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At least 1,045 records · Page 58

A potential energy surface for the process H2 + H2O yielding H + H + H2O - Ab initio calculations and analytical representation

Extensive ab initio calculations on the ground state potential energy surface of H2 + H2O were performed using a large contracted Gaussian basis set and a high level of correlation treatment. An analytical representation of the potential energy surface was then obtained which reproduces the calculated energies with an overall root-mean-square error of only 0.64 mEh. The analytic representation explicitly includes all nine internal degrees of freedom and is also well behaved as the H2 dissociates; it thus can be used to study collision-induced dissociation or recombination of H2. The strategy used to minimize the number of energy calculations is discussed, as well as other advantages of the present method for determining the analytical representation.

Schwenke, David W.↗

Non-Gaussian Generalized Two-Mode Squeezing: Applications to Two-Ensemble Spin Squeezing and Beyond

Bosonic two-mode squeezed states are paradigmatic entangled Gaussian states that have wide utility in quantum information and metrology. Here, in this study, we show that the basic structure of these states can be generalized to arbitrary bipartite quantum systems in a manner that allows simultaneous, Heisenberg-limited estimation of two independent parameters for finite-dimensional systems. Further, we show that these general states can always be stabilized by a relatively simple Markovian dissipative process. In the specific case where the two subsystems are ensembles of two-level atoms or spins, our generalized states define a notion of two-mode spin squeezing that is valid beyond the Gaussian limit and that enables true multiparameter estimation. We discuss how generalized Ramsey measurements allow one to reach the two-parameter quantum Cramér-Rao bound, and how the dissipative preparation scheme is compatible with current experiments.

Mamaev, Mikhail [Univ. of Chicago, IL (United Stat↗

Linear-Quadratic-Gaussian Regulator Developed for a Magnetic Bearing

Linear-Quadratic-Gaussian (LQG) control is a modern state-space technique for designing optimal dynamic regulators. It enables us to trade off regulation performance and control effort, and to take into account process and measurement noise. The Structural Mechanics and Dynamics Branch at the NASA Glenn Research Center has developed an LQG control for a fault-tolerant magnetic bearing suspension rig to optimize system performance and to reduce the sensor and processing noise. The LQG regulator consists of an optimal state-feedback gain and a Kalman state estimator. The first design step is to seek a state-feedback law that minimizes the cost function of regulation performance, which is measured by a quadratic performance criterion with user-specified weighting matrices, and to define the tradeoff between regulation performance and control effort. The next design step is to derive a state estimator using a Kalman filter because the optimal state feedback cannot be implemented without full state measurement. Since the Kalman filter is an optimal estimator when dealing with Gaussian white noise, it minimizes the asymptotic covariance of the estimation error.

Choi, Benjamin B.↗

Influence of Thermophysical Property Variability on Thermal Predictions of Ti-6Al-4V

The additive manufacturing (AM) industry has experienced rapid growth in recent decades as industrial interest in the process has grown. Because of this, there are many groups interested in simulations of the AM process. However, the influence of thermophysical property variability on the melt pool geometry during processing of various AM alloys is unclear. The goal of my work at NASA Langley Research Center (LaRC) was to characterize this influence on Ti-6Al-4V during AM processing alongside developing a tool to enable equivalent studies on other AM materials. To facilitate this process, a database tool was developed to contain and organize thermophysical data previously reported by primary sources. The specific thermophysical properties of interest for this study were density, specific heat capacity, and conductivity. Thermal diffusivity was calculated using the other three properties. This data was then fit with a Gaussian distribution and then randomly sampled from using Monte Carlo random value sampling. Using the Rosenthal equation, this sample data was used to simulate the temperature field during additive manufacturing and extract the melt pool geometry. Specifically, the melt pool’s length, width, and depth. This process was repeated an arbitrary number of times, with the default being 1000. Once this information was obtained, histograms were made showing the distributions of the sizes of the melt pool’s length, width, and depth. Representative statistical metrics of the distributions were calculated (mean, standard deviation, and coefficient of variance). This work found that at the simulated processing values, the melt pool’s width and depth had a 5.7% variation while the length had a 3.2% variation. Additionally, a tool was constructed to graph a thermal color map representation of the melt pool for specific, arbitrary values of density, specific heat, and conductivity. This tool allowed for more efficient plotting of individual queries of the thermophysical properties. The results that were observed in the research were that values reported in literature vary and this variance can have a significant impact on the simulation. Predictions of the melt pool’s dimensions show that length has a standard deviation of approximately 6 μm, width has a standard deviation of approximately 5 μm, and depth can vary by approximately 3 μm. Considering the mean sizes of length, width, and depth are 185 μm, 88 μm, and 44 μm respectively, such a deviation is significant. This shows that depth, for example, could be more than 10% larger or smaller than expected. This demonstrates that variability in the reported thermophysical properties are not negligible and should be expected to have an influence on the results of the laser powder bed fusion additive manufacturing process. When simulating this process in the future, measures should be taken to account for this discrepancy and the uncertainty involved

Justin Martin↗

Computational Study of Electron-Molecule Collisions Related to Low-Temperature Plasmas

Computational study of electron-molecule collisions not only complements experimental measurements, but can also be used to investigate processes not readily accessible experimentally. A number of ab initio computational methods are available for these types of calculations. Here we describe a recently developed technique, the finite element Z-matrix method, Analogous to the R-matrix, method, it partitions the space into regions and employs real matrix elements. However, unlike the implementation of the R-matrix method commonly used in atomic and molecular physics, the Z-matrix method is fully variational. In the present implementation, a mixed basis of finite elements and Gaussians is used to represent the continuum electron, thus offering full flexibility without imposing fixed boundary conditions. Numerical examples include the electron-impact dissociation of N2 via the metastable A3Su+ state, a process which may be important in the lower thermosphere, and the dissociation of the CF radical, a process of interest to plasma etching. To understand the dissociation pathways, large scale quantum chemical calculations have been carried out for all target states which dissociate to the lowest five limits in the case of N2, and to the lowest two limits in the case of CF. For N2, the structural calculations clearly show the preference for predissociation if the initial state is the ground X1 Sg+ state, but direct dissociation appears to be preferable if the initial state is the A3Su+ state. Multi-configuration SCF target functions are used in the collisional calculation.

Huo, Winifred M.↗

A simulation of water pollution model parameter estimation

A parameter estimation procedure for a water pollution transport model is elaborated. A two-dimensional instantaneous-release shear-diffusion model serves as representative of a simple transport process. Pollution concentration levels are arrived at via modeling of a remote-sensing system. The remote-sensed data are simulated by adding Gaussian noise to the concentration level values generated via the transport model. Model parameters are estimated from the simulated data using a least-squares batch processor. Resolution, sensor array size, and number and location of sensor readings can be found from the accuracies of the parameter estimates.

Kibler, J. F.↗

An experimental study of the surface elevation probability distribution and statistics of wind-generated waves

Laboratory experiments were performed to measure the surface elevation probability density function and associated statistical properties for a wind-generated wave field. The laboratory data along with some limited field data were compared. The statistical properties of the surface elevation were processed for comparison with the results derived from the Longuet-Higgins (1963) theory. It is found that, even for the highly non-Gaussian cases, the distribution function proposed by Longuet-Higgins still gives good approximations.

Huang, N. E.↗

Incorporating Skew into RMS Surface Roughness Probability Distribution

The standard treatment of RMS surface roughness data is the application of a Gaussian probability distribution. This handling of surface roughness ignores the skew present in the surface and overestimates the most probable RMS of the surface, the mode. Using experimental data we confirm the Gaussian distribution overestimates the mode and application of an asymmetric distribution provides a better fit. Implementing the proposed asymmetric distribution into the optical manufacturing process would reduce the polishing time required to meet surface roughness specifications.

Stahl, Mark T.↗

Gaussian and click noise in an FM/FM multiplex receiver.

An FM/FM system is one in which the signal information frequency modulates a subcarrier, which, in turn, frequency modulates a main carrier for transmission. The detection process then involves two frequency demodulators in sequence. Using Rice's click model for both FM demodulators, we obtain the average click rate and an approximate output spectrum that include the effect of the impulses generated by the carrier demodulator on the subcarrier demodulation at and below threshold. We then focus on the threshold behavior of these systems and the proportioning of their modulation parameters so as to provide certain desired characteristics. We find that due to the filtering action of the second demodulator, the number of output clicks from carrier generated spikes can be orders of magnitude smaller, yet their contribution to the output noise can be much greater than that produced by the first demodulation.

Stochel, N. H.↗

Integrative Quantitative-Phase and Airy Light-Sheet Imaging

Light-sheet microscopy enables considerable speed and phototoxicity gains, while quantitative-phase imaging confers label-free organelle recognition and metabolic information that are inaccessible by conventional methods. We report the fusion of these two modalities onto a standard inverted microscope that retains compatibility with microfluidics. We describe the utilization of an accelerating Airy-beam light-sheet yielding identical imaging areas with interferometry, and an application in unmasking the effects of cellular noise on metabolic compartmentalization.

Biological sciences, Biological techniques, Micros↗

Joint cosmic density reconstruction from photometric and spectroscopic samples

ABSTRACT We reconstruct the dark matter density field from spatially overlapping spectroscopic and photometric redshift catalogues through a field-level forward modelling approach. Instead of directly inferring the underlying density field, we find the best-fitting initial Gaussian fluctuations that will evolve into the observed cosmic volume. To account for the substantial uncertainty of photometric redshifts we employ a differentiable continuous Poisson process. As an initial test, we construct a mock based on the upcoming Prime Focus Spectrograph combined with photometric sample modelled on the Subaru Hyper Suprime-Cam. Depending on the statistic of interest, we find improvements in cosmic structure classification equivalent to 50–100 per cent more spectroscopic targets by combining relatively sparse spectroscopic with dense photometric samples.

Horowitz, B.↗

Efficient near-field ptychography reconstruction using the Hessian operator

X-ray ptychography is a powerful and robust coherent imaging method providing access to the complex object and probe (illumination). Ptychography reconstruction is typically performed using first-order methods due to their computational efficiency. Higher-order methods, while potentially more accurate, are often prohibitively expensive in terms of computation. In this study, we present a mathematical framework for reconstruction using second-order information derived from an efficient computation of the bilinear Hessian and Hessian operator. The formulation is provided for Gaussian-based models, enabling the simultaneous reconstruction of the object, probe, and object positions. Synthetic data tests, along with experimental near-field ptychography data processing, demonstrate a ten-fold reduction in computation time compared to first-order methods. The derived formulas for computing the Hessians, along with the strategies for incorporating them into optimization schemes, are well-structured and easily adaptable to various ptychography problem formulations.

Carlsson, Marcus [Lund Univ. (Sweden)] (ORCID:0000↗

Pioneer Venus Sounder Probe Solar Flux Radiometer

The Solar Flux Radiometer aboard the Pioneer Venus Sounder Probe operated successfully during its descent through the atmosphere of Venus. The instrument measured atmospheric radiance over the spectral range from 400 to 1800 nm as a function of altitude. Elevation and azimuthal measurements on the radiation field were made with five optical channels. Twelve filtered Si and Ge photovoltaic detectors were maintained near 30 C with a phase-change material. The detector output currents were processed with logarithmic transimpedance converters and digitized with an 11-bit A/D converter. Atmospheric sampling in both elevation and azimuth was done according to a Gaussian integration scheme. The serial output data averaged 20 bits/sec, including housekeeping (sync, spin period, sample timing and mode). The data were used to determine the deposition of solar energy in the atmosphere of Venus between 67 km and the surface along with upward and downward fluxes and radiances with an altitude resolution of several hundred meters. The results allow for more accurate modeling of the radiation balance of the atmosphere than previously possible.

Tomasko, M. G.↗

An adaptive data-smoothing routine

An adaptive noise reduction algorithm that can be implemented on a microcomputer is developed. Smoothing polynomials are used where the polynomial coefficients are chosen such that the mean-square-error between the noisy and smoothed data is minimized. This approach is equivalent to the implementation of a low-pass finite impulse response filter. The noise reduction depends on the order of the smoothing polynomial. A whiteness test on the error sequence is incorporated to search for the optimal smoothing. Expansion coefficients may be computed via the fast Fourier transform, and the resulting smoothing process is the equivalent of the implementation of an adaptive ideal low-pass filter. Results are obtained for an analytical signal with added white Gaussian noise. The routine may be applied to any smooth signal with additive random noise.

Taylor, Clayborne D.↗

Ion Current Density Study of the NASA-300M and NASA-457Mv2 Hall Thrusters

NASA Glenn Research Center is developing a Hall thruster in the 15-50 kW range to support future NASA missions. As a part of the process, the performance and plume characteristics of the NASA-300M, a 20-kW Hall thruster, and the NASA-457Mv2, a 50-kW Hall thruster, were evaluated. The collected data will be used to improve the fidelity of the JPL modeling tool, Hall2De, which will then be used to aid the design of the 15-50 kW Hall thruster. This paper gives a detailed overview of the Faraday probe portion of the plume characterization study. The Faraday probe in this study is a near-field probe swept radially at many axial locations downstream of the thruster exit plane. Threshold-based integration limits with threshold values of 1/e, 1/e2, and 1/e3 times the local peak current density are tried for the purpose of ion current integration and divergence angle calculation. The NASA-300M is operated at 7 conditions and the NASA-457Mv2 at 14 conditions. These conditions span discharge voltages of 200 to 500 V and discharge power of 10 to 50 kW. The ion current density profiles of the near-field plume originating from the discharge channel are discovered to strongly resemble Gaussian distributions. A novel analysis approach involving a form of ray tracing is used to determine an effective point of origin for the near-field plume. In the process of performing this analysis, definitive evidence is discovered that showed the near-field plume is bending towards the thruster centerline.

Huang, Wensheng↗

Ion Current Density Study of the NASA-300M and NASA-457Mv2 Hall Thrusters

NASA Glenn Research Center is developing a Hall thruster in the 15-50 kW range to support future NASA missions. As a part of the process, the performance and plume characteristics of the NASA-300M, a 20-kW Hall thruster, and the NASA-457Mv2, a 50-kW Hall thruster, were evaluated. The collected data will be used to improve the fidelity of the JPL modeling tool, Hall2De, which will then be used to aid the design of the 15-50 kW Hall thruster. This paper gives a detailed overview of the Faraday probe portion of the plume characterization study. The Faraday probe in this study is a near-field probe swept radially at many axial locations downstream of the thruster exit plane. Threshold-based integration limits with threshold values of 1/e, 1/e(sup 2), and 1/e(sup 3) times the local peak current density are tried for the purpose of ion current integration and divergence angle calculation. The NASA-300M is operated at 7 conditions and the NASA-457Mv2 at 14 conditions. These conditions span discharge voltages of 200 to 500 V and discharge power of 10 to 50 kW. The ion current density profiles of the near-field plume originating from the discharge channel are discovered to strongly resemble Gaussian distributions. A novel analysis approach involving a form of ray tracing is used to determine an effective point of origin for the near-field plume. In the process of performing this analysis, definitive evidence is discovered that showed the near-field plume is bending towards the thruster centerline.

Huang, Wensheng↗

Data-driven Minimum Entropy Control for Stochastic Nonlinear Systems using the Cumulant-Generating Function

Here, we present a novel minimum entropy control algorithm for a class of stochastic nonlinear systems subjected to non-Gaussian noises. The entropy control can be considered as an optimization problem for the system randomness attenuation, but the mean value has to be considered separately. To overcome this disadvantage, a new representation of the system stochastic properties was given using the cumulant-generating function based on the moment-generating function, in which the mean value and the entropy was reflected by the shape of the cumulant-generating function. Based on the samples of the system output and control input, a time-variant linear model was identified, and the minimum entropy optimization was transformed to system stabilization. Then, an optimal control strategy was developed to achieve the randomness attenuation, and the boundedness of the controlled system output was analyzed. The effectiveness of the presented control algorithm was demonstrated by a numerical example. In this paper, a data-driven minimum entropy design is presented without pre-knowledge of the system model; entropy optimization is achieved by the system stabilization approach in which the stochastic distribution control and minimum entropy are unified using the same identified structure; and a potential framework is obtained since all the existing system stabilization methods can be adopted to achieve the minimum entropy objective.

42 ENGINEERING↗

Discriminative Dimensionality Reduction using Deep Neural Networks for Clustering of LIGO Data

In this paper, leveraging the capabilities of neural networks for modeling the non-linearities that exist in the data, we propose several models that can project data into a low dimensional, discriminative, and smooth manifold. The proposed models can transfer knowledge from the domain of known classes to a new domain where the classes are unknown. A clustering algorithm is further applied in the new domain to find potentially new classes from the pool of unlabeled data. The research problem and data for this paper originated from the Gravity Spy project which is a side project of Advanced Laser Interferometer Gravitational-wave Observatory (LIGO). The LIGO project aims at detecting cosmic gravitational waves using huge detectors. However non-cosmic, non-Gaussian disturbances known as "glitches", show up in gravitational-wave data of LIGO. This is undesirable as it creates problems for the gravitational wave detection process. Gravity Spy aids in glitch identification with the purpose of understanding their origin. Since new types of glitches appear over time, one of the objective of Gravity Spy is to create new glitch classes. Towards this task, we offer a methodology in this paper to accomplish this.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗