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DOE OSTI2022

Fusion RF Modeling Machine Learning (FusionML_RF) v1.0

FusionML_RF consists of multiple codes and trained machine learning (ML) models that perform low-cost output modeling from the Genray-CQL3D. Three machine learning techniques (multilayer perceptron, random forest, and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. For example, completing a single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time. On the other hand, these ML models achieve ~ms of inference time with high accuracy across the input parameter space. This software collection consists of multiple components. (1) codes that use ML methods and precomputed Genray-CQL3D simulation output to build regression models that enable approximate computations of Genray-CLQ3D outputs from arbitrary but physically meaningful input parameters (surrogate modeling); (2) three trained models created by the team, using a database of 16,000+ GENRAY/CQL3D simulations, to study the performance of ML models for surrogate modeling; (3) codes that load the trained models and simulation data, and then compute mean squared error between the models' predictions and the ground truth of simulation output data. This collection is being made available in conjunction with a scientific publication about the work to promote reusability and provide an artifact of the scientific work.

Bai, Zhe↗

DOE OSTI2022

Towards Fast and Accurate Predictions of Radio Frequency Power Deposition and Current Profile via Data-driven Modeling

Three machine learning techniques (multilayer perceptron, random forest, and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. A single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time to complete, which is acceptable for many purposes, but too slow for integrated modeling and real-time control applications. The machine learning models use a database of 16,000+ GENRAY/CQL3D simulations for training, validation, and testing. Latin hypercube sampling methods ensure that the database covers the range of 9 input parameters ($n_{e0}$, $T_{e0}$, $I_p$, $B_t$, $R_0$, $n_{||}$, $Z_{eff}$, $V_{loop}$, $P_{LHCD}$) with sufficient density in all regions of parameter space. The surrogate models reduce the inference time from minutes to ~ms with high accuracy across the input parameter space.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1995

The use of optimal polarizations for studying the microphysics of precipitation: Nonattenuating wavelengths

The objective of this work is to explore relationships between the microphysical properties of precipitation and optimal polarizations. The dependence of three optimal polarization parameters (asymmetry ratio A, optimal tilt tau(sub op), and optimal ellipticity epsilon(sub op) on the reflectivity-weighted mean drop shape, mean canting angle, and standard deviation of a Gaussian canting angle distribution is studied. This is accomplished by using computer simulations that provide the rms scattering matrix for an ensemble of canted drops with a prescribed two-parameter canting angle distribution. Also examined are the effects of propagation on the polarization parameters for nonattenuating wavelengths. The asymmetry ratio A is simply the ratio of the maximal to minimal total backscattered energy (ratio of the largest and smallest eigenvalue of the Graves power matrix G is identically equal to S dagger S). Similar to Z(sub DR), this ratio decreases with increasing mean axial ratio, but unlike Z(sub DR), it is not affected by canting (for a single drop). The dependence of A on the reflectivity-weighted mean drop shape is examined, and a power-law relationship similar to that which exists for Z(sub DR) is established. The asymmetry ratio A can be regarded as a generalization of Z(sub DR) because it requires only a measurement of linear depolarization ratio (in addition to Z(sub DR)), is independent of the propagation phase, and is less sensitive to canting. In a similar manner, the dependence of optimal ellipticity and tilt on the microphysical parameters is studied. In particular, it appears that the rms tilt of the optimal polarization ellipse is proportional to the variance of the canting angle distribution. Several other promising relationships between optimal polarizations and the microphysical variables of an ensemble of hydrometeors are also discussed.

Kwiatkowski, John M.↗

NASA NTRS2000

Scattering/Transmission of Energetic H(sup +), He(sup +), and O(sup +) Through a Thin Composite Si/Lexan/C Foil

The need for a thin foil to serve both as an extreme ultraviolet (EUV) radiation attenuator and as a secondary electron generator for time-of-flight (TOF) instruments and energetic neutral atom (ENA) imagers has led us to test the scattering and transmission characteristics of a layered foil of nominal aerial thicknesses of 5 microns/sq cm Si, 4 microns/sq.cm Lexan ((C16)H(14)O3), and 1 micron/sq.cm C. We report the scattering and transmission results of subjecting this foil to H(sup +), He(sup +), and O(sup +) beams of energy less than 120 keV. The scattering of these particles, defined by the half-angular-width at half-maximum (HWHM), decreases with increasing energy and is found to be 10 deg for 10 keV H(sup +), 22 keV for He(sup +), and 100 keV for O(sup +). The 50% transmission threshold for these particles was found to be 3.9 keV for H(sup +), 8.6 keV for He(sup +), and 49.5 keV for O(sup +). Additionally, ion transmission shows evidence of resonance scattering from a rectangular potential independent of incident ion mass. Particularly evident is a local transmission minimum at 70 keV possessing a Gaussian-width of 20 keV. For incident energies below 50 keV, computer simulations of H+-foil interactions using SRIM96 agree well with the H(sup +) data, while yielding less scattering and higher transmission than indicated by the O(sup +) data.

Adrian, M. L.↗

NASA NTRS2003

Presumed PDF Modeling of Early Flame Propagation in Moderate to Intense Turbulence Environments

The present paper describes the results obtained from a one-dimensional time dependent numerical technique that simulates early flame propagation in a moderate to intense turbulent environment. Attention is focused on the development of a spark-ignited, premixed, lean methane/air mixture with the unsteady spherical flame propagating in homogeneous and isotropic turbulence. A Monte-Carlo particle tracking method, based upon the method of fractional steps, is utilized to simulate the phenomena represented by a probability density function (PDF) transport equation. Gaussian distributions of fluctuating velocity and fuel concentration are prescribed. Attention is focused on three primary parameters that influence the initial flame kernel growth: the detailed ignition system characteristics, the mixture composition, and the nature of the flow field. The computational results of moderate and intense isotropic turbulence suggests that flames within the distributed reaction zone are not as vulnerable, as traditionally believed, to the adverse effects of increased turbulence intensity. It is also shown that the magnitude of the flame front thickness significantly impacts the turbulent consumption flame speed. Flame conditions studied have fuel equivalence ratio s in the range phi = 0.6 to 0.9 at standard temperature and pressure.

Carmen, Christina↗

NASA NTRS2009

Structured Low-Density Parity-Check Codes with Bandwidth Efficient Modulation

In this work, we study the performance of structured Low-Density Parity-Check (LDPC) Codes together with bandwidth efficient modulations. We consider protograph-based LDPC codes that facilitate high-speed hardware implementations and have minimum distances that grow linearly with block sizes. We cover various higher- order modulations such as 8-PSK, 16-APSK, and 16-QAM. During demodulation, a demapper transforms the received in-phase and quadrature samples into reliability information that feeds the binary LDPC decoder. We will compare various low-complexity demappers and provide simulation results for assorted coded-modulation combinations on the additive white Gaussian noise and independent Rayleigh fading channels.

Crew Exploration Vehicle (CEV)↗

DOE OSTI2021

From Femtoseconds to Gigaseconds: The SolDeg Platform for the Performance Degradation Analysis of Silicon Heterojunction Solar Cells

Heterojunction Si solar cells exhibit notable performance degradation. Here, we modeled this degradation by electronic defects getting generated by thermal activation across energy barriers over time. To analyze the physics of this degradation, we developed the SolDeg platform to simulate the dynamics of electronic defect generation. First, femtosecond molecular dynamics simulations were performed to create a-Si/c-Si stacks, using the machine learning-based Gaussian approximation potential. Second, we created shocked clusters by a cluster blaster method. Third, the shocked clusters were analyzed to identify which of them supported electronic defects. Fourth, the distribution of energy barriers that control the generation of these electronic defects was determined. Fifth, an accelerated Monte Carlo method was developed to simulate the thermally activated time-dependent defect generation across the barriers. Our main conclusions are as follows. (1) The degradation of a-Si/c-Si heterojunction solar cells via defect generation is controlled by a broad distribution of energy barriers. (2) We developed the SolDeg platform to track the microscopic dynamics of defect generation across this wide barrier distribution and determined the time-dependent defect density N(t) from femtoseconds to gigaseconds, over 24 orders of magnitude in time. (3) We have shown that a stretched exponential analytical form can successfully describe the defect generation N(t) over at least 10 orders of magnitude in time. (4) We found that in relative terms, Voc degrades at a rate of 0.2%/year over the first year, slowing with advancing time. (5) We developed the time correspondence curve to calibrate and validate the accelerated testing of solar cells. We found a compellingly simple scaling relationship between accelerated and normal times t normal ∝ t accel T(accel)/T(normal) . (6) We also carried out experimental studies of defect generation in a-Si:H/c-Si stacks. We found a relatively high degradation rate at early times that slowed considerably at longer time scales.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

The DESI-Lensing Mock Challenge: large-scale cosmological analysis of 3x2-pt statistics

The current generation of large galaxy surveys will test the cosmological model by combining multiple types of observational probes. Realising the statistical promise of these new datasets requires rigorous attention to all aspects of analysis including cosmological measurements, modelling, covariance and parameter likelihood. In this paper we present the results of an end-to-end simulation study designed to test the analysis pipeline for the combination of the Dark Energy Spectroscopic Instrument (DESI) Year 1 galaxy redshift dataset and separate weak gravitational lensing information from the Kilo-Degree Survey, Dark Energy Survey and Hyper-Suprime-Cam Survey. Our analysis employs the 3x2-pt correlation functions including cosmic shear and galaxy-galaxy lensing, together with the projected correlation function of the spectroscopic DESI lenses. We build realistic simulations of these datasets including galaxy halo occupation distributions, photometric redshift errors, weights, multiplicative shear calibration biases and magnification. We calculate the analytical covariance of these correlation functions including the Gaussian, noise and super-sample contributions, and show that our covariance determination agrees with estimates based on the ensemble of simulations. We use a Bayesian inference platform to demonstrate that we can recover the fiducial cosmological parameters of the simulation within the statistical error margin of the experiment, investigating the sensitivity to scale cuts. This study is the first in a sequence of papers in which we present and validate the large-scale 3x2-pt cosmological analysis of DESI-Y1.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2010

Capacity Maximizing Constellations

Some non-traditional signal constellations have been proposed for transmission of data over the Additive White Gaussian Noise (AWGN) channel using such channel-capacity-approaching codes as low-density parity-check (LDPC) or turbo codes. Computational simulations have shown performance gains of more than 1 dB over traditional constellations. These gains could be translated to bandwidth- efficient communications, variously, over longer distances, using less power, or using smaller antennas. The proposed constellations have been used in a bit-interleaved coded modulation system employing state-ofthe-art LDPC codes. In computational simulations, these constellations were shown to afford performance gains over traditional constellations as predicted by the gap between the parallel decoding capacity of the constellations and the Gaussian capacity

Barsoum, Maged↗

NASA NTRS1999

System and Method for Finite Element Simulation of Helicopter Turbulence

The present invention provides a turbulence model that has been developed for blade-element helicopter simulation. This model uses an innovative temporal and geometrical distribution algorithm that preserves the statistical characteristics of the turbulence spectra over the rotor disc, while providing velocity components in real time to each of five blade-element stations along each of four blades. for a total of twenty blade-element stations. The simulator system includes a software implementation of flight dynamics that adheres to the guidelines for turbulence set forth in military specifications. One of the features of the present simulator system is that it applies simulated turbulence to the rotor blades of the helicopter, rather than to its center of gravity. The simulator system accurately models the rotor penetration into a gust field. It includes time correlation between the front and rear of the main rotor, as well as between the side forces felt at the center of gravity and at the tail rotor. It also includes features for added realism, such as patchy turbulence and vertical gusts in to which the rotor disc penetrates. These features are realized by a unique real time implementation of the turbulence filters. The new simulator system uses two arrays one on either side of the main rotor to record the turbulence field and to produce time-correlation from the front to the rear of the rotor disc. The use of Gaussian Interpolation between the two arrays maintains the statistical properties of the turbulence across the rotor disc. The present simulator system and method may be used in future and existing real-time helicopter simulations with minimal increase in computational workload.

McFarland, R. E.↗

NASA NTRS2017

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.↗

NASA NTRS1979

Two-dimensional representations of axisymmetric fields for computer calculations

An accurate representation of axisymmetric fields has been devised by extending the method of ideal current loops to off-axis fields. It is assumed that the data to be simulated are available through measurements or through a solution of a boundary value problem. The method provides an algebraic expression for the fields throughout a two-dimensional region of interest and eliminates the need for the axial expansion formula in approximating off-axis fields. The use of Gaussian and other functions as alternatives to the coil function is proposed. Examples of the technique in simulating a periodic permanent magnet (PPM) focusing field are presented and compared with a Fourier analysis of the problem.

Stankiewicz, N.↗

DOE OSTI2022

Multi-fidelity modeling to predict the rheological properties of a suspension of fibers using neural networks and Gaussian processes

Unveiling the rheological properties of fiber suspensions is of paramount interest to many industrial applications. There are multiple factors, such as fiber aspect ratio and volume fraction, that play a significant role in altering the rheological behavior of suspensions. Three-dimensional (3D) numerical simulations of coupled differential equations of the suspension of fibers are computationally expensive and time-consuming. Machine learning algorithms can be trained on the available data and make predictions for the cases where no numerical data are available. However, some widely used machine learning surrogates, such as neural networks, require a relatively large training dataset to produce accurate predictions. Multi-fidelity models, which combine high-fidelity data from numerical simulations and less expensive lower fidelity data from resources such as simplified constitutive equations, can pave the way for more accurate predictions. Here, we focus on neural networks and the Gaussian processes with two levels of fidelity, i.e., high and low fidelity networks, to predict the steady-state rheological properties, and compare them to the single-fidelity network. High-fidelity data are obtained from direct numerical simulations based on an immersed boundary method to couple the fluid and solid motion. The low-fidelity data are produced by using constitutive equations. Multiple neural networks and the Gaussian process structures are used for the hyperparameter tuning purpose. Results indicate that with the best choice of hyperparameters, both the multi-fidelity Gaussian processes and neural networks are capable of making predictions with a high level of accuracy with neural networks demonstrating marginally better performance.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Accelerating cosmological inference with Gaussian processes and neural networks – an application to LSST Y1 weak lensing and galaxy clustering

ABSTRACT Studying the impact of systematic effects, optimizing survey strategies, assessing tensions between different probes and exploring synergies of different data sets require a large number of simulated likelihood analyses, each of which cost thousands of CPU hours. In this paper, we present a method to accelerate cosmological inference using emulators based on Gaussian process regression and neural networks. We iteratively acquire training samples in regions of high posterior probability which enables accurate emulation of data vectors even in high dimensional parameter spaces. We showcase the performance of our emulator with a simulated 3×2 point analysis of LSST-Y1 with realistic theoretical and systematics modelling. We show that our emulator leads to high-fidelity posterior contours, with an order of magnitude speed-up. Most importantly, the trained emulator can be re-used for extremely fast impact and optimization studies. We demonstrate this feature by studying baryonic physics effects in LSST-Y1 3×2 point analyses where each one of our MCMC runs takes approximately 5 min. This technique enables future cosmological analyses to map out the science return as a function of analysis choices and survey strategy.

Astronomy & Astrophysics↗

DOE OSTI2022

Gaussian mixture model clustering algorithms for the analysis of high-precision mass measurements

The development of the phase-imaging ion-cyclotron resonance (PI-ICR) technique for use in Penning trap mass spectrometry (PTMS) increased the speed and precision with which PTMS experiments can be carried out. In PI-ICR, data sets of the locations of individual ion hits on a detector are created showing how ions cluster together into spots according to their cyclotron frequency. Ideal data sets would consist of a single, 2D-spherical spot with no other noise, but in practice data sets typically contain multiple spots, non-spherical spots, or significant noise, all of which can make determining the locations of spot centers non-trivial. A method for assigning groups of ions to their respective spots and determining the spot centers is therefore essential for further improving precision and confidence in PI-ICR experiments. Here, we present the class of Gaussian mixture model (GMM) clustering algorithms as an optimal solution. We show that on simulated PI-ICR data, several types of GMM clustering algorithms perform better than other clustering algorithms over a variety of typical scenarios encountered in PI-ICR. The mass spectra of 163Gd, 163 mGd, 162 Tb, and 162 mTb measured using PI-ICR at the Canadian Penning trap mass spectrometer were checked using GMMs, producing results that were in close agreement with the previously published values.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1999

Measuring Greenland Ice Mass Variation With Gravity Recovery and the Climate Experiment Gravity and GPS

The response of the Greenland ice sheet to climate change could significantly alter sea level. The ice sheet was much thicker at the last glacial maximum. To gain insight into the global change process and the future trend, it is important to evaluate the ice mass variation as a function of time and space. The Gravity Recovery and Climate Experiment (GRACE) mission to fly in 2001 for 5 years will measure gravity changes associated with the current ice variation and the solid earth's response to past variations. Our objective is to assess the separability of different change sources, accuracy and resolution in the mass variation determination by the new gravity data and possible Global Positioning System (GPS) bedrock uplift measurements. We use a reference parameter state that follows a dynamic ice model for current mass variation and a variant of the Tushingham and Peltier ICE-3G deglaciation model for historical deglaciation. The current linear trend is also assumed to have started 5 kyr ago. The Earth model is fixed as preliminary reference Earth model (PREM) with four viscoelastic layers. A discrete Bayesian inverse algorithm is developed employing an isotropic Gaussian a priori covariance function over the ice sheet and time. We use data noise predicted by the University of Texas and JPL for major GRACE error sources. A 2 mm/yr uplift uncertainty is assumed for GPS occupation time of 5 years. We then carry out covariance analysis and inverse simulation using GRACE geoid coefficients up to degree 180 in conjunction with a number of GPS uplift rates. Present-day ice mass variation and historical deglaciation are solved simultaneously over 146 grids of roughly 110 km x 110 km and with 6 time increments of 3 kyr each, along with a common starting epoch of the current trend. For present-day ice thickness change, the covariance analysis using GRACE geoid data alone results in a root mean square (RMS) posterior root variance of 2.6 cm/yr, with fairly large a priori uncertainties in the parameters and a Gaussian correlation length of 350 km. Simulated inverse can successfully recover most features in the reference present-day change. The RMS difference between them over the grids is 2.8 cm/yr. The RMS difference becomes 1.1 cm/yr when both are averaged with a half Gaussian wavelength of 150 km. With a fixed Earth model, GRACE alone can separate the geoid signals due to past and current load fairly well. Shown are the reference geoid signatures of direct and elastic effects of the current trend, the viscoelastic effect of the same trend starting from 5 kyr ago, the Post Glacial Rebound (PGR), and the predicted GRACE geoid error. The difference between the reference and inverse modeled total viscoelastic signatures is also shown. Although past and current ice mass variations are allowed the same spatial scale, their geoid signals have different spatial patterns. GPS data can contribute to the ice mass determination as well. Additional information is contained in the original.

Wu, Xiao-Ping↗

DOE OSTI2025

Dynamic Modeling, Trajectory Optimization, and Linear Control of Cable-Driven Parallel Robots for Automated Panelized Building Retrofits

The construction industry faces a growing need for automation to reduce costs, improve accuracy and productivity, and address labor shortages. One area that stands to benefit significantly from automation is panelized prefabricated building envelope retrofits, which can improve a building’s energy efficiency in heating and cooling interior spaces. In this paper, we propose using cable-driven parallel robots (CDPRs), which can effectively lift and handle large objects, to install these panels. However, implementing CDPRs presents significant challenges because of their nonlinear dynamics, complex trajectory planning, and precise control requirements. To tackle these challenges, this work focuses on a new application of established control and trajectory optimization theories in a CDPR simulation of a building envelope retrofit under real-world conditions. We first model the dynamics of CDPRs, highlighting the critical role of damping in system behavior. Building on this dynamic model, we formulate a trajectory optimization problem to generate feasible and efficient motion plans for the robot under operational and environmental constraints. Given the high precision required in the construction industry, accurately tracking the optimized trajectory is essential. However, challenges such as partial observability and external vibrations complicate this task. To address these issues, a Linear Quadratic Gaussian control framework is applied, enabling the robot to track the optimized trajectories with precision. Simulation results show that the proposed controller enables precise end effector positioning with errors under 4 mm, even in the presence of external wind disturbances. Through comprehensive simulations, our approach allows for an in-depth exploration of the system’s nonlinear dynamics, trajectory optimization, and control strategies under controlled yet highly realistic conditions. The results demonstrate the feasibility of CDPRs for automating panel installation and provide insights into their practical deployment.

CDPR↗

DOE OSTI2026

Extracting the Breakout Distance from the ECOT Trajectories: Gaussian Process Regression Approach

Enhanced Corner Turning (ECOT) experiments provide an important metric of performance of high explosive (HE) formulations. The breakout distance is a single scalar value that characterizes the corner turning efficiency of an HE. Extracting the breakout distance from the raw ECOT results, whether experimental or simulated, is a conceptually straightforward procedure which, however, is non-unique, especially in the presence of noise. More specifically, this procedure involves numerical smoothing and selecting particular values for parameters of this smoothing introduces human bias. In this work, we propose to use the Gaussian process regression to analyze ECOT results. This analysis involves the effective smoothing of the data, thus allowing for accurate extraction of the breakout distance. Most importantly, the parameters of this smoothing can be inferred from the ECOT data itself, rendering the approach effectively parameter-free and thus diminishing the human bias. An additional benefit of the Gaussian process regression, being a statistical inference method, is that not just the value of the breakout distance, but also its confidence interval can be extracted from the data. This report introduces the Gaussian process regression, as applied to ECOT, and demonstrates its usefulness by extracting the breakout distances for a selection of experimental and simulated data.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗