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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Effect of likelihood misspecification in Gaussian process-driven autonomous experimentation

In recent years, several groups have designed Autonomous Experiment (AE) models with the aim of using them as an alternative method for neutron scattering scanning. In an AE, Gaussian processes (GPs) are most frequently used due to their interpretability, their non-parametric nature, their universal approximation, and their closed-form predictive distribution. GPs have two key components, namely, the model for the likelihood of a neutron count knowing the underlying dynamic structure factor and the acquisition function. In this paper, we investigate the impact, on the quality of an AE, of the likelihood and acquisition function choices, in energy scans and (Q, ω) ones, with respect to the signal-over-noise ratio. While we hypothesized that the quality of GP predictions would decrease when the normal to Poisson likelihood approximation breaks down at low count rates, we found that the use of the correct Poisson likelihood does not improve the quality of the data collected, as well as yields very poor results in (Q, ω) scans at low count rates. In fact, the best results are obtained with a combination of normal likelihood, including the observation noise, and the change in variance acquisition function. In addition, we find that the performance, or quality of the predictive distribution, is a misleading measure of efficiency, that is, of the quality of the data collected.

Perryman, David Elliott [Inst. Laue-Langevin (ILL)↗
DOE OSTI2018

Low-Dimensional Components of Flows With Large Free/Moving-Surface Motion

Flow systems with highly nonlinear free/moving surface motion are common in engineering applications, such as wave impact and fluid-structure interaction (FSI) problems. In order to reveal the dynamics of such flows, as well as provide a reduced-order modeling (ROM) for large-scale applications, we propose a proper orthogonal decomposition (POD) technique that couples the velocity flow field and the level-set function field, as well as a proper normalization for the snapshots data so that the low-dimensional components of the flow can be retrieved with a priori knowledge of equal distribution of the total variance between velocity and level-set function data. Through numerical examples of a sloshing problem and a water entry problem, we show that the low-dimensional components obtained provide an efficient and accurate approximation of the flow field. Moreover, we show that the velocity contour and orbits projected on the space of the reduced basis greatly facilitate understanding of the intrinsic dynamics of the flow systems.

Engineering↗
DOE OSTI2020

Interactions Between Microturbulence and Magnetohydrodynamic Instabilities in Magnetized Plasmas (Final Technical Report)

This document details the work accomplished during the period 04/15/2012-01/31/2020 for the collaborative project “Interactions Between Microturbulence and Magnetohydrodynamic Instabilities in Magnetized Plasmas,” and serves as the final report on the University of California, San Diego part of this collaborative project for Department of Energy Office of Science - Fusion Energy Sciences Grant No. DE- SC0007783. This project focused on the development of analytic and computational tools, seeking to better understand the mutual interactions between small-scale temperature-gradient driven microturbulence and macroscopic magnetohydrodynamic (MHD) instabilities, particularly tearing modes, in magnetically confined plasmas relevant for the generation of fusion energy. This project advanced understanding through numerical simulations of different sets of model equations, corresponding to different microturbulence instabilities. Questions addressed included how the magnitudes, spatial structures, and scaling's of turbulent forcing's and drags impact magnetic island dynamics, as well as quantifying the “region of influence” of an island on the microturbulence dynamics. A key finding of the project is that the microturbulence fluctuations and associated cross-field particle and energy fluxes exhibit spatial asymmetries for sufficiently large islands. The results have improved our fundamental understanding of plasma dynamics, motivated new experimental investigations, and will help inform future fusion predictive modeling efforts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Impacts of U.S. Carbon Tariffs on China’s Foreign Trade and Social Welfare

A recursive multisector dynamic computable general equilibrium (DCGE) model simulates the economic impacts of carbon tariffs, as proposed by the USA, ranging from $\$40/t to $\$60/t CO 2 . We examine a carbon tax and export subsidy as response policies to the U.S. carbon tariff, respectively. The dynamic model shows the possible impacts of these policies on China’s economic structure, carbon emissions, and social welfare from 2020 to 2030. Simulations show that a carbon tariff changes the structure of China’s exports and promotes trade diversion from the USA to other countries and regions. A domestic carbon tax and subsidy policy can dampen the adverse impacts of carbon tariffs on trade. A carbon tax shows an effective impact on increasing clean energy use, decreasing the carbon intensity of output, and reducing carbon emissions. A subsidy on exports to the USA reduces the adverse impact of a carbon tariff on China’s social welfare in the short term.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

HOW THE DENSITY ENVIRONMENT CHANGES THE INFLUENCE OF THE DARK MATTER–BARYON STREAMING VELOCITY ON COSMOLOGICAL STRUCTURE FORMATION

We study the dynamical effect of the relative velocity between dark matter and baryonic fluids, which remained supersonic after the epoch of recombination. The impact of this supersonic motion on the formation of cosmological structures was first formulated by Tseliakhovich and Hirata, in terms of the linear theory of small-scale fluctuations coupled to large-scale, relative velocities in mean-density regions. In their formalism, they limited the large-scale density environment to be that of the global mean density. We improve on their formulation by allowing variation in the density environment as well as the relative velocities. This leads to a new type of coupling between large-scale and small-scale modes. We find that the small-scale fluctuation grows in a biased way: faster in the overdense environment and slower in the underdense environment. We also find that the net effect on the global power spectrum of the density fluctuation is to boost its overall amplitude from the prediction by Tseliakhovich and Hirata. Correspondingly, the conditional mass function of cosmological halos and the halo bias parameter are both affected in a similar way. The discrepancy between our prediction and that of Tseliakhovich and Hirata is significant, and therefore, the related cosmology and high-redshift astrophysics should be revisited. The mathematical formalism of this study can be used for generating cosmological initial conditions of small-scale perturbations in generic, overdense (underdense) background patches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

When ancient numerical demons meet physics-informed machine learning: adjoint-based gradients for implicit differentiable modeling

Recent advances in differentiable modeling, a genre of physics-informed machine learning that trains neural networks (NNs) together with process-based equations, have shown promise in enhancing hydrological models' accuracy, interpretability, and knowledge-discovery potential. Current differentiable models are efficient for NN-based parameter regionalization, but the simple explicit numerical schemes paired with sequential calculations (operator splitting) can incur numerical errors whose impacts on models' representation power and learned parameters are not clear. Implicit schemes, however, cannot rely on automatic differentiation to calculate gradients due to potential issues of gradient vanishing and memory demand. Here we propose a “discretize-then-optimize” adjoint method to enable differentiable implicit numerical schemes for the first time for large-scale hydrological modeling. The adjoint model demonstrates comprehensively improved performance, with Kling–Gupta efficiency coefficients, peak-flow and low-flow metrics, and evapotranspiration that moderately surpass the already-competitive explicit model. Therefore, the previous sequential-calculation approach had a detrimental impact on the model's ability to represent hydrological dynamics. Furthermore, with a structural update that describes capillary rise, the adjoint model can better describe baseflow in arid regions and also produce low flows that outperform even pure machine learning methods such as long short-term memory networks. The adjoint model rectified some parameter distortions but did not alter spatial parameter distributions, demonstrating the robustness of regionalized parameterization. Despite higher computational expenses and modest improvements, the adjoint model's success removes the barrier for complex implicit schemes to enrich differentiable modeling in hydrology.

58 GEOSCIENCES↗
NASA NTRS1986

Structural analysis of the controlled impact demonstration of a jet transport airplane

An analytical method has been developed for assessing crash dynamics of large transport aircraft, such as in the NASA Controlled Impact Demonstration (CID) jet crash test on December 1, 1984. The DYCAST nonlinear finite-element computer code was used in a series of progressively more difficult tasks to model complete transport aircraft crashes. Single aircraft frames and fuselage section vertical drop tests were modeled and analyzed to obtain comparisons with experimental data and to develop hybrid element crash springs for use in the large CID model. Predictions of crash and acceleration levels from a symmetric CID model agreed well with data from the CID experiment.

Fasanella, E. L.↗
NASA NTRS1992

Attitude and articulation control of the CRAF/Cassini spacecraft in the presence of structural flexibilities and propellant slosh

Preliminary attitude and articulation controller designs for the CRAF/Cassini spacecraft have prompted a consideration of potential interactions with structural dynamics and propellant motion. The two algorithms significantly affected are attitude control during main engine burns, and articulation control of the high-precision scan platform (HPSP). For main engine burns, the primary concerns are the sloshing of the bipropellant, which constitutes 70 percent of initial spacecraft mass, and the vibration of the three large appendages, especially the HPSP, on which the gyros are mounted. For the HPSP pointing algorithm, the main concern is the fairly large offset of the HPSP center-of-mass from the gimbals, which is motivated by other system and subsystem considerations. This offset results in significant coupling between HPSP articulation and HPSP boom structural dynamics. This paper surveys the operational scenarios of these algorithms, and the impacts of nonrigid dynamics on controller design and performance.

Enright, Paul J.↗
NASA NTRS2020

An Improved Plastically Dilatant Unified Viscoplastic Constitutive Formulation for Multiscale Analysis of Polymer Matrix Composites Under High Strain Rate Loading

Polymer matrix composites are commonly used to fabricate energy-absorbing structures expected to experience impact loading. As such, a detailed understanding of the dynamic response of the constituent materials is necessary. Since the rate, temperature, and pressure dependence of carbon fiber reinforced polymer matrix composites are primarily manifestations of the rate, temperature, and pressure dependence of the polymer matrix, it is crucial that the constitutive behavior of the matrix be accurately characterized. In this work, an existing unified viscoplastic constitutive formulation is extended to ensure thermodynamic consistency and to more accurately account for the tension-compression asymmetry observed in the response of polymeric materials. A new plastic potential function is proposed, and elementary loading conditions are utilized to determine relations between model constants to ensure nonnegative plastic dissipation, a necessary thermodynamic requirement. Expressions for plastic Poisson’s ratios are derived and are bounded by enforcing nonnegative plastic dissipation. The model is calibrated against available experimental data from tests conducted over a range of strain rates, temperatures, and loading cases on a representative thermoset epoxy; good correlation between simulations and experimental data is obtained. Temperature rises due to the conversion of plastic work to heat are computed via the adiabatic heat energy equation. The viscoplastic polymer model is then used as a constitutive model in the generalized method of cells micromechanics theory to investigate the effects of matrix adiabatic heating on the high strain rate response of a unidirectional composite. The thermodynamic consistency of the model ensures plastic dissipation can only cause an increase in temperature. Simulation results indicate that significant thermal softening due to the conversion of plastic work to heat is observed in the composite for matrix dominated deformation modes.

Impact loading↗
DOE OSTI2014

Towards a unified description of the hydrogen bond network of liquid water: A dynamics based approach

The definition of a hydrogen bond (H-bond) is intimately related to the topological and dynamic properties of the hydrogen bond network within liquid water. The development of a universal H-bond definition for water is an active area of research as it would remove many ambiguities in the network properties that derive from the fixed definition employed to assign whether a water dimer is hydrogen bonded. This work investigates the impact that an electronic-structure based definition, an energetic, and a geometric definition of the H-bond has upon both topological and dynamic network behavior of simulated water. In each definition, the use of a cutoff (either geometric or energetic) to assign the presence of a H-bond leads to the formation of transiently bonded or broken dimers, which have been quantified within the simulation data. The relative concentration of transient species, and their duration, results in two of the three definitions sharing similarities in either topological or dynamic features (H-bond distribution, H-bond lifetime, etc.), however no two definitions exhibit similar behavior for both classes of network properties. In fact, two networks with similar local network topology (as indicated by similar average H-bonds) can have dramatically different global network topology (as indicated by the defect state distributions) and altered H-bond lifetimes. A dynamics based correction scheme is then used to remove artificially transient H-bonds and to repair artificially broken bonds within the network such that the corrected network exhibits the same structural and dynamic properties for two H-bond definitions (the properties of the third definition being significantly improved). The algorithm described represents a significant step forward in the development of a unified hydrogen bond network whose properties are independent of the original hydrogen bond definition that is employed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Localization of Zn 2+ ions affects the structural folding and mechanics of Nereis virens Nvjp-1

Several biological organisms utilize metal-coordination bonds to produce remarkable materials, such as the jaw of the marine worm Nereis virens, where metal-coordination bonds yield remarkable hardness without mineralization. Though the structure of a major component of the jaw, the Nvjp-1 protein, has recently been resolved, a detailed nanostructural understanding of the role of metal ions on the structural and mechanical properties of the protein is missing, especially with respect to the localization of metal ions. In this work, atomistic replica exchange molecular dynamics with explicit water and Zn 2+ ions and steered molecular dynamics simulations were used to explore how the initial localization of the Zn 2+ ions impacts the structural folding and mechanical properties of Nvjp-1. We found that the initial distribution of metal ions for Nvjp-1, and likely for other proteins with high amounts of metal-coordination, has important effects on the resulting structure, with larger metal ion quantity resulting in a more compact structure. These structural compactness trends, however, are independent from the mechanical tensile strength of the protein, which increases with greater hydrogen bond content and uniform distribution of metal ions. Our results indicate that different physical principles underlie the structure or mechanics of Nvjp-1, with broader implications in the development optimized hardened bioinspired materials and the modeling of proteins with significant metal ion content.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Structural response of α-quartz under plate-impact shock compression

Because of its far-reaching applications in geophysics and materials science, quartz has been one of the most extensively examined materials under dynamic compression. Despite 50 years of active research, questions remain concerning the structure and transformation of SiO 2 under shock compression. Continuum gas-gun studies have established that under shock loading quartz transforms through an assumed mixed-phase region to a dense high-pressure phase. While it has often been assumed that this high-pressure phase corresponds to the stishovite structure observed in static experiments, there have been no crystal structure data confirming this. In this study, we use gas-gun shock compression coupled with in situ synchrotron x-ray diffraction to interrogate the crystal structure of shock-compressed α-quartz up to 65 GPa. Our results reveal that α-quartz undergoes a phase transformation to a disordered metastable phase as opposed to crystalline stishovite or an amorphous structure, challenging long-standing assumptions about the dynamic response of this fundamental material.

58 GEOSCIENCES↗
NASA NTRS1985

A Study of the Utilization of Advanced Composites in Fuselage Structures of Commercial Aircraft

A study was conducted to define the technology and data needed to support the introduction of advanced composites in the future production of fuselage structure in large transport aircraft. Fuselage structures of six candidate airplanes were evaluated for the baseline component. The MD-100 was selected on the basis of its representation of 1990s fuselage structure, an available data base, its impact on the schedule and cost of the development program, and its availability and suitability for flight service evaluation. Acceptance criteria were defined, technology issues were identified, and a composite fuselage technology development plan, including full-scale tests, was identified. The plan was based on composite materials to be available in the mid to late 1980s. Program resources required to develop composite fuselage technology are estimated at a rough order of magnitude to be 877 man-years exclusive of the bird strike and impact dynamic test components. A conceptual composite fuselage was designed, retaining the basic MD-100 structural arrangement for doors, windows, wing, wheel wells, cockpit enclosure, major bulkheads, etc., resulting in a 32 percent weight savings.

Watts, D. J.↗
DOE OSTI2019

Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices

Precise engineering of nanoparticle superlattices (NPSLs) for energy applications requires a molecular-level understanding of the physical factors governing their morphology, periodicity, mechanics, and response to external stimuli. Such knowledge, particularly the impact of ligand dynamics on physical behavior of NPSLs, is still in its infancy. Here in this paper, we combine coarse-grained molecular dynamics simulations, and small angle X-ray scattering experiments in a diamond anvil cell to demonstrate that coverage density of capping ligands (i.e., number of ligands per unit area of a nanoparticle's surface), strongly influences the structure, elasticity, and high-pressure behavior of NPSLs using face-centered cubic PbS-NPSLs as a representative example. We demonstrate that ligand coverage density dictates (a) the extent of diffusion of ligands over NP surfaces, (b) spatial distribution of the ligands in the interstitial spaces between neighboring NPs, and (c) the fraction of ligands that interdigitate across different nanoparticles. We find that below a critical coverage density (1.8 nm-2 for 7 nm PbS NPs capped with oleic acid), NPSLs collapse to form disordered aggregates via sintering, even under ambient conditions. Above the threshold ligand coverage density, NPSLs surprisingly preserve their crystalline order even under high applied pressures (~40–55 GPa), and show a completely reversible pressure behavior. This opens the possibility of reversibly manipulating lattice spacing of NPSLs, and in turn, finely tuning their collective electronic, optical, thermo-mechanical, and magnetic properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1986

Structural dynamics research in a full-scale transport aircraft crash test

A remotely piloted air-to-ground crash test of a full-scale transport aircraft was conducted for the first time for two purposes: (1) to demonstrate performance of an antimisting fuel additive in suppressing fire in a crash environment, and (2) to obtain structural dynamics data under crash conditions for comparison with analytical predictions. The test, called the Controlled Impact Demonstration (CID), was sponsored by FAA and NASA with cooperation of industry, the Department of Defense, and the British and French governments. The test aircraft was a Boeing 720 jet transport. The aircraft impacted a dry lakebed at Edwards Air Force Base, CA. The purpose of this paper is to discuss the structural aspects of the CID. The fuselage section tests and the CID itself are described. Structural response data from these tests are presented and discussed. Nonlinear analytical modeling efforts are described, and comparisons between analytical results and experimental results are presented.

Mccomb, H. G., Jr.↗
DOE OSTI2015

Cavitation erosion prediction based on analysis of flow dynamics and impact load spectra

Cavitation erosion is the consequence of repeated collapse-induced high pressure-loads on a material surface. The present paper assesses the prediction of impact load spectra of cavitating flows, i.e., the rate and intensity distribution of collapse events based on a detailed analysis of flow dynamics. Data are obtained from a numerical simulation which employs a density-based finite volume method, taking into account the compressibility of both phases, and resolves collapse-induced pressure waves. To determine the spectrum of collapse events in the fluid domain, we detect and quantify the collapse of isolated vapor structures. As reference configuration we consider the expansion of a liquid into a radially divergent gap which exhibits unsteady sheet and cloud cavitation. Analysis of simulation data shows that global cavitation dynamics and dominant flow events are well resolved, even though the spatial resolution is too coarse to resolve individual vapor bubbles. The inviscid flow model recovers increasingly fine-scale vapor structures and collapses with increasing resolution. We demonstrate that frequency and intensity of these collapse events scale with grid resolution. Scaling laws based on two reference lengths are introduced for this purpose. We show that upon applying these laws impact load spectra recorded on experimental and numerical pressure sensors agree with each other. Furthermore, correlation between experimental pitting rates and collapse-event rates is found. Locations of high maximum wall pressures and high densities of collapse events near walls obtained numerically agree well with areas of erosion damage in the experiment. The investigation shows that impact load spectra of cavitating flows can be inferred from flow data that captures the main vapor structures and wave dynamics without the need for resolving all flow scales.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Impact compaction of a granular material

The dynamic behavior of granular materials has importance to a variety of engineering applications. Structural seismic coupling, planetary science, and earth penetration mechanics, are just a few of the application areas. Although the mechanical behavior of granular materials of various types have been studied extensively for several decades, the dynamic behavior of such materials remains poorly understood. High-quality experimental data are needed to improve our general understanding of granular material compaction physics. This study will describe how an instrumented plunger impact system can be used to measure pressure-density relationships for model materials at high and controlled strain rates and subsequently used for computational modeling.

36 MATERIALS SCIENCE↗