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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Developing and applying quantifiable metrics for diagnostic and experiment design on Z

This project applies methods in Bayesian inference and modern statistical methods to quantify the value of new experimental data, in the form of new or modified diagnostic configurations and/or experiment designs. We demonstrate experiment design methods that can be used to identify the highest priority diagnostic improvements or experimental data to obtain in order to reduce uncertainties on critical inferred experimental quantities and select the best course of action to distinguish between competing physical models. Bayesian statistics and information theory provide the foundation for developing the necessary metrics, using two high impact experimental platforms on Z as exemplars to develop and illustrate the technique. We emphasize that the general methodology is extensible to new diagnostics (provided synthetic models are available), as well as additional platforms. We also discuss initial scoping of additional applications that began development in the last year of this LDRD.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1973

ATS-F Comsat Millimeter Wave Propagation Experiment

The ATS-F Comsat Millimeter Wave Propagation Experiment has been designed to gather statistical data on the attenuation caused by rain at millimeter wave frequencies. These data will be used to determine system design parameters for future communications satellite systems operating at frequencies above 10 GHz. The experiment has 39 ground terminals transmitting at 13.2 or 17.8 GHz to a transponder on board the ATS-F satellite. The transponder retransmits these signals at 4 GHz to a central earth terminal which records their amplitudes once each second. The data will be analyzed to provide probabilities of attenuation as functions of parameters such as rainfall, location, and time. These probabilities can then be used to determine the required power margins of millimeter wave communications systems. Techniques of overcoming severe attenuation such as site diversity and the use of a spot beam to increase the power level at selected locations will also be evaluated.

Westerlund, L. H.↗
DOE OSTI2021

Using statistical modeling to predict and understand fusion experiments

Over 300 cryogenic layered direct-drive inertial confinement fusion implosions have been successfully executed on the OMEGA Laser System in the last decade. However, extracting sufficient understanding from these experiments to develop new designs or to identify or mitigate degradation sources remains challenging. Recently, a statistical modeling approach was developed to successfully design and predict improved implosion experiments on OMEGA. Here, we show that one-dimensional simulations can be used to predict the outcomes of systematically perturbed three-dimensional simulations and that this statistical modeling approach can be used to identify or rule out physical mechanisms for some of the degradation sources observed on the OMEGA Laser System for direct-drive cryogenic inertial confinement fusion. In this instance, we investigate the fusion yield dependencies on the ion temperature asymmetries and laser beam size observed in experiments by comparing with trends in three-dimensional synthetic simulation databases. Using the statistical model on these systematically perturbed simulations, we find that the statistically inferred dependency on the measured ion temperature asymmetries is well explained by imposed ℓ =1 modes. However, we find that the dependency on the laser beam size is only dominated by the illumination non-uniformity for some extreme cases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Simulating the SuperCDMS Dark Matter Detector Response and Readout

Dark matter is one of the remaining great mysteries of modern physics. Cosmological and astrophysical evidence hints strongly at a new particle, or set of particles, unknown to the Standard Model, comprising some 80% of all of the matter in the universe. SuperCDMS is one of the world-leading direct-detection experiments attempting to directly measure interactions between dark and regular matter. SuperCDMS uses solid state crystalline detectors in a nearly-zero background environment to attempt to measure the particle properties of dark matter. The detectors themselves, however, are quite complex; and a very detailed understanding of the microscopic physics is helpful in analyzing the very rare events that occur within them. Furthermore, better understanding and modeling of the detectors can aid in the design and optimization of future iterations of the experiment. The SuperCDMS detectors are well-understood in ideal cases. However, an accurate understanding of the detector response to outlier events or under non-ideal conditions is important for a low-statistics experiment. This work describes the design and implementation of a low temperature condensed matter physics simulation library built on top of the popular Geant4 particle tracking framework. The library, named \Geant4 Condensed Matter Physics" or G4CMP, introduces several solid state concepts to the Geant4 framework such as crystal lattices, phonon quasiparticles, non-scalar elective masses, and implements several physics processes relevant to cryogenic temperature crystals. In addition to the physics library, which is intended for general use, this work also describes a full Monte Carlo simulation package for the SuperCDMS iZIP detectors which utilizes G4CMP at its core and also fully simulates the detector readout sensors. The document will begin with the canonical motivations for the cold dark matter hypothesis, followed by a description of the SuperCDMS experiment. It will then describe the microscopic physics inside of the SuperCDMS detectors, as well as details on their implementation in G4CMP. The full detector simulation with corresponding sensor readout will follow, along with plans for future work; including both scientific studies and improvements, as well as computational improvements and added efficiencies.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Risk-Adaptive Experimental Design for High-Consequence Systems: LDRD Final Report

Constructing accurate statistical models of critical system responses typically requires an enormous amount of data from physical experiments or numerical simulations. Unfortunately, data generation is often expensive and time consuming. To streamline the data generation process, optimal experimental design determines the 'best' allocation of experiments with respect to a criterion that measures the ability to estimate some important aspect of an assumed statistical model. While optimal design has a vast literature, few researchers have developed design paradigms targeting tail statistics, such as quantiles. In this project, we tailored and extended traditional design paradigms to target distribution tails. Our approach included (i) the development of new optimality criteria to shape the distribution of prediction variances, (ii) the development of novel risk-adapted surrogate models that provably overestimate certain statistics including the probability of exceeding a threshold, and (iii) the asymptotic analysis of regression approaches that target tail statistics such as superquantile regression. To accompany our theoretical contributions, we released implementations of our methods for surrogate modeling and design of experiments in two complementary open source software packages, the ROL/OED Toolkit and PyApprox.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Understanding Process–Structure Relationships during Lamination of Halide Perovskite Interfaces

Fabrication of halide perovskite (HP) solar cells typically involves the sequential deposition of multiple layers to create a device stack, which is limited by the thermal and chemical incompatibility of top contact layers with the underlying HP semiconductor. One emerging strategy to overcome these restrictions on material selection and processing conditions is lamination, where two half-stacks are independently processed and then diffusion bonded to complete the device. Lamination reduces the processing constraints on the top side of the solar cell to allow new device designs, expanded use of deposition methods, and self-encapsulation of devices. While laminated perovskite solar cells with high efficiencies and novel interlayer combinations have been demonstrated, there is a limited understanding of how the lamination process parameters affect the diffusion-bond quality and material properties of the resulting HP layer. In this study, we systematically vary temperature, pressure, and time during lamination and quantify the resulting impacts on bonded area, grain domain size, and photoluminescence. A design of experiments is performed, and statistical analysis of the experimental results is used to quantitatively evaluate the resulting process–structure–property relationships. The lamination temperature is found to be the key parameter controlling these properties. Furthermore, a temperature of 150 °C enables successful bonding over 95% of the substrate area and also results in increases in apparent grain domain size and photoluminescence intensity. Based on these insights, the lamination temperature of functional perovskite solar cell devices is varied, demonstrating the importance of the resulting bond quality on device performance metrics.

14 SOLAR ENERGY↗
NASA NTRS1990

Design optimization for cost and quality: The robust design approach

Designing reliable, low cost, and operable space systems has become the key to future space operations. Designing high quality space systems at low cost is an economic and technological challenge to the designer. A systematic and efficient way to meet this challenge is a new method of design optimization for performance, quality, and cost, called Robust Design. Robust Design is an approach for design optimization. It consists of: making system performance insensitive to material and subsystem variation, thus allowing the use of less costly materials and components; making designs less sensitive to the variations in the operating environment, thus improving reliability and reducing operating costs; and using a new structured development process so that engineering time is used most productively. The objective in Robust Design is to select the best combination of controllable design parameters so that the system is most robust to uncontrollable noise factors. The robust design methodology uses a mathematical tool called an orthogonal array, from design of experiments theory, to study a large number of decision variables with a significantly small number of experiments. Robust design also uses a statistical measure of performance, called a signal-to-noise ratio, from electrical control theory, to evaluate the level of performance and the effect of noise factors. The purpose is to investigate the Robust Design methodology for improving quality and cost, demonstrate its application by the use of an example, and suggest its use as an integral part of space system design process.

Unal, Resit↗
DOE OSTI2020

CheKiPEUQ Intro 2: Harnessing Uncertainties from Data Sets, Bayesian Design of Experiments in Chemical Kinetics**

When choosing experimental conditions, Bayesian statistical tools can predict the experimental choices which will yield the highest information gain. Experimental choices could be temperature, pressure, reaction time, number of measurements, reactor volume, etc.. Three example analyses are presented here, each using the software Chemical Kinetics Parameter Estimation and Uncertainty Quantification (CheKiPEUQ). Information gain is a measure of reduction of uncertainty in a model's parameters. The three chemical system examples presented each illustrate Bayesian Design of Experiments using information gain. In the first chemical example, temperature selection impacts the information gain for the free energy of reaction in a two-component equilibrium reaction. In the second example, temperature and pressure are explored for a competitive adsorption Langmuir replacement reaction system. Finally, the third example is a catalytic membrane reactor which is a culmination of the previous examples. The catalytic membrane reactor has a complex and nonlinear response in the observables which is solved by numerical evaluation. In the three examples, the experimental conditions are treated as design variables for maximizing information gain.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Tripled yield in direct-drive laser fusion through statistical modelling

Accurate predictive models are essential to the design of high-performance, laser-fusion experiments. Here, we report the development of a promising statistical approach that has been used to quantitatively predict and design several cryogenic deuterium-tritium (DT) implosions on the OMEGA Laser System, leading to the tripling of the fusion yield to its highest value for direct-drive laser fusion of DT-layered targets. When scaled to National Ignition Facility laser energies of 1.9 MJ, these targets are predicted to produce a fusion energy output of ~500 kJ—several times larger than current fusion yields achieved at that facility. Future applications of this approach will guide the exploration of the vast parameter space for the conditions required for thermonuclear ignition and expose gaps in our understanding of laser-fusion physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Design and Construction of a High-Resolution Hodoscope for the GlueX Experiment with High-Statistics Analysis of the p0, ¿, and ¿1 Photoproduction Cross Sections from the RadPhi Experiment

Differential cross sections for forward-angle photoproduction of p0, ¿, and ¿ 1 pseudoscalar mesons were measured using data from the RadPhi experiment conducted in Hall B at Jef ferson Lab. RadPhi utilized a tagged bremsstrahlung photon beam incident on a stationary 9Be target, with a detector system configured to trigger on a recoil proton in coincidence with multiple neutral showers in the calorimeter. Events were reconstructed and subjected to kinematic constraints, with background suppressed via sideband subtraction guided by Monte Carlo modeling of background contributions. Cross sections were extracted over the photon energy range 4.4– 5.4 GeV and binned in invariant momentum transfer t, providing measurements from one of the first high-statistics experiments of forward ¿ and ¿1 pro duction from a nuclear target at these energies. Acceptance corrections were applied using a detailed GEANT-based simulation of the detector geometry and response. The resulting cross sections are consistent with 2020 CLAS results, when scaled by the number of protons in beryllium, and show broad agreement with other data and theoretical models. In parallel, a high-resolution photon tagger detector, the Tagger Microscope (TAGM), was designed, constructed, and commissioned for the GlueX experiment in Hall D at Jefferson Lab. The TAGM was developed to provide high-rate tagging capability in the coherent bremsstrahlung peak by detecting post-bremsstrahlung electrons across a one GeV range along the focal plane of the tagging spectrometer. The detector consists of a 5ˆ102 array of 2ˆ2 mm2 square BCF-20 plastic scintillating fibers thermally fused to BCF-98 light guide fibers optically coupled to silicon photomultipliers. These fibers are mounted in a precision machined framework enabling fine positional adjustments to maintain precise alignment with post-bremsstrahlung electron trajectories, while ensuring mechanical rigidity, thermal stability, optical isolation, minimal inactive area, and radiation shielding for electronics. The construction effort involved extensive testing of fiber quality, light transmission, thermal fusing, radiation hardness, and defect analysis using SEM and EDX techniques. Following its installation and commissioning, the TAGM became a critical component of the GlueX beamline, enabling high-rate tagging essential for studies of hybrid mesons and gluonic ex citations.

McIntyre, James [Univ. of Connecticut, Storrs, CT ↗
NASA NTRS2000

Computational Analysis for Rocket-Based Combined-Cycle Systems During Rocket-Only Operation

A series of Reynolds-averaged Navier-Stokes calculations were employed to study the performance of rocket-based combined-cycle systems operating in an all-rocket mode. This parametric series of calculations were executed within a statistical framework, commonly known as design of experiments. The parametric design space included four geometric and two flowfield variables set at three levels each, for a total of 729 possible combinations. A D-optimal design strategy was selected. It required that only 36 separate computational fluid dynamics (CFD) solutions be performed to develop a full response surface model, which quantified the linear, bilinear, and curvilinear effects of the six experimental variables. The axisymmetric, Reynolds-averaged Navier-Stokes simulations were executed with the NPARC v3.0 code. The response used in the statistical analysis was created from Isp efficiency data integrated from the 36 CFD simulations. The influence of turbulence modeling was analyzed by using both one- and two-equation models. Careful attention was also given to quantify the influence of mesh dependence, iterative convergence, and artificial viscosity upon the resulting statistical model. Thirteen statistically significant effects were observed to have an influence on rocket-based combined-cycle nozzle performance. It was apparent that the free-expansion process, directly downstream of the rocket nozzle, can influence the Isp efficiency. Numerical schlieren images and particle traces have been used to further understand the physical phenomena behind several of the statistically significant results.

Steffen, C. J., Jr.↗
NASA NTRS1978

Statistical sampling analysis for stratospheric measurements from satellite missions

Earth orbiting satellite experiments can be designed to measure stratospheric constituents such as ozone by utilizing remote sensing techniques. Statistical analysis techniques, mission simulation and model development have been utilized to develop a method for analyzing various mission/sensor combinations. Existing and planned NASA satellite missions such as Nimbus-4 and G, and Stratospheric Aerosol and Gas Experiment-Application Explorer Mission (SAGE-AEM) have been analyzed to determine the ability of the missions to adequately sample the global field.

Drewry, J. W.↗
NASA NTRS2006

Low-Density, Creep-Resistant Single-Crystal Superalloys

Several recently formulated nickel-base superalloys have been developed with excellent high-temperature creep resistance, at lower densities than those of currently used nickel-base superalloys. These alloys are the latest products of a continuing effort to develop alloys that have even greater strength-to-weight ratios, suitable for use in turbine blades of aircraft engines. Mass densities of turbine blades exert a significant effect on the overall weight of aircraft. For a given aircraft, a reduction in the density of turbine blades enables design reductions in the weight of other parts throughout the turbine rotor, including the disk, hub, and shaft, as well as supporting structures in the engine. The resulting total reduction in weight can be 8 to 10 times that of the reduction in weight of the turbine blades. The approach followed in formulating these alloys involved several strategies for identifying key alloying elements and the range of concentration of each element to study. To minimize the number of alloys needed to be cast, a design-of--experiments methodology was adopted. A statistics-based computer program that models the effects of varying compositions of four elements, including effects of two-way interactions between elements, was used to test all possible alloys within the design space. The starting points for the computational analysis were three alloy compositions mandated by engineering consensus. After likewise identification of key alloying elements to vary and the allowed ranges of concentrations, the computer program then selects a minimum number of alloys within the design space to allow determination of effects for all four elements and their interactions.

MacKay, Rebecca A.↗
DOE OSTI2018

Bayesian Design of Experiments for Logistic Regression to Evaluate Multiple Forensic Algorithms

When evaluating the performance of several forensic classification algorithms, it is desirable to construct a design that considers a variety of performance levels for each of the algorithms. We describe a strategy to use Bayesian design of experiments with multiple prior estimates to capture anticipated performance. Our goal is to characterize results from the different classification algorithms as a function of multiple explanatory variables and use this to choose a design about which units to test. Bayesian design of experiments has been successful for generalized linear models, including logistic regression models. Here, we develop methodology for the case where there are several potentially nonoverlapping priors for anticipated performance under consideration. The weighted priors method performs well for a broad range of true underlying model parameter choices and is more robust when compared to other candidate design choices. Additionally, we show how this can be applied in the multivariate input case and provide some useful summary measures. The shared information plot is used to evaluate design point allocation, and the D-value difference plot allows for the comparison of design performance across multiple potential parameter values in higher dimensions. Here, we illustrate the methods with several examples.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Preface to special topic: The High Repetition Rate Frontier in High-Energy-Density Physics

High-repetition-rate (HRR) experiments can collect large datasets with high temporal, spatial, and/or parametric resolution or large numbers of repeat measurements for statistics. HRR experiments also enable new experimental designs, including active feedback control loops and novel diagnostics, that can improve the reproducibility as well as the quantity of measurements. Together, these attributes make HRR experiments ideal for performing high-quality repeatable science. Until recently, these techniques have not been applied to high-energy-density–physics (HEDP) experiments, which are typically restricted to repetition rates of a few per day. However, recent advancements in lasers, pulsed-power drivers, target fabrication, and diagnostics are starting to change this fact, opening an exciting new frontier of HRR HEDP experiments. A mini-conference on this subject at the 2021 meeting of the American Physical Society Division of Plasma Physics brought together members of this growing community. As a result, the “High Repetition Rate Frontier in High-Energy-Density Physics” special topic in Physics of Plasmas highlights current progress in this exciting area.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Investigation of Sb-Containing Precursors for Cu(In, Ga)Se2 Thin Films Through Design of Experiments

The Design of Experiments (DoE) module in JMP statistical software was used to determine the best parameters for Sb-containing CIGS precursors with a fixed selenization step. Solar cells were fabricated and measured for all completed films. The most important factor influencing the current-voltage device parameters was identified as the temperature and antimony flux interaction. The DoE prediction profiler and predictive contour plots provided guidance to further improve the device parameters. In one follow-up run, we increased device efficiency from 14.9% to 15.5% Additional gains in efficiency to 16.9% were realized by introducing an intentional Ga gradient and an antireflective coating.

14 SOLAR ENERGY↗
DOE OSTI2022

Pyomo.DOE: An open-source package for model-based design of experiments in Python

Predictive mathematical models are a cornerstone of science and engineering. Yet selecting, calibrating, and validating said science-based models often remains an art in practice. Model-based design of experiments (MBDoE) provides a systematic framework to maximize information gain from experiments while minimizing time and resource costs. But MBDoE remains limited to niche application areas, in part because practitioners must integrate expertise in statistics, computational optimization, and modeling. To help reduce this barrier, we introduce Pyomo.DOE, an open-source package for MBDoE. Pyomo.DOE uses a nonlinear sensitivity analysis code k_aug to quickly approximate the Fisher information matrix and leverages a new stochastic programming abstraction. We demonstrate Pyomo.DOE with the first application of MBDoE to fixed-bed breakthrough experiments, which highlights the power of Pyomo.DOE to quantify the value of experimental modifications a priori for large-scale partial differential-algebraic equation (PDAE) models. Here we also provide a mathematical primer on MBDoE targeted at general chemical engineers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Atomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY

The dynamics of globular proteins can be described in terms of transitions between a folded native state and less-populated intermediates, or excited states, which can play critical roles in both protein folding and function. Excited states are by definition transient species, and therefore are difficult to characterize using current experimental techniques. We report an atomistic model of the excited state ensemble of a stabilized mutant of an extensively studied flavodoxin fold protein CheY. We employed a hybrid simulation and experimental approach in which an aggregate 42 milliseconds of all-atom molecular dynamics were used as an informative prior for the structure of the excited state ensemble. The resulting prior was then refined against small-angle X-ray scattering (SAXS) data employing an established method (EROS). The most striking feature of the resulting excited state ensemble was an unstructured N-terminus stabilized by non-native contacts in a conformation that is topologically simpler than the native state. We then predict incisive single molecule FRET experiments, using these results, as a means of model validation. Our study demonstrates the paradigm of uniting simulation and experiment in a statistical model to study the structure of protein excited states and rationally design validating experiments.

59 BASIC BIOLOGICAL SCIENCES↗