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All sources NASA NTRS DOE OSTI

DOE OSTI2022

A Decision-Making Machine Learning Approach in Hermite Spectral Approximations of Partial Differential Equations

The accuracy and effectiveness of Hermite spectral methods for the numerical discretization of partial differential equations on unbounded domains are strongly affected by the amplitude of the Gaussian weight function employed to describe the approximation space. This is particularly true if the problem is under-resolved, i.e., there are no enough degrees of freedom. The issue becomes even more crucial when the equation under study is time-dependent, forcing in this way the choice of Hermite functions where the corresponding weight depends on time. In order to adapt dynamically the approximation space, it is here proposed an automatic decision-making process that relies on machine learning techniques, such as deep neural networks and support vector machines. The algorithm is numerically tested with success on a simple 1D problem, but the main goal is its exportability in the context of more serious applications. Here we also show at the end an application in the framework of plasma physics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

Viscous Gubser flow with conserved charges to benchmark fluid simulations

We present semi-analytical solutions for the evolution of both the temperature and chemical potentials for viscous Gubser flow with conserved charges. Such a solution can be especially useful in testing numerical codes intended to simulate relativistic fluids with large chemical potentials. The freeze-out hypersurface profiles for constant energy density are calculated, along with the corresponding normal vectors, and presented as a new unit test for numerical codes. We also compare the influence of the equation of state on the semi-analytical solutions. We benchmark the newly developed smoothed particle hydrodynamics code ccake that includes both shear viscosity and three conserved charges. Here, the numerical solutions are in excellent agreement with the semi-analytical solution and are also able to accurately reproduce the hypersurface at freeze-out.

Hydrodynamic models↗

NASA NTRS1993

LVQ and backpropagation neural networks applied to NASA SSME data

Feedfoward neural networks with backpropagation learning have been used as function approximators for modeling the space shuttle main engine (SSME) sensor signals. The modeling of these sensor signals is aimed at the development of a sensor fault detection system that can be used during ground test firings. The generalization capability of a neural network based function approximator depends on the training vectors which in this application may be derived from a number of SSME ground test-firings. This yields a large number of training vectors. Large training sets can cause the time required to train the network to be very large. Also, the network may not be able to generalize for large training sets. To reduce the size of the training sets, the SSME test-firing data is reduced using the learning vector quantization (LVQ) based technique. Different compression ratios were used to obtain compressed data in training the neural network model. The performance of the neural model trained using reduced sets of training patterns is presented and compared with the performance of the model trained using complete data. The LVQ can also be used as a function approximator. The performance of the LVQ as a function approximator using reduced training sets is presented and compared with the performance of the backpropagation network.

Doniere, Timothy F.↗

DOE OSTI2023

Machine learning assisted phase and size-controlled synthesis of iron oxide particles

Synthesis of iron oxides with specific phases and particle sizes is a crucial challenge in various fields, including materials science, energy storage, biomedical applications, environmental science, and earth science. However, despite significant advances in this area, much of the current palette of particle outcomes has been based on time-consuming trial-and-error exploration of synthesis conditions. The present study was designed to explore a very different approach to 1) predict the outcome of synthesis from specified reaction parameters based on using machine learning (ML) techniques, and 2) correlate sets of parameters to obtain products with desired outcomes by a newly designed recommendation algorithm. To achieve this, four ML algorithms were tested, namely random forest, logistic regression, support vector machine, and k-nearest neighbor. Among the models, random forest outperformed the others, attaining 96% and 81% accuracy when predicting the phase and size of iron oxide particles in the test dataset. Surprisingly, the permutation feature importance analysis revealed that volume, which may strongly relate to pressure, was one of the important features, along with precursor concentration, pH, temperature, and time, influencing the phase and size of iron oxide particles during synthesis. To verify the robustness of the random forest models, prediction and experimental results were compared based on 24 randomly generated methods in additive and non-additive systems not included in the datasets. The predictions of product phase and particle size from the models agreed well with the experimental results. Furthermore, a searching and ranking algorithm was developed to recommend potential synthesis parameters for obtaining iron oxide products with the desired phase and particle size from previous studies in the dataset. Furthermore, this study lays the foundation for a closed-loop approach in materials synthesis and preparation, beginning with suggesting potential reaction parameters from the dataset and predicting potential outcomes, followed by conducting experiments and analyses, and ultimately enriching the dataset.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2008

Measurements by a Vector Network Analyzer at 325 to 508 GHz

Recent experiments were performed in which return loss and insertion loss of waveguide test assemblies in the frequency range from 325 to 508 GHz were measured by use of a swept-frequency two-port vector network analyzer (VNA) test set. The experiments were part of a continuing effort to develop means of characterizing passive and active electronic components and systems operating at ever increasing frequencies. The waveguide test assemblies comprised WR-2.2 end sections collinear with WR-3.3 middle sections. The test set, assembled from commercially available components, included a 50-GHz VNA scattering- parameter test set and external signal synthesizers, augmented with recently developed frequency extenders, and further augmented with attenuators and amplifiers as needed to adjust radiofrequency and intermediate-frequency power levels between the aforementioned components. The tests included line-reflect-line calibration procedures, using WR-2.2 waveguide shims as the "line" standards and waveguide flange short circuits as the "reflect" standards. Calibrated dynamic ranges somewhat greater than about 20 dB for return loss and 35 dB for insertion loss were achieved. The measurement data of the test assemblies were found to substantially agree with results of computational simulations.

Fung, King Man↗

NASA NTRS1993

Parallel-vector unsymmetric Eigen-Solver on high performance computers

The popular QR algorithm for solving all eigenvalues of an unsymmetric matrix is reviewed. Among the basic components in the QR algorithm, it was concluded from this study, that the reduction of an unsymmetric matrix to a Hessenberg form (before applying the QR algorithm itself) can be done effectively by exploiting the vector speed and multiple processors offered by modern high-performance computers. Numerical examples of several test cases have indicated that the proposed parallel-vector algorithm for converting a given unsymmetric matrix to a Hessenberg form offers computational advantages over the existing algorithm. The time saving obtained by the proposed methods is increased as the problem size increased.

Nguyen, Duc T.↗

DOE OSTI2020

Drag Coefficient Analysis of Arbitrary Fragment Geometry with Emphasis on Meshing Sensitivity Studies.

This report characterizes Mach number effects in the hypersonic range from Mach 3 to Mach 7 for an arbitrary, computationally generated fragment. Force and moment coefficients in the x, y, z direction were successfully obtained and resulting trends were compared with theoretical expectations. Three orientations were tested in the form of unit vectors: [1,0,0], [0,1,0], and [0,0,1]; these represent the i, j, k principle axes. The final results ultimately showcased a trend very similar to that shown in previous literature — drag coefficients for a given orientation decreased with increasing Mach number by a very small amount in the hypersonic range. It was therefore concluded that the aerodynamic quantities used to obtain the fragment trajectory at low hypersonic Mach numbers (such as Mach 3) can be used to characterize the aerodynamic qualities at higher hypersonic Mach numbers (Mach 5, 7) with a reasonably small margin. A sensitivity study was also conducted which ultimately defined drag effects as a result of changing grid spacing and normal extrusion parameters for the unstructured tetrahedral mesh used in the simulation. Further work can be done in the form of experimental validation, specifically with regards to wind tunnels and ballistic range testing. Error can be reduced by testing more mesh variabilities and capturing a larger amount of fragment orientations. The results for force and moment characteristics dependent on meshing parameters and high Mach numbers are satisfactory and consistent with expected trends.

42 ENGINEERING↗

NASA NTRS1978

A review of thrust-vectoring schemes for fighter applications

This paper presents a review of thrust vectoring schemes for advanced fighter applications. Results are presented from wind tunnel and system integration studies on thrust vectoring nozzle concepts. Vectoring data are presented from wind tunnel tests of axisymmetric C-D (convergent-divergent) and nonaxisymmetric wedge, C-D, single ramp and USB (upper-surface blowing) nozzle concepts. Results from recent airframe/nozzle integration studies on the impact of thrust vectoring on weight, cooling and performance characteristics are discussed. This review indicates that the aircraft designer has, at his disposal, a wide range of thrust vectoring schemes which offer potential for added or improved aircraft capability.

Berrier, B. L.↗

NASA NTRS2019

Mars Ascent Vehicle Hybrid Propulsion Development

Hybrid propulsion is being investigated as a propulsion method for a possible Mars Ascent Vehicle (MAV) application. MAV is part of a proposed larger Mars Sample Return (MSR) campaign plan to bring samples from Mars to earth for examination. The Mars Ascent Vehicle would launch Mars surface samples found and packaged by the Mars 2020 mission to orbit around Mars. This version of hybrid propulsion is based on a wax based solid fuel, called SP7A, and a Mixed Oxides of Nitrogen oxidizer, MON-25. SP7 is a new fuel formulation developed by Space Propulsion Group and was modified for this application to be resistant to Mars temperature extremes and modified again to lower the regression rate to become SP7A. MON-25 was chosen for its low freezing temperature. Due to cost constraints, MON-3 was the oxidizer used during testing through 2018. In 2019, full scale hybrid testing with MON-25 commenced in Mojave, CA by Whittinghill Aerospace. One flight motor will be subjected to thermal cycling in a vacuum and later fired in a vacuum to demonstrate the proposed Liquid Injection Thrust Vector Control system performance at White Sands Test Facility (WSTF). In addition, there will be MON-25 characterization work done at Purdue University and WSTF. Additional testing of subscale and full scale motors will be conducted with MON-3 with fuel grain stress, fuel grain support and case design test objectives by Space Propulsion Group Inc. of Butte, MT. This paper documents some of the testing, issues and accomplishments with the MAV hybrid propulsion option that is being considered (along with a two-stage solid propulsion option).

Story, G. T.↗

NASA NTRS1984

Analysis of the quality of image data acquired by the LANDSAT-4 Thematic Mapper and Multispectral Scanners

The geometric quality of TM film and digital products is evaluated by making selective photomeasurements and by measuring the coordinates of known features on both the TM products and map products. These paired observations are related using a standard linear least squares regression approach. Using regression equations and coefficients developed from 225 (TM film product) and 20 (TM digital product) control points, map coordinates of test points are predicted. The residual error vectors and analysis of variance (ANOVA) were performed on the east and north residual using nine image segments (blocks) as treatments. Based on the root mean square error of the 223 (TM film product) and 22 (TM digital product) test points, users of TM data expect the planimetric accuracy of mapped points to be within 91 meters and within 117 meters for the film products, and to be within 12 meters and within 14 meters for the digital products.

Colwell, R. N.↗

DOE OSTI2015

SU-E-T-428: Feasibility Study of 4D Image Reconstruction by Organ Motion Vector Extension Based On Portal Images

Purpose: To develop and to test a method to generate a new 4D CT images of the treatment day from the old 4D CT and the portal images of the day when the motion extent exceeded from that represented by plan CTs. Methods: A motion vector of a moving tumor in a patient may be extended to reconstruct the tumor position when the motion extent exceeded from that represented by plan CTs. To test this, 1. a phantom that consists of a polystyrene cylinder (tumor) embedded in cork (lung) was placed on a moving platform with 4 sec/cycle and amplitudes of 1 cm and 2 cm, and was 4D-scanned. 2. A 6MV photon beam was irradiated on the moving phantoms and cineEPID images were obtained. 3. A motion vector of the tumor was acquired from 4D CT images of the phantom with 1 cm amplitude. 4. From cine EPID images of the phantom with the 2 cm amplitude, various motion extents (0.3 cm, 0.5 cm, etc) were acquired and programmed into the motion vector, producing CT images at each position. 5. The reconstructed CT images were then compared with pre-acquired “reference” 4D CT images at each position (i.e. phase). Results: The CT image was reconstructed and compared with the reference image, showing a slight mismatch in the transition direction limited by voxel size (slice thickness) in CT image. Due to the rigid nature of the phantom studied, the modeling the displacement of the center of object was sufficient. When deformable tumors are to be modeled, more complex scheme is necessary, which utilize cine EPID and 4D CT images. Conclusion: The new idea of CT image reconstruction was demonstrated. Deformable tumor movements need to be considered in the future.

60 APPLIED LIFE SCIENCES↗

NASA NTRS1984

Vectorized multigrid Poisson solver for the CDC CYBER 205

The full multigrid (FMG) method is applied to the two dimensional Poisson equation with Dirichlet boundary conditions. This has been chosen as a relatively simple test case for examining the efficiency of fully vectorizing of the multigrid method. Data structure and programming considerations and techniques are discussed, accompanied by performance details.

Barkai, D.↗

DOE OSTI2026

Filling the gap: hunting for vector bosons at the MUonE experiment with displaced decay signature

The upcoming MUonE experiment aims to precisely measure the running of the fine structure constant via elastic muon-electron scattering, to shed light on the current tension in the muon’s anomalous magnetic moment. In addition to its primary function as a precision experiment, MUonE also offers a unique testing ground to probe long-lived vector bosons. Such vector bosons can be produced via μe → μeV or μN → μNV scattering and decay into an electron/positron pair a few centimeters away from the interaction point. With its high-resolution tracking system and unique geometric design, MUonE is well-suited to reconstruct displaced vertices close to the target, allowing it to probe parameter space previously unattainable at colliders and longer-baseline beam dump experiments. We present a comprehensive study of the discovery potential of BSM vector boson mediators at the MUonE experiment. We show that MUonE can fill the long-standing gap in the parameter space of vector boson mediators with masses up to around 100 MeV.

Models for Dark Matter↗

DOE OSTI2019

Beyond the effectiveness factor: Multi-step reactions with intraparticle diffusion limitations

Though common in many industrial chemical processes, multi-step reactions occurring within porous catalyst particles provide significant challenges to previously established modeling frameworks. In this work, a system of reaction-diffusion equations is solved analytically via eigenanalysis. The intraparticle concentration profiles are integrated over the particle volume to obtain effectiveness factors for each reacting species, referred to herein as a multi-step effectiveness vector (MEV). The MEV solution is tested for the case of uniform flow past a stationary catalyst particle with a state-of-the-art, multi-step reaction scheme for fluid catalytic cracking (FCC). Outputs from particle-resolved direct numerical simulation (DNS) are compared to outputs from ordinary differentials with effective reaction closures coming from the MEV solution, the classic single-step effectiveness factor (SEF) (R. Aris, 'The mathematical theory of diffusion and reaction in permeable catalysts: The theory of the steady state,' Oxford University Press, 1975), and utilizing the intrinsic rates as-is. When compared to DNS, the MEV solution shows excellent agreement for the formation of all species and quantitatively captures the intraparticle concentration profiles. By contrast, the intrinsic treatment shows an over-prediction for product formation and the SEF treatment shows mixed levels of accuracy that depend upon the reaction coupling. Specifically, the SEF treatment accurately characterizes product formation if the kinetic scheme is weakly coupled but shows significant departure if stronger coupling is present. The computational cost associated with the MEV solution is associated with eigendecomposition of the Thiele matrix, an N x N matrix where N is the number of reacting components. Overall, the method is shown to be relatively easy to implement and may significantly enhance the fidelity of chemical reactor simulations that employ multi-step reaction schemes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Selecting XFEL single-particle snapshots by geometric machine learning

A promising new route for structural biology is single-particle imaging with an X-ray Free-Electron Laser (XFEL). This method has the advantage that the samples do not require crystallization and can be examined at room temperature. However, high-resolution structures can only be obtained from a sufficiently large number of diffraction patterns of individual molecules, so-called single particles. Here, we present a method that allows for efficient identification of single particles in very large XFEL datasets, operates at low signal levels, and is tolerant to background. This method uses supervised Geometric Machine Learning (GML) to extract low-dimensional feature vectors from a training dataset, fuse test datasets into the feature space of training datasets, and separate the data into binary distributions of “single particles” and “non-single particles.” As a proof of principle, we tested simulated and experimental datasets of the Coliphage PR772 virus. We created a training dataset and classified three types of test datasets: First, a noise-free simulated test dataset, which gave near perfect separation. Second, simulated test datasets that were modified to reflect different levels of photon counts and background noise. These modified datasets were used to quantify the predictive limits of our approach. Third, an experimental dataset collected at the Stanford Linear Accelerator Center. The single-particle identification for this experimental dataset was compared with previously published results and it was found that GML covers a wide photon-count range, outperforming other single-particle identification methods. Moreover, a major advantage of GML is its ability to retrieve single particles in the presence of structural variability.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

Precise Measurement of the e + e − → D s + D s − Cross Section at Center-of-Mass Energies from Threshold to 4.95 GeV

Using the e + e − collision data collected with the BESIII detector operating at the BEPCII collider, at center-of-mass energies from the threshold to 4.95 GeV, we present precise measurements of the cross section for the process e + e − → D s + D s − using a single-tag method. The resulting cross section line shape exhibits several new structures, thereby offering an input for a future coupled-channel analysis and model tests, which are critical to understand vector charmonium-like states with masses between 4 and 5 GeV. Published by the American Physical Society 2024

Ablikim, M.↗

DOE OSTI2022

Space-Time Block Preconditioning for Incompressible Flow

Parallel-in-time methods have become increasingly popular in the simulation of time-dependent numerical PDEs, allowing for the efficient use of additional message passing interface processes when spatial parallelism saturates. Most methods treat the solution and parallelism in space and time separately. In contrast, all-at-once methods solve the full space-time system directly, largely treating time as simply another spatial dimension. All-at-once methods offer a number of benefits over separate treatment of space and time, most notably significantly increased parallelism and faster time to solution (when applicable). However, the development of fast, scalable all-at-once methods has largely been limited to time-dependent (advection-)diffusion problems. This paper introduces the concept of space-time block preconditioning for the all-at-once solution of incompressible flow. By extending well-known concepts of spatial block preconditioning to the space-time setting, we develop a block preconditioner whose application requires the solution of a space-time (advection-)diffusion equation in the velocity block, coupled with a pressure Schur complement approximation consisting of independent spatial solves at each time-step, and a space-time matrix-vector multiplication. The new method is tested on four classical models in incompressible flow. Finally, the results indicate perfect scalability in refinement of spatial and temporal mesh spacing, perfect scalability in nonlinear Picard iteration count when applied to a nonlinear Navier--Stokes problem, and minimal overhead in terms of number of preconditioner applications compared with sequential time-stepping.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1977

Control of nonlinear stochastic systems using adaptive estimation

A general procedure for the design of a digital controller for nonlinear stochastic systems is presented; the emphasis is on development of partitioned-adaptive control techniques which provide rapid tracking of the system state vector to follow rapid trajectory variations. Tests involving the control of a low-order nonlinear oscillator suggest that the procedure yields an effective method for achieving closed-loop performance, despite the difficulty of the control problem

Vanlandingham, H. F.↗