static and dynamic magnetic properties of the Fe nanoparticle system. Transmission electron microscopic (TEM) image shows the spherical Fe nanoparticles dispersed in carbon matrix with 13.8 nm particle size. Temperature dependent magnetization measurement does not show any blocking temperature at all, right up to the room temperature. Magnetic hysteresis curve, taken at 300 K, shows small value of the coercivity and this small hysteresis indicates the presence of an energy barrier and inherent magnetization dynamics. Langevin function fitting of the hysteresis curve gives almost similar value of particle size as obtained from TEM analysis. Magnetic relaxation data, taken at a temperature of 100 K, were fitted with a combination of two exponentially decaying function. This diluted form of nanoparticle system, which has particles size in the superparamagnetic limit, behaves like a dilute ensemble of superspins with large value of the magnetic anisotropic barrier.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2013

A basis in an invariant subspace of analytic functions

The existence problem for a basis in a differentiation-invariant subspace of analytic functions defined in a bounded convex domain in the complex plane is investigated. Conditions are found for the solvability of a certain special interpolation problem in the space of entire functions of exponential type with conjugate diagrams lying in a fixed convex domain. These underlie sufficient conditions for the existence of a basis in the invariant subspace. This basis consists of linear combinations of eigenfunctions and associated functions of the differentiation operator, whose exponents are combined into relatively small clusters. Necessary conditions for the existence of a basis are also found. Under a natural constraint on the number of points in the groups, these coincide with the sufficient conditions. That is, a criterion is found under this constraint that a basis constructed from relatively small clusters exists in an invariant subspace of analytic functions in a bounded convex domain in the complex plane. Bibliography: 25 titles.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1978

The velocity distribution of interstellar gas observed in strong UV absorption lines

Observations of three strong interstellar UV absorption lines of N I (1199 A), N II (1083 A), and Si III (1206 A) in 47 stars of widely varying distance and a variety of spectral types are analyzed to obtain a velocity distribution function for the interstellar gas. A technique based on the maximum and minimum velocities observed along a line of sight is adopted because of heavy line blending, and results are discussed for both power-law and exponential distribution functions. The expected distribution of radiative-phase supernova remnants (SNRs) in the interstellar medium is calculated as a function of SNR birthrate and of the interstellar density in which they evolve. The results are combined with observed distance estimates, and it is shown that an interstellar density in excess of 0.1 per cu cm would be required to keep the SNRs sufficiently confined so that their cross sections are consistent with the observed number of components. The alternative possibility is considered that SNRs do not enter the radiative phase before escaping from the Galaxy or colliding with neighboring remnants.

Cowie, L. L.↗

NASA NTRS1992

Scattering properties of Venus' surface

Radar backscatter functions Sigma-(carat)(sub 0)(phi) for incidence angles between 0 less than or equal to phi less than or equal to 4-10 deg were derived from Magellan altimetry radar echoes. The procedure includes constrained solution of a system of simultaneous equations for which the echo-spectrum and echo time profile are inputs. A practical and workable set of constraints was applied; optimization and improved results are expected as the analysis matures. The scattering functions yield information on small-scale surface structures (tens of centimeters to tens of meters) but averaged over hundreds of sq km. RMS surface slopes derived from fits of analytic functions to the Sigma-(carat)(sub 0)(phi) results were converted to map form and show patterns similar to those reported using other techniques. While all three forms are found on Venus, fit residuals imply that an exponential scattering function matches data better than either the Hagfors or Gaussian form in most areas, although the Hagfors function may be a better descriptor at some sites. Limited study of image data indicates that average backscatter cross section, and possibly its slope, can be derived at oblique angles (17 deg less than or equal to phi less than or equal to 45 deg). Offsets of the echo peak in altimetry spectra are surprisingly common and are loosely correlated with Venus topography, but no cause for this phenomenon was identified.

Tyler, G. L.↗

DOE OSTI2014

Characterization of calibration curves and energy dependence GafChromic{sup TM} XR-QA2 model based radiochromic film dosimetry system

Purpose: The authors investigated the energy response of XR-QA2 GafChromic{sup TM} film over a broad energy range used in diagnostic radiology examinations. The authors also made an assessment of the most suitable functions for both reference and relative dose measurements. Methods: Pieces of XR-QA2 film were irradiated to nine different values of air kerma in air, following reference calibration of a number of beam qualities ranging in HVLs from 0.16 to 8.25 mm Al, which corresponds to effective energy range from 12.7 keV to 56.3 keV. For each beam quality, the authors tested three functional forms (rational, linear exponential, and power) to assess the most suitable function by fitting the delivered air kerma in air as a function of film response in terms of reflectance change. The authors also introduced and tested a new parameterχ = netΔR·e{sup m} {sup netΔR} that linearizes the inherently nonlinear response of the film. Results: The authors have found that in the energy range investigated, the response of the XR-QA2 based radiochromic film dosimetry system ranges from 0.222 to 0.420 in terms of netΔR at K{sub air}{sup air} = 8 cGy. For beam qualities commonly used in CT scanners (4.03–8.25 mm Al), the variation in film response (netΔR at K{sub air}{sup air} = 8 cGy) amounts to ± 5%, while variation in K{sub air}{sup air} amounts to ± 14%. Conclusions: Results of our investigation revealed that the use of XR-QA2 GafChromic{sup TM} film is accompanied by a rather pronounced energy dependent response for beam qualities used for x-ray based diagnostic imaging purposes. The authors also found that the most appropriate function for the reference radiochromic film dosimetry would be the power function, while for the relative dosimetry one may use the exponential response function that can be easily linearized.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2022

High-Temperature 2D Optical Relaxation Visualizes Enhanced Oxygen Exchange Kinetics at Metal-Mixed Conducting Oxide Interfaces

Solid-state heterointerfaces are of interest for emergent local behavior that is distinct from either bulk parent compound. One technologically relevant example is the case of mixed ionic/electronic conductor (MIEC)–metal interfaces, which play an important role in electrochemistry. Metal–MIEC composite electrodes can demonstrate improved catalytic activity vs single-phase MIECs, improving fuel cell efficiency. Similarly, MIEC surface reaction kinetics are often evaluated using techniques that place metal current collectors in contact with the surface under evaluation, potentially altering the response vs the native surface. Here, techniques enabling direct and local in situ observation of the behavior at and around such heterointerfaces are needed. Here, we develop a spatially resolved optical transmission relaxation (2D-OTR) method providing continuous evaluation of local, high-temperature, controlled atmosphere defect kinetics across a ~1 cm2 sample area simultaneously in a contact-free manner. We apply it to observe the spatial variance of oxygen incorporation and evolution rates at ~525–620 °C, in response to step changes in oxygen partial pressure, on MIEC SrTi 0.65 Fe 0.35 O 3–x films as a function of distance from porous Pt and Au layers. Using this model geometry, we find significant enhancements in kinetics adjacent to the metals that decay over a few millimeter distance. To extract kinetic parameters, we fit the short-term optical data (initial portion of relaxations) with an exponential decay function appropriate for surface-exchange-limited kinetics, yielding apparent surface exchange coefficients (k chem ) with spatial resolution, decreasing with distance from the metal. To understand the kinetic processes governing the complete (long-term) optical relaxations, we performed COMSOL simulations, which demonstrated that a combination of laterally varying k chem and in-plane diffusion controls the observed kinetics over the full time range. Further support for spatially varying kchem comes from demonstrations of changing surface and bulk chemistry vs distance from the metal–MIEC interface, by X-ray photoelectron and optical absorption spectroscopies, respectively. Although microporous Pt and Au are not excellent electrodes in isolation, both metals exert a synergistic effect on the oxygen surface exchange rate in the presence of the mixed conducting film.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

A Methodology for Actuating RCS Jets in a Continuous, Time-Accurate CFD Simulation

Computational fluid dynamics simulations of Mars entry vehicle reaction control systems have been used to gain a better understanding of the wide range of flow phenomena encountered during various phases of flight. One aspect of this is simulating the system during controlled flight. Current practices model the system in a continuously actuated state, but this methodology is unable to accurately model the dynamic behavior of the system during EDL. One method to improve this is to create a coupled CFD-RBD-Control simulation. The first step to this is establishing a method of accurately actuating an RCS jet during a time accurate CFD simulation. This paper presents a method to achieve this actuation. There are three phases to the methodology: establishing the off state, creating a ramping function that will initialize the jet flow, and establishing the on state. A test case of a jet in a supersonic crossflow is implemented to establish the success of the methodology in being able to actuate a jet in the midst of an ongoing CFD simulation. It shows significant improvement in boundary condition responsiveness for linear and exponential ramping functions in comparison to the step function. A preliminary demonstration of the methodology is presented for the MSL vehicle which shows significant advantages for the implementation of a linear ramping function over a step function.

Alexandra Hickey↗

NASA NTRSDate not supplied

A Methodology for Actuating RCS Jets in a Continuous, Time-Accurate CFD Simulation

Alexandra Hickey↗

DOE OSTI2013

Dynamic neutron scattering from conformational dynamics. I. Theory and Markov models

The dynamics of complex molecules can be directly probed by inelastic neutron scattering experiments. However, many of the underlying dynamical processes may exist on similar timescales, which makes it difficult to assign processes seen experimentally to specific structural rearrangements. Here, we show how Markov models can be used to connect structural changes observed in molecular dynamics simulation directly to the relaxation processes probed by scattering experiments. For this, a conformational dynamics theory of dynamical neutron and X-ray scattering is developed, following our previous approach for computing dynamical fingerprints of time-correlation functions [F. No , S. Doose, I. Daidone, M. L llmann, J. Chodera, M. Sauer, and J. Smith, Proc. Natl. Acad. Sci. U.S.A.108, 4822 (2011)]. Markov modeling is used to approximate the relaxation processes and timescales of the molecule via the eigenvectors and eigenvalues of a transition matrix between conformational substates. Furthermore, this procedure allows the establishment of a complete set of exponential decay functions and a full decomposition into the individual contributions, i.e., the contribution of every atom and dynamical process to each experimental relaxation process.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1974

Design data for radars based on 13.9 GHz Skylab scattering coefficient measurements

The author has identified the following significant results. Measurements made at 13.9 GHz with the radar scatterometer on Skylab have been combined to produce median curves of the variation of scattering coefficient with angle of incidence out to 45 deg. Because of the large number of observations, and the large area averaged for each measured data point, these curves may be used as a new design base for radars. A reasonably good fit at larger angles is obtained using the theoretical expression based on an exponential height correlation function and also using Lambert's law. For angles under 10 deg, a different fit based on the exponential correlation function, and a fit based on geometric optics expressions are both reasonably valid.

Moore, R. K.↗