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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 19 records

LSTM-Based Data Integration to Improve Snow Water Equivalent Prediction and Diagnose Error Sources

Accurate prediction of snow water equivalent (SWE) can be valuable for water resource managers. Recently, deep learning methods such as long short-term memory (LSTM) have exhibited high accuracy in simulating hydrologic variables and can integrate lagged observations to improve prediction, but their benefits were not clear for SWE simulations. Here we tested an LSTM network with data integration (DI) for SWE in the western United States to integrate 30-day-lagged or 7-day-lagged observations of either SWE or satellite-observed snow cover fraction (SCF) to improve future predictions. SCF proved beneficial only for shallow-snow sites during snowmelt, while lagged SWE integration significantly improved prediction accuracy for both shallow- and deep-snow sites. The median Nash–Sutcliffe model efficiency coefficient (NSE) in temporal testing improved from 0.92 to 0.97 with 30-day-lagged SWE integration, and root-mean-square error (RMSE) and the difference between estimated and observed peak SWE values d max were reduced by 41% and 57%, respectively. DI effectively mitigated accumulated model and forcing errors that would otherwise be persistent. Moreover, by applying DI to different observations (30-day-lagged, 7-day-lagged), we revealed the spatial distribution of errors with different persistent lengths. For example, integrating 30-day-lagged SWE was ineffective for ephemeral snow sites in the southwestern United States, but significantly reduced monthly-scale biases for regions with stable seasonal snowpack such as high-elevation sites in California. These biases are likely attributable to large interannual variability in snowfall or site-specific snow redistribution patterns that can accumulate to impactful levels over time for nonephemeral sites. These results set up benchmark levels and provide guidance for future model improvement strategies.

54 ENVIRONMENTAL SCIENCES↗

Active Control of Fan Noise: Feasibility Study: Theoretical Analysis for Coupling of Active Noise Control Actuator Ring Sources to an Annular Duct with Flow - Volume 6

The objective of this effort is to develop an analytical model for the coupling of active noise control (ANC) piston-type actuators that are mounted flush to the inner and outer walls of an annular duct to the modes in the duct generated by the actuator motion. The analysis will be used to couple the ANC actuators to the modal analysis propagation computer program for the annular duct, to predict the effects of active suppression of fan-generated engine noise sources. This combined program will then be available to assist in the design or evaluation of ANC systems in fan engine annular exhaust ducts. An analysis has been developed to predict the modes generated in an annular duct due to the coupling of flush-mounted ring actuators on the inner and outer walls of the duct. The analysis has been combined with a previous analysis for the coupling of modes to a cylindrical duct in a FORTRAN computer program to perform the computations. The method includes the effects of uniform mean flow in the duct. The program can be used for design or evaluation purposes for active noise control hardware for turbofan engines. Predictions for some sample cases modeled after the geometry of the NASA Lewis ANC Fan indicate very efficient coupling in both the inlet and exhaust ducts for the m = 6 spinning mode at frequencies where only a single radial mode is cut-on. Radial mode content in higher order cut-off modes at the source plane and the required actuator displacement amplitude to achieve 110 dB SPL levels in the desired mode were predicted. Equivalent cases with and without flow were examined for the cylindrical and annular geometry, and little difference was found for a duct flow Mach number of 0.1. The actuator ring coupling program will be adapted as a subroutine to the cylindrical duct modal analysis and the exhaust duct modal analysis. This will allow the fan source to be defined in terms of characteristic modes at the fan source plane and predict the propagation to the arbitrarily-located ANC source plane. The actuator velocities can then be determined to generate the anti-phase mode. The resulting combined fan source/ANC pressure can then be calculated at any desired wall sensor position. The actuator velocities can be determined manually or using a simulation of a control system feedback loop. This will provide a very useful ANC system design and evaluation tool.

Kraft, R. E.↗

Discovering causal structure with reproducing-kernel Hilbert space ε -machines

We merge computational mechanics’ definition of causal states (predictively equivalent histories) with reproducing-kernel Hilbert space (RKHS) representation inference. The result is a widely applicable method that infers causal structure directly from observations of a system’s behaviors whether they are over discrete or continuous events or time. A structural representation—a finite- or infinite-state kernel ϵ-machine—is extracted by a reduced-dimension transform that gives an efficient representation of causal states and their topology. In this way, the system dynamics are represented by a stochastic (ordinary or partial) differential equation that acts on causal states. We introduce an algorithm to estimate the associated evolution operator. Paralleling the Fokker–Planck equation, it efficiently evolves causal-state distributions and makes predictions in the original data space via an RKHS functional mapping. We demonstrate these techniques, together with their predictive abilities, on discrete-time, discrete-value infinite Markov-order processes generated by finite-state hidden Markov models with (i) finite or (ii) uncountably infinite causal states and (iii) continuous-time, continuous-value processes generated by thermally driven chaotic flows. The method robustly estimates causal structure in the presence of varying external and measurement noise levels and for very high-dimensional data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Unsupervised discovery of extreme weather events using universal representations of emergent organization

Spontaneous self-organization is ubiquitous in systems far from thermodynamic equilibrium. While organized structures that emerge dominate transport properties, universal representations that identify and describe these key objects remain elusive. Here, we introduce a theoretically grounded framework for describing emergent organization that, via data-driven algorithms, is constructive in practice. Its building blocks are spacetime lightcones that embody how information propagates across a system through local interactions. We show that predictive equivalence classes of lightcones—local causal states—capture organized behaviors in complex spatiotemporal systems. Employing an unsupervised physics-informed machine learning algorithm and a high-performance computing implementation, we demonstrate automatically discovering organized structures in two real-world domain science problems. We show that local causal states identify vortices and track their power-law decay behavior in two-dimensional fluid turbulence. We then show how to detect and track familiar extreme weather events—hurricanes and atmospheric rivers—and discover other novel structures associated with precipitation extremes in high-resolution climate data at the grid-cell level.

Rupe, Adam [Pacific Northwest National Laboratory ↗

Particle interspacing effects on the mechanical behavior of a Fe–TiB 2 metal matrix composite using FFT-based mesoscopic field dislocation mechanics

This paper presents an application to metal matrix composites (MMCs) of an enhanced elasto-viscoplastic Fast Fourier Transform (EVP-FFT) formulation coupled with a phenomenological continuum Mesoscale Field Dislocation Mechanics (MFDM) theory. Contrary to conventional crystal plasticity, which only accounts for plastic flow and hardening induced by statistically stored dislocations (SSDs), MFDM-EVP-FFT also describes the evolution of polarized geometrically necessary dislocation (GND) density and its effect on both plastic flow and hardening. Numerical results for a Fe–TiB 2 MMC made of a ferrite matrix (α-Fe) and elastic ceramic particles (TiB 2 ) are presented. Full-field simulations are performed using synthetic periodic unit cells representative of the MMC, with single-crystalline and polycrystalline matrix, for different particle interspacing distances. A strong dependence of the predicted equivalent stress, cumulated plastic strain and GND density fields with particle interspacing distance is observed, in contrast with conventional crystal plasticity. Correlations between these mechanical fields and microstructural features, and their influence on local and global mechanical behavior are examined for the different MMC microstructures.

42 ENGINEERING↗

Investigation of empirical damping laws for the space shuttle

An analysis of dynamic test data from vibration testing of a number of aerospace vehicles was made to develop an empirical structural damping law. A systematic attempt was made to fit dissipated energy/cycle to combinations of all dynamic variables. The best-fit laws for bending, torsion, and longitudinal motion are given, with error bounds. A discussion and estimate are made of error sources. Programs are developed for predicting equivalent linear structural damping coefficients and finding the response of nonlinearly damped structures.

Bernstein, E. L.↗

Ultraviolet absorption studies of H2O and other species in comet comae with satellite telescope-spectrometers

It is noted that ultraviolet absorption by H2O and other species in the comae of comets could be detected by studying, with satellite telescope-spectrometers, the occultation of hot stars by comets. Observations of this type could produce the first detection of H2O, the fundamental parent molecule in comet comae, and give measures of molecular level populations. The capabilities of the High Resolution Spectrograph on Space Telescope, the first instrument suitable for such observations, are discussed. A Haser model is used to estimate the molecular column densities and to predict equivalent widths for lines of H2O, OH, CO, C, and O as functions of time and angular distance from a comet with a high H2O production rate. The minimum detectable equivalent widths are determined, thereby giving the maximum angular separation from such a comet at which H2O, OH, and CO could be studied. Estimated equivalent widths for CO, OH, and the resonance lines of C and O suggest that these species may also be detected.

Smith, P. L.↗

Statistical summaries of fatigue data for design purposes

Two methods are discussed for constructing a design curve on the safe side of fatigue data. Both the tolerance interval and equivalent prediction interval (EPI) concepts provide such a curve while accounting for both the distribution of the estimators in small samples and the data scatter. The EPI is also useful as a mechanism for providing necessary statistics on S-N data for a full reliability analysis which includes uncertainty in all fatigue design factors. Examples of statistical analyses of the general strain life relationship are presented. The tolerance limit and EPI techniques for defining a design curve are demonstrated. Examples usng WASPALOY B and RQC-100 data demonstrate that a reliability model could be constructed by considering the fatigue strength and fatigue ductility coefficients as two independent random variables. A technique given for establishing the fatigue strength for high cycle lives relies on an extrapolation technique and also accounts for "runners." A reliability model or design value can be specified.

Wirsching, P. H.↗

The SSME HPFTP interstage seals: Analysis and experiments for leakage and reaction-force coefficients

An improved theory for the prediction of the rotordynamic coefficients of turbulent annular seals was developed. Predictions from the theory are compared to the experimental results and an approach for the direct calculation of empirical turbulent coefficients from test data are introduced. An improved short seal solution is shown to do a better job of calculating effective stiffness and damping coefficients than either the original short seal solution or a finite length solution. However, the original short seal solution does a much better job of predicting equivalent added mass coefficient.

Childs, D. W.↗

Relating Cohesive Zone Model to Linear Elastic Fracture Mechanics

The conditions required for a cohesive zone model (CZM) to predict a failure load of a cracked structure similar to that obtained by a linear elastic fracture mechanics (LEFM) analysis are investigated in this paper. This study clarifies why many different phenomenological cohesive laws can produce similar fracture predictions. Analytical results for five cohesive zone models are obtained, using five different cohesive laws that have the same cohesive work rate (CWR-area under the traction-separation curve) but different maximum tractions. The effect of the maximum traction on the predicted cohesive zone length and the remote applied load at fracture is presented. Similar to the small scale yielding condition for an LEFM analysis to be valid. the cohesive zone length also needs to be much smaller than the crack length. This is a necessary condition for a CZM to obtain a fracture prediction equivalent to an LEFM result.

Wang, John T.↗

Comparison of Machine Learning Approaches for Prediction of the Equivalent Alkane Carbon Number for Microemulsions Based on Molecular Properties

The chemical properties of oils are vital in the design of microemulsion systems. The hydrophilic–lipophilic difference equation used to predict microemulsions’ phase behavior expresses the oils’ physiochemical properties as the equivalent alkane carbon number (EACN). The experimental determination of EACN requires knowledge of the temperature dependence of the microemulsion system and the effects of different surfactant concentrations. Thus, the experimental determination is time-intensive and tedious, requiring days to months for proper separations. Furthermore, the experiments require high purity of chemicals because microemulsions are sensitive to impurities. Our work focuses on the quick and reliable predictions of the EACN with machine learning (ML) models. Due to the immaturity of ML chemical predictions, we compare three graph neural networks (GNNs) and a gradient-boosted tree algorithm, known as XGBoost. The GNNs use the molecular structures represented as simplified molecular-input line-entry system (SMILES) codes for the initial input, which allows us to assess whether geometry optimization is necessary for reliable results. The XGBoost model also begins with the SMILES representations of the molecules but uses molecular descriptors instead of geometry optimizations. As a result, the best model tested (crystal graph convolutional neural network with Merck molecular force field-94) has an error of 1.15 EACN units of the true EACN for unknown data with the errors skewed toward zero and an R² score of 0.9

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using CTX Image Features to Predict HiRISE-Equivalent Rock Density

Methods have been developed to quantitatively assess rock hazards at candidate landing sites with the aid of images from the HiRISE camera onboard NASA s Mars Reconnaissance Orbiter. HiRISE is able to resolve rocks as small as 1-m in diameter. Some sites of interest do not have adequate coverage with the highest resolution sensors and there is a need to infer relevant information (like site safety or underlying geomorphology). The proposed approach would make it possible to obtain rock density estimates at a level close to or equal to those obtained from high-resolution sensors where individual rocks are discernable.

Serrano, Navid↗

Algebraic Theory of Patterns as Generalized Symmetries

We generalize the exact predictive regularity of symmetry groups to give an algebraic theory of patterns, building from a core principle of future equivalence. For topological patterns in fully-discrete one-dimensional systems, future equivalence uniquely specifies a minimal semiautomaton. We demonstrate how the latter and its semigroup algebra generalizes translation symmetry to partial and hidden symmetries. This generalization is not as straightforward as previously considered. Here, though, we clarify the underlying challenges. A stochastic form of future equivalence, known as predictive equivalence, captures distinct statistical patterns supported on topological patterns. Finally, we show how local versions of future equivalence can be used to capture patterns in spacetime. As common when moving to higher dimensions, there is not a unique local approach, and we detail two local representations that capture different aspects of spacetime patterns. A previously developed local spacetime variant of future equivalence captures patterns as generalized symmetries in higher dimensions, but we show that this representation is not a faithful generator of its spacetime patterns. This motivates us to introduce a local representation that is a faithful generator, but we demonstrate that it no longer captures generalized spacetime symmetries. Taken altogether, building on future equivalence, the theory defines and quantifies patterns present in a wide range of classical field theories.

97 MATHEMATICS AND COMPUTING↗

ICAN/PART: Particulate composite analyzer, user's manual and verification studies

A methodology for predicting the equivalent properties and constituent microstresses for particulate matrix composites, based on the micromechanics approach, is developed. These equations are integrated into a computer code developed to predict the equivalent properties and microstresses of fiber reinforced polymer matrix composites to form a new computer code, ICAN/PART. Details of the flowchart, input and output for ICAN/PART are described, along with examples of the input and output. Only the differences between ICAN/PART and the original ICAN code are described in detail, and the user is assumed to be familiar with the structure and usage of the original ICAN code. Detailed verification studies, utilizing dim dimensional finite element and boundary element analyses, are conducted in order to verify that the micromechanics methodology accurately models the mechanics of particulate matrix composites. ne equivalent properties computed by ICAN/PART fall within bounds established by the finite element and boundary element results. Furthermore, constituent microstresses computed by ICAN/PART agree in average sense with results computed using the finite element method. The verification studies indicate that the micromechanics programmed into ICAN/PART do indeed accurately model the mechanics of particulate matrix composites.

Goldberg, Robert K.↗

A New Stochastic Equivalent Linearization Implementation for Prediction of Geometrically Nonlinear Vibrations

In this paper, the problem of random vibration of geometrically nonlinear MDOF structures is considered. The solutions obtained by application of two different versions of a stochastic linearization method are compared with exact (F-P-K) solutions. The formulation of a relatively new version of the stochastic linearization method (energy-based version) is generalized to the MDOF system case. Also, a new method for determination of nonlinear sti ness coefficients for MDOF structures is demonstrated. This method in combination with the equivalent linearization technique is implemented in a new computer program. Results in terms of root-mean-square (RMS) displacements obtained by using the new program and an existing in-house code are compared for two examples of beam-like structures.

Muravyov, Alexander A.↗

On the Use of Equivalent Linearization for High-Cycle Fatigue Analysis of Geometrically Nonlinear Structures

The use of stress predictions from equivalent linearization analyses in the computation of high-cycle fatigue life is examined. Stresses so obtained differ in behavior from the fully nonlinear analysis in both spectral shape and amplitude. Consequently, fatigue life predictions made using this data will be affected. Comparisons of fatigue life predictions based upon the stress response obtained from equivalent linear and numerical simulation analyses are made to determine the range over which the equivalent linear analysis is applicable.

Rizzi, Stephen A.↗

Data-Driven Exploration of Climate Attractor Manifolds For Long-Term Predictability

Focal Area: This white paper responds to Focal Area 3. We seek to gain insight into decadal-scale climate predictability by applying novel manifold-finding probabilistic AI techniques to the complex data produced by Earth System models (ESMs) such as E3SM. The associated portfolio of research activities leverages DOE’s asset mix of HPC platforms, climate expertise, climate simulation codes, and AI expertise. Science Challenge: Climate and climate models are dynamical systems exhibiting properties that are interpretable through chaos theory. The theory contains an important concept that is relevant to multi-decade-scale climate prediction: a chaotic attractor. While the space containing all the possible states of the Earth’s atmosphere and ocean, the possible weather, is large, the realized states tend to stay near the smaller-dimensioned attractor. This behavior is responsible for the “order behind the irregularity” [1] of climate phenomena. Climate change can be thought of as a change in the properties of the attractor, and predicting the climate over years to decades is equivalent to predicting how those properties will change. To date, the attractor has been a useful conceptual tool, but has not been amenable to direct characterization. A new development is the advent of efficient high-dimensional manifold-finding probabilistic AI techniques, which permit a data-driven characterization of the ESM attractor and its probability distribution over weather states. Such a characterization would result in a natural dimensional reduction — a “non-linear Principal Components Analysis (PCA) adapted to climate simulation data” — leading to important advances in scenario-based long-term climate prediction, long-term prediction of water cycle extremes, ESM verification, inter-model comparison, and process model development.

54 ENVIRONMENTAL SCIENCES↗