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At least 1,459 records · Page 81

GPR Imaging for Deeply Buried Objects: A Comparative Study Based on Compositing of Scanning Frequencies and a Chirp Excitation Function

Compositing of ground penetrating radar (GPR) scans of differing frequencies have been found to produce cleaner images at depth using the Gaussian mixture model (GMM) feature of the expectation-maximization (EM) algorithm. GPR scans at various heights (“Stand Off”), as well as ground-based scans, have been studied. In this paper, we compare the GPR response from a chirp excitation function-based radar with the response from the EM GMM algorithm compositing process, using the same mix of frequencies. A chirp excitation pulse was found to be effective in delineating the defined buried object, but the resulting image is less sharp than the GMM EM method.

58 GEOSCIENCES↗

Operator learning for predicting multiscale bubble growth dynamics

We report simulating and predicting multiscale problems that couple multiple physics and dynamics across many orders of spatiotemporal scales is a great challenge that has not been investigated systematically by deep neural networks (DNNs). Herein, we develop a framework based on operator regression, the so-called deep operator network (DeepONet), with the long-term objective to simplify multiscale modeling by avoiding the fragile and time-consuming “hand-shaking” interface algorithms for stitching together heterogeneous descriptions of multiscale phenomena. To this end, as a first step, we investigate if a DeepONet can learn the dynamics of different scale regimes, one at the deterministic macroscale and the other at the stochastic microscale regime with inherent thermal fluctuations. Specifically, we test the effectiveness and accuracy of the DeepONet in predicting multirate bubble growth dynamics, which is described by a Rayleigh–Plesset (R–P) equation at the macroscale and modeled as a stochastic nucleation and cavitation process at the microscale by dissipative particle dynamics (DPD). First, we generate data using the R–P equation for multirate bubble growth dynamics caused by randomly time-varying liquid pressures drawn from Gaussian random fields (GRFs). Our results show that properly trained DeepONets can accurately predict the macroscale bubble growth dynamics and can outperform long short-term memory networks. We also demonstrate that the DeepONet can extrapolate accurately outside the input distribution using only very few new measurements. Subsequently, we train the DeepONet with DPD data corresponding to stochastic bubble growth dynamics. Although the DPD data are noisy and we only collect sparse data points on the trajectories, the trained DeepONet model is able to predict accurately the mean bubble dynamics for time-varying GRF pressures. Taken together, our findings demonstrate that DeepONets can be employed to unify the macroscale and microscale models of the multirate bubble growth problem, hence providing new insight into the role of operator regression via DNNs in tackling realistic multiscale problems and in simplifying modeling with heterogeneous descriptions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Nonrad: Computing nonradiative capture coefficients from first principles

Point defects in semiconductor crystals provide a means for carriers to recombine nonradiatively. This recombination process impacts the performance of devices. We present the Nonrad code that implements the first-principles approach of Alkauskas et al. (2014) [8] for the evaluation of nonradiative capture coefficients based on a quantum-mechanical description of the capture process. An approach for evaluating electron-phonon coupling within the projector augmented wave formalism is presented. We also show that the common procedure of replacing Dirac delta functions with Gaussians can introduce errors into the resulting capture rate, and implement an alternative scheme to properly account for vibrational broadening. Finally, we assess the accuracy of using an analytic approximation to the Sommerfeld parameter by comparing with direct numerical evaluation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Less is More: Bigger Data from Compressive Measurements

Compressive sensing approaches are beginning to take hold in (scanning) transmission electron microscopy (S/TEM) [1,2,3]. Compressive sensing is a mathematical theory about acquiring signals in a compressed form (measurements) and the probability of recovering the original signal by solving an inverse problem [4]. The inverse problem is underdetermined (more unknowns than measurements), so it is not obvious that recovery is possible. Compression is achieved by taking inner products of the signal with measurement weight vectors. Both Gaussian random weights and Bernoulli (0,1) random weights form a large class of measurement vectors for which recovery is possible. The measurements can also be designed through an optimization process. The key insight for electron microscopists is that compressive sensing can be used to increase acquisition speed and reduce dose. Building on work initially developed for optical cameras, this new paradigm will allow electron microscopists to solve more problems in the engineering and life sciences. We will be collecting orders of magnitude more data than previously possible. The reason that we will have more data is because we will have increased temporal/spatial/spectral sampling rates, and we will be able ability to interrogate larger classes of samples that were previously too beam sensitive to survive the experiment. For example consider an in-situ experiment that takes 1 minute. With traditional sensing, we might collect 5 images per second for a total of 300 images. With compressive sensing, each of those 300 images can be expanded into 10 more images, making the collection rate 50 images per second, and the decompressed data a total of 3000 images [3]. But, what are the implications, in terms of data, for this new methodology? Acquisition of compressed data will require downstream reconstruction to be useful. The reconstructed data will be much larger than traditional data, we will need space to store the reconstructions during analysis, and the computational demands for analysis will be higher. Moreover, there will be time costs associated with reconstruction. Deep learning [5] is an approach to address these problems. Deep learning is a hierarchical approach to find useful (for a particular task) representations of data. Each layer of the hierarchy is intended to represent higher levels of abstraction. For example, a deep model of faces might have sinusoids, edges and gradients in the first layer; eyes, noses, and mouths in the second layer, and faces in the third layer. There has been significant effort recently in deep learning algorithms for tasks beyond image classification such as compressive reconstruction [6] and image segmentation [7]. A drawback of deep learning, however, is that training the model requires large datasets and dedicated computational resources (to reduce training time to a few days). A second issue is that deep learning is not user-friendly and the meaning behind the results is usually not interpretable. We have shown it is possible to reduce the data set size while maintaining model quality [8] and developed interpretable models for image classification [9], but the demands are still significant. The key to addressing these problems is to NOT reconstruct the data. Instead, we should design computational sensors that give answers to specific problems. A simple version of this idea is compressive classification [10], where the goal is to classify signal type from a small number of compressed measurements. Classification is a much simpler problem than reconstruction, so 1) much fewer measurements will be necessary, and 2) these measurements will probably not be useful for reconstruction. Other simple examples of computational sensing include determining object volume or the number of objects present in the field of view [11].

Stevens, Andrew↗

Time delay of wave packets during their tunnelling through a quantum diode

A modified saddle-point method is used to investigate the process of propagation of a wave packet through a quantum diode. A scattering matrix is constructed for the structure in question. The case of tunnelling of a packet with a Gaussian envelope through the diode is considered in detail. The time delay and the shape of the wave packet transmitted are calculated. The dependence of the delay time on the characteristics of the input packet and the internal characteristics of the quantum diode is studied. Possible applications of the results obtained are discussed. (laser applications and other topics in quantum electronics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

IMFIT: A FAST, FLEXIBLE NEW PROGRAM FOR ASTRONOMICAL IMAGE FITTING

I describe a new, open-source astronomical image-fitting program called IMFIT, specialized for galaxies but potentially useful for other sources, which is fast, flexible, and highly extensible. A key characteristic of the program is an object-oriented design that allows new types of image components (two-dimensional surface-brightness functions) to be easily written and added to the program. Image functions provided with IMFIT include the usual suspects for galaxy decompositions (Sérsic, exponential, Gaussian), along with Core-Sérsic and broken-exponential profiles, elliptical rings, and three components that perform line-of-sight integration through three-dimensional luminosity-density models of disks and rings seen at arbitrary inclinations. Available minimization algorithms include Levenberg-Marquardt, Nelder-Mead simplex, and Differential Evolution, allowing trade-offs between speed and decreased sensitivity to local minima in the fit landscape. Minimization can be done using the standard χ{sup 2} statistic (using either data or model values to estimate per-pixel Gaussian errors, or else user-supplied error images) or Poisson-based maximum-likelihood statistics; the latter approach is particularly appropriate for cases of Poisson data in the low-count regime. I show that fitting low-signal-to-noise ratio galaxy images using χ{sup 2} minimization and individual-pixel Gaussian uncertainties can lead to significant biases in fitted parameter values, which are avoided if a Poisson-based statistic is used; this is true even when Gaussian read noise is present.

79 ASTRONOMY AND ASTROPHYSICS↗

Raytracing the long trace profiler

The optical design of the Long Trace Profiler optical system is explored with a commercial raytrace program, Zemax OpticStudio™ (ZOS)1, with the intent of finding and correcting sources of systematic error. ZOS provides both geometric raytracing tools and physical optics Gaussian beam propagation and diffraction image calculation tools, and two design modes, sequential component (SC) and non-sequential component (NSC) that are optimized for different aspects of the design process. The original LTP-II system employs a singlet lens with a 1250 mm focal length. It is optimized to provide minimum distortion over a surface slope angle range of ±5 mrad. Using the ZOS tools, we are able to simulate ghost rays that produce distortion in the beam spot image and can minimize the distortion by deliberate misalignment of the beamsplitter (BS) components. Unfortunately, the reference beam is compromised because of the component tilts. The most recent LTP500 system design simplifies the optical system and makes the reference beam usable again, even with misalignment of the polarizing beamsplitter (PBS). Two lenses are designed for the LTP500 - a cemented doublet that has been fabricated, and a singlet with one aspheric surface. Both have focal distances of 500 mm with an expanded angular measurement range of ±10 mrad. The aspheric singlet provides superior performance. ZOS allows the import of wavefront measurement data produced by commercial interferometer software. We apply the wavefront error measurement from the cemented doublet to the model to show that the 19nm RMS wavefront error needs to be improved by at least a factor of ten in order to reduce the systematic error to a level that will allow the LTP to approach its design limit of a few tens of nanoradians.

Takacs, Peter Z.↗

UQ Toolkit v 2.0

The Uncertainty Quantification (UQ) Toolkit is a software library for the characterizaton and propagation of uncertainties in computational models. For the characterization of uncertainties, Bayesian inference tools are provided to infer uncertain model parameters, as well as Bayesian compressive sensing methods for discovering sparse representations of high-dimensional input-output response surfaces, and also Karhunen-Loève expansions for representing stochastic processes. Uncertain parameters are treated as random variables and represented with Polynomial Chaos expansions (PCEs). The library implements several spectral basis function types (e.g. Hermite basis functions in terms of Gaussian random variables or Legendre basis functions in terms of uniform random variables) that can be used to represent random variables with PCEs. For propagation of uncertainty, tools are provided to propagate PCEs that describe the input uncertainty through the computational model using either intrusive methods (Galerkin projection of equations onto basis functions) or non-intrusive methods (perform deterministic operation at sampled values of the random values and project the obtained results onto basis functions).

Safta, Cosmin↗

Laser amplification of incoherent radiation

The amplification of noise in a laser amplifier is treated theoretically. The model for the active medium and its description using density-matrix techniques, are taken from the theory of laser operation. The spectral behavior of the radiation in the nonlinear regime is studied and the formalism is written from the onset in the frequency domain. The statistics of the light are gradually modified by the nonlinear amplification process, and expressions are derived for the rate of change of fluctuations in intensity as a measure of statistical changes. In addition, the range of validity of Litvak's Gaussian-statistics approximation is discussed. In the homogeneous-broadening case, the evolution of initially broadband Gaussian radiation toward quasimonochromatic oscillations with laserlike statistics is explored in several numerical examples. The connections of this study with the time-domain work on self-pulsing in a ring-laser configuration, are established. Finally, spectral-narrowing and -rebroadening effects in Doppler-broadened media are discussed both analytically and with numerical examples. These examples show the distinct contribution of pulsations in the population ('Raman-type terms'), and saturation phenomena.

Menegozzi, L. N.↗

A fiber-optic probe for particle sizing in concentrated suspensions

A fiber-optic probe employing two monomode optical fibers, one for transmitting a Gaussian laser beam to the scattering volume and the second, positioned at some backscatter angle, for receiving the scattered light is described. Performance and suitability of the system for a process control environment is assessed by studying a suspension of polystyrene latex particles over a wide range of sizes and concentrations. The results show that the probe is ideal for a process control environment in industrial and laboratory applications. Particle size is recovered, without any additional corrections for multiple light scattering, in concentrations containing up to 10 percent solids of 39-nm polystyrene latex spheres.

Dhadwal, Harbans S.↗

Preliminary structural control results from the Middeck Active Control Experiment (MACE)

Results are presented of on-going closed-loop ground experiments on the MACE test article, the objective of which is to investigate the extent to which closed-loop behavior of flexible spacecraft in zero gravity can be predicted, as well as to examine orbit system identification and control reconfiguration. The MACE hardware consists of three torque wheels, a two-axis gimballing payload, inertial sensors, and a flexible support structure. With the acquisition of a second payload, this is to represent a multiple payload platform with significant structural flexibility. When linear quadratic Gaussian control is used, payload pointing accuracy is improved by an order of magnitude when disturbed by a broadband torque disturbance. The successes and failures of the design and implementation process are discussed.

Miller, David W.↗

UQ Toolkit v 2.0

The Uncertainty Quantification (UQ) Toolkit is a software library for the characterizaton and propagation of uncertainties in computational models. For the characterization of uncertainties, Bayesian inference tools are provided to infer uncertain model parameters, as well as Bayesian compressive sensing methods for discovering sparse representations of high-dimensional input-output response surfaces, and also Karhunen-Loève expansions for representing stochastic processes. Uncertain parameters are treated as random variables and represented with Polynomial Chaos expansions (PCEs). The library implements several spectral basis function types (e.g. Hermite basis functions in terms of Gaussian random variables or Legendre basis functions in terms of uniform random variables) that can be used to represent random variables with PCEs. For propagation of uncertainty, tools are provided to propagate PCEs that describe the input uncertainty through the computational model using either intrusive methods (Galerkin projection of equations onto basis functions) or non-intrusive methods (perform deterministic operation at sampled values of the random values and project the obtained results onto basis functions).

Source record↗

A Comparison of Three Random Number Generators for Aircraft Dynamic Modeling Applications

Three random number generators, which produce Gaussian white noise sequences, were compared to assess their suitability in aircraft dynamic modeling applications. The first generator considered was the MATLAB (registered) implementation of the Mersenne-Twister algorithm. The second generator was a website called Random.org, which processes atmospheric noise measured using radios to create the random numbers. The third generator was based on synthesis of the Fourier series, where the random number sequences are constructed from prescribed amplitude and phase spectra. A total of 200 sequences, each having 601 random numbers, for each generator were collected and analyzed in terms of the mean, variance, normality, autocorrelation, and power spectral density. These sequences were then applied to two problems in aircraft dynamic modeling, namely estimating stability and control derivatives from simulated onboard sensor data, and simulating flight in atmospheric turbulence. In general, each random number generator had good performance and is well-suited for aircraft dynamic modeling applications. Specific strengths and weaknesses of each generator are discussed. For Monte Carlo simulation, the Fourier synthesis method is recommended because it most accurately and consistently approximated Gaussian white noise and can be implemented with reasonable computational effort.

Grauer, Jared A.↗

Gaussian membership functions are most adequate in representing uncertainty in measurements

In rare situations, like fundamental physics, we perform experiments without knowing what their results will be. In the majority of real-life measurement situations, we more or less know beforehand what kind of results we will get. Of course, this is not the precise knowledge of the type 'the result will be between alpha - beta and alpha + beta,' because in this case, we would not need any measurements at all. This is usually a knowledge that is best represented in uncertain terms, like 'perhaps (or 'most likely', etc.) the measured value x is between alpha - beta and alpha + beta.' Traditional statistical methods neglect this additional knowledge and process only the measurement results. So it is desirable to be able to process this uncertain knowledge as well. A natural way to process it is by using fuzzy logic. But, there is a problem; we can use different membership functions to represent the same uncertain statements, and different functions lead to different results. What membership function do we choose? In the present paper, we show that under some reasonable assumptions, Gaussian functions mu(x) = exp(-beta(x(exp 2))) are the most adequate choice of the membership functions for representing uncertainty in measurements. This representation was efficiently used in testing jet engines to airplanes and spaceships.

Kreinovich, V.↗

Reconfigurable unitary transformations of optical beam arrays

Spatial transformations of light are ubiquitous in optics, with examples ranging from simple imaging with a lens to quantum and classical information processing in waveguide meshes. Multi-plane light converter (MPLC) systems have emerged as a platform that promises completely general spatial transformations, i.e., a universal unitary. However, until now, MPLC systems have demonstrated transformations that are far from general, e.g., converting from a Gaussian to Laguerre-Gauss mode. Here, we demonstrate the promise of an MLPC, the ability to impose an arbitrary unitary transformation that can be reconfigured dynamically. Specifically, we consider transformations on superpositions of parallel free-space beams arranged in an array, which is a common information encoding in photonics. We experimentally test the full gamut of unitary transformations for a system of two parallel beams and make a map of their fidelity. We obtain an average transformation fidelity of 0.85 ± 0.03. This high-fidelity suggests that MPLCs are a useful tool for implementing the unitary transformations that comprise quantum and classical information processing.

47 OTHER INSTRUMENTATION↗

Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP

Here, we present the open-source VOTCA-XTP software for the calculation of the excited-state electronic structure of molecules using many-body Green’s function theory in the GW approximation with the Bethe–Salpeter equation (BSE). This work provides a summary of the underlying theory and discusses the details of its implementation based on Gaussian orbitals, including resolution-of-identity techniques and different approaches to the frequency integration of the self-energy or acceleration by offloading compute-intensive matrix operations using graphics processing units in a hybrid OpenMP/Cuda scheme. A distinctive feature of VOTCA–XTP is the capability to couple the calculation of electronic excitations to a classical polarizable environment on an atomistic level in a coupled quantum- and molecular-mechanics (QM/MM) scheme, where a complex morphology can be imported from Molecular Dynamics simulations. The capabilities and limitations of the GW–BSE implementation are illustrated with two examples. First, we study the dependence of optically active electron–hole excitations in a series of diketopyrrolopyrrole-based oligomers on molecular-architecture modifications and the number of repeat units. Second, we use the GW–BSE/MM setup to investigate the effect of polarization on localized and intermolecular charge-transfer excited states in morphologies of low-donor content rubrene–fullerene mixtures. These showcases demonstrate that our implementation currently allows us to treat systems with up to 2500 basis functions on regular shared-memory workstations, providing accurate descriptions of quasiparticle and coupled electron–hole excited states of various characters on an equal footing.

74 ATOMIC AND MOLECULAR PHYSICS↗

Geologic evolution of the terrestrial planets

The paper presents a geologic comparison of the terrestrial planets Mercury, Venus, Earth, the Moon and Mars, in the light of the recent photogeologic and other evidence gathered by satellites, and discusses the relationships between their regional terrain types, ages, and planetary evolution. The importance of the two fundamental processes, impact cratering and volcanism, which had formed these planets are stressed and the factors making the earth unique, such as high planetary evolution index (PEI), dynamic geological agents and the plate tectonics, are pointed out. The igneous processes which dominate earth and once existed on the others are outlined together with the planetary elevations of the earth which has a bimodal distribution, the moon which has a unimodal Gaussian distribution and Mars with a distribution intermediate between the earth and moon. Questions are raised concerning the existence of a minimum planetary mass below which mantle convection will not cause lithospheric rifting, and as to whether each planet follows a separate path of evolution depending on its physical properties and position within the solar system.

Head, J. W.↗