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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 1,207 records · Page 67

A review of propeller noise prediction methodology: 1919-1994

This report summarizes a review of the literature regarding propeller noise prediction methods. The review is divided into six sections: (1) early methods; (2) more recent methods based on earlier theory; (3) more recent methods based on the Acoustic Analogy; (4) more recent methods based on Computational Acoustics; (5) empirical methods; and (6) broadband methods. The report concludes that there are a large number of noise prediction procedures available which vary markedly in complexity. Deficiencies in accuracy of methods in many cases may be related, not to the methods themselves, but the accuracy and detail of the aerodynamic inputs used to calculate noise. The steps recommended in the report to provide accurate and easy to use prediction methods are: (1) identify reliable test data; (2) define and conduct test programs to fill gaps in the existing data base; (3) identify the most promising prediction methods; (4) evaluate promising prediction methods relative to the data base; (5) identify and correct the weaknesses in the prediction methods, including lack of user friendliness, and include features now available only in research codes; (6) confirm the accuracy of improved prediction methods to the data base; and (7) make the methods widely available and provide training in their use.

Metzger, F. Bruce↗

Analyzing degradation data with a random effects spline regression model

This study proposes using a random effects spline regression model to analyze degradation data. Spline regression avoids having to specify a parametric function for the true degradation of an item. A distribution for the spline regression coefficients captures the variation of the true degradation curves from item to item. We illustrate the proposed methodology with a real example using a Bayesian approach. The Bayesian approach allows prediction of degradation of a population over time and estimation of reliability is easy to perform.

97 MATHEMATICS AND COMPUTING↗

Coupling Microstructural Evolution Simulations to Material Property Degradation Predictions for Plasma-Facing Materials

Reliable material performance is required for plasma-facing material (PFM) candidates. Previous research has shown that plasma and neutron radiation exposure induces microstructural changes in PFMs; changes in thermal and electrical conductivities and in material hardening and embrittlement were also observed after neutron irradiation. These material property changes will negatively impact the performance of the PFMs in a fusion reactor. Despite the well-known connection between material microstructure, properties, and performance, there is a need for validated modeling capabilities connecting PFM property degradation with microstructural evolution under fusion-relevant conditions. We are developing a simulation capability to couple plasma-induced microstructural evolution to material property degradation. Our approach relies on deliberate mapping between individual simulation models and experimental characterization for validation. The open-source Multiphysics Object-Oriented Simulation Environment (MOOSE) software was used for this simulation capability development. A MOOSE phase-field model was coupled with the cluster dynamics code, Xolotl, to predict microstructural evolution. Microstructure characterization techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), and laser scanning confocal microscopy (LSCM) are used to validate these microstructural evolution simulations. Calculation of thermal and electrical conductivities with first principles simulations was performed for bulk material and for grain boundaries; these results are used within MOOSE models to calculate effective thermal and electrical conductivities as a function of grain characteristics. Thermoreflectance and four-probe techniques were employed to measure the thermal and electrical conductivities, respectively. A MOOSE crystal plasticity model was adapted to predict microstructure-sensitive deformation behavior, and X-ray diffraction (XRD) was used to collect bulk dislocation density data for validation. After individual simulation validation, these models are coupled to predict material property changes resulting from plasma exposure. We focused here on an experimental design to emphasize the separate effects of moderate thermal loads and plasma exposure using tungsten. Annealing of tungsten was performed under a protective environment for temperatures ranging from 500 C to 1500 C. The plasma exposure was completed in the Tritium Plasma Experiment at Idaho National Laboratory under a deuterium flux of 1e22 D/m^2-s. This incremental approach is employed to build confidence in the modeling capability: separate-effects tests ensure that the models capture key mechanisms from single environmental conditions before predicting PFM property degradation under combined loads. We will show our early results from coupling these simulation models to predict PFM property changes from microstructural evolution. Comparisons of the simulation results with preliminary validation data will be discussed.

36 - MATERIALS SCIENCE↗

Probabilistic Risk Assessment of CO2 Trapping Mechanisms in a Sandstone CO2-EOR Field in Northern Texas, USA

This study employs a polynomial chaos expansion (PCE) technique to develop the reduced order models (ROMs) integrated with the Monte Carlo simulations to quantify uncertainties of CO 2 storage associated with enhanced oil recovery (EOR) in a commercial-scale CO 2 -EOR field. The Morrow B sandstone at the Farnsworth Unit (FWU) EOR field in northern Texas was selected as a case study. A 3-D reservoir model, including simulation of a five-spot injection/production well pattern, was constructed based on the data from well logs and cores, and an updated seismic interpretation in the FWU. Porosity and permeability were considered as sources of uncertainty. The 1000-realization heterogeneous random fields of porosity and permeability were generated based on the variogram analysis on the core measurements of the FWU. Three model outputs of interest include the amount of CO 2 trapped by three trapping mechanisms, i.e. hydrodynamic trapping, oil dissolution trapping, and aqueous dissolution trapping. The total of 25 runs were conducted with the simulations of a 20-year CO 2 -EOR period, and a 20-year monitoring period to develop the ROMs between uncertain model input parameters (i.e., porosity and permeability in this study) and model outputs at the end of simulation for each grid cell using PCE approach. The high coefficient of determination (R 2 ) and small normalized root mean square error (NRMSE) between the simulated (using reservoir modeling) and predicted (using ROMs) CO 2 storage indicate that the ROMs are acceptable and reliable to be used for the predictions. Given the 1000 Monte Carlo samplings of the model input parameters, cumulative distribution functions (CDFs) and uncertainty bounds (10 th and 90 th percentiles) of model outputs were estimated based on ROMs. At the end of simulation, the most injected CO 2 at the FWU was stored by hydrodynamic trapping (between 121,400 and 166,860 tonnes), followed by oil dissolution trapping (between 55,303 and 76,816 tonnes), and aqueous dissolution trapping (between 1979 and 2751 tonnes).

58 GEOSCIENCES↗

Assessment of software methods for estimating protein-protein relative binding affinities

A growing number of computational tools have been developed to accurately and rapidly predict the impact of amino acid mutations on protein-protein relative binding affinities. Such tools have many applications, for example, designing new drugs and studying evolutionary mechanisms. In the search for accuracy, many of these methods employ expensive yet rigorous molecular dynamics simulations. By contrast, non-rigorous methods use less exhaustive statistical mechanics, allowing for more efficient calculations. However, it is unclear if such methods retain enough accuracy to replace rigorous methods in binding affinity calculations. This trade-off between accuracy and computational expense makes it difficult to determine the best method for a particular system or study. Here, eight non-rigorous computational methods were assessed using eight antibody-antigen and eight non-antibody-antigen complexes for their ability to accurately predict relative binding affinities (ΔΔG) for 654 single mutations. In addition to assessing accuracy, we analyzed the CPU cost and performance for each method using a variety of physico-chemical structural features. This allowed us to posit scenarios in which each method may be best utilized. Most methods performed worse when applied to antibody-antigen complexes compared to non-antibody-antigen complexes. Rosetta-based JayZ and EasyE methods classified mutations as destabilizing (ΔΔG < -0.5 kcal/mol) with high (83–98%) accuracy and a relatively low computational cost for non-antibody-antigen complexes. Some of the most accurate results for antibody-antigen systems came from combining molecular dynamics with FoldX with a correlation coefficient (r) of 0.46, but this was also the most computationally expensive method. Overall, our results suggest these methods can be used to quickly and accurately predict stabilizing versus destabilizing mutations but are less accurate at predicting actual binding affinities. This study highlights the need for continued development of reliable, accessible, and reproducible methods for predicting binding affinities in antibody-antigen proteins and provides a recipe for using current methods.

59 BASIC BIOLOGICAL SCIENCES↗

Universality between vector-like and chiral quiver gauge theories: anomalies and domain walls

We study low-energy dynamics of [SU($\textit{N}$)]$^K$ chiral quiver gauge theories in connection with $\mathcal{N}$ = 1 super Yang-Mills (SYM) theory, and quantum chromodynamics with bi-fundamental fermions (QCD(BF)). These theories can be obtained by $\mathbb Z_K$ orbifold projections of $\mathcal{N}$ = 1 SU($\textit{N K}$) SYM theory, but the perturbative planar equivalence does not extend nonperturbatively for $\textit{K}$ ≥ 3. In order to study low-energy behaviors, we analyze these systems using ’t Hooft anomaly matching and reliable semiclassics on $\mathbb R^3 × S^1$. Thanks to ’t Hooft anomaly that involves 1-form center symmetry and discrete chiral symmetry, we predict that chiral symmetry must be spontaneously broken in the confinement phase, and there exist $\textit{N}$ vacua. Theories with even $\textit{K}$ possess a physical θ angle despite the presence of massless fermions, and we further predict the $\textit{N}$-branch structure associated with it; the number of vacua is enhanced to 2$\textit{N}$ at θ = π due to spontaneous $\textit{C P}$ breaking. Both of these predictions are explicitly confirmed by reliable semiclassics on $\mathbb R^3 × S^1$ with the double-trace deformation. Symmetry and anomaly of odd-$\textit{K}$ theories are the same as those of the $\mathcal{N}$ = 1 SYM, and the ones of even-$\textit{K}$ theories are same as those of QCD(BF). We unveil why there exists universality between vector-like and chiral quiver theories, and conjecture that their ground states can be continuously deformed without quantum phase transitions. We briefly discuss anomaly inflow on the domain walls connecting the vacua of the theory and possible anomaly matching scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Particle Filter Based Inference Testing

The primary intent of PAR-FIT (Particle Filter based Inference Testing) is to provide hard inductive evidence that a machine learning model is capable and proven for an individual test input. By examining training data used to form the underlying model functional correlation, an estimate of the reliability that a model will make the correct prediction can be made. The Sequential Probability Ratio Test is used to derive a qualitative evaluation for reliability based on hypothesis testing. The PAR-FIT framework achieves this by implementing a particle filter and the sequential probability ratio test algorithms on the machine learning model training data to determine relevancy of new individual test samples to the training dataset. The kernel function evaluates the local proximity and density of training data used to derive a prediction outcome. Particles are used to probabilistically determine which training data to evaluate for proximity. For test samples that are within a close proximity to and surrounded by multiple training data points, the evaluated reliability of the prediction is high. For test samples that are anomalies not represented by the training dataset, in low density data clusters, or are far from existing data points, the evaluated reliability is low as insufficient training evidence exists to suggest the model is capable of making the correct prediction. Sequential Probability Ratio Test is further used to determine when a hypothesis on whether a signal can be rejected or accepted for use. The ratio test collects sequence information from the particle filter to test whether the signal is anomalous or normal via hypothesis testing of the underlying distributions.

Chen, Edward [Idaho National Laboratory (INL), Ida↗

Advanced Computational Modeling Approaches for Shock Response Prediction

Motivation: (1) The activation of pyroshock devices such as explosives, separation nuts, pin-pullers, etc. produces high frequency transient structural response, typically from few tens of Hz to several hundreds of kHz. (2) Lack of reliable analytical tools makes the prediction of appropriate design and qualification test levels a challenge. (3) In the past few decades, several attempts have been made to develop methodologies that predict the structural responses to shock environments. (4) Currently, there is no validated approach that is viable to predict shock environments overt the full frequency range (i.e., ~100 Hz to 10 kHz). Scope: (1) Model, analyze, and interpret space structural systems with complex interfaces and discontinuities, subjected to shock loads. (2) Assess the viability of a suite of numerical tools to simulate transient, non-linear solid mechanics and structural dynamics problems, such as shock wave propagation.

Derkevorkian, Armen↗

Slow Crack Growth and Fatigue Life Prediction of Ceramic Components Subjected to Variable Load History

Present capabilities of the NASA CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code include probabilistic life prediction of ceramic components subjected to fast fracture, slow crack growth (stress corrosion), and cyclic fatigue failure modes. Currently, this code has the capability to compute the time-dependent reliability of ceramic structures subjected to simple time-dependent loading. For example, in slow crack growth (SCG) type failure conditions CARES/Life can handle the cases of sustained and linearly increasing time-dependent loads, while for cyclic fatigue applications various types of repetitive constant amplitude loads can be accounted for. In real applications applied loads are rarely that simple, but rather vary with time in more complex ways such as, for example, engine start up, shut down, and dynamic and vibrational loads. In addition, when a given component is subjected to transient environmental and or thermal conditions, the material properties also vary with time. The objective of this paper is to demonstrate a methodology capable of predicting the time-dependent reliability of components subjected to transient thermomechanical loads that takes into account the change in material response with time. In this paper, the dominant delayed failure mechanism is assumed to be SCG. This capability has been added to the NASA CARES/Life (Ceramic Analysis and Reliability Evaluation of Structures/Life) code, which has also been modified to have the ability of interfacing with commercially available FEA codes executed for transient load histories. An example involving a ceramic exhaust valve subjected to combustion cycle loads is presented to demonstrate the viability of this methodology and the CARES/Life program.

Jadaan, Osama↗

Uncertainty quantification in multivariable regression for material property prediction with Bayesian neural networks

With the increased use of data-driven approaches and machine learning-based methods in material science, the importance of reliable uncertainty quantification (UQ) of the predicted variables for informed decision-making cannot be overstated. UQ in material property prediction poses unique challenges, including multi-scale and multi-physics nature of materials, intricate interactions between numerous factors, limited availability of large curated datasets, etc. In this work, we introduce a physics-informed Bayesian Neural Networks (BNNs) approach for UQ, which integrates knowledge from governing laws in materials to guide the models toward physically consistent predictions. To evaluate the approach, we present case studies for predicting the creep rupture life of steel alloys. Experimental validation with three datasets of creep tests demonstrates that this method produces point predictions and uncertainty estimations that are competitive or exceed the performance of conventional UQ methods such as Gaussian Process Regression. Additionally, we evaluate the suitability of employing UQ in an active learning scenario and report competitive performance. The most promising framework for creep life prediction is BNNs based on Markov Chain Monte Carlo approximation of the posterior distribution of network parameters, as it provided more reliable results in comparison to BNNs based on variational inference approximation or related NNs with probabilistic outputs.

36 MATERIALS SCIENCE↗

Reliability Assessment of Graphite Specimens under Multiaxial Stresses

An investigation was conducted to predict the failure strength response of IG-100 nuclear grade graphite exposed to multiaxial stresses. As part of this effort, a review of failure criteria accounting for the stochastic strength response is provided. The experimental work was performed in the early 1990s at the Oak Ridge National Laboratory (ORNL) on hollow graphite tubes under the action of axial tensile loading and internal pressurization. As part of the investigation, finite-element analysis (FEA) was performed and compared with results of FEA from the original ORNL report. The new analysis generally compared well with the original analysis, although some discrepancies in the location of peak stresses was noted. The Ceramics Analysis and Reliability Evaluation of Structures Life prediction code (CARES/Life) was used with the FEA results to predict the quadrants I (tensile-tensile) and quadrant IV (compression-tension) strength response of the graphite tubes for the principle of independent action (PIA), the Weibull normal stress averaging (NSA), and the Batdorf multiaxial failure theories. The CARES/Life reliability analysis showed that all three failure theories gave similar results in quadrant I but that in quadrant IV, the PIA and Weibull normal stress-averaging theories were not conservative, whereas the Batdorf theory was able to correlate well with experimental results. The conclusion of the study was that the Batdorf theory should generally be used to predict the reliability response of graphite and brittle materials in multiaxial loading situations.

Sookdeo, Steven↗

Develop a weather-aware climate model to understand and predict extremes and associated power outages and renewable energy shortages with uncertainty-aware and physics-informed machine learning

Focal Area(s): The focus area is predictive modeling through the use of AI techniques and AI-derived model components with a particular emphasis on extreme weather in Atmospheric Science and power outages and shortages in Energy Science. Science Challenge: Predicting weather extremes (e.g., heavy precipitation, strong wind, and large hailstones), and weather-related power system outages and shortages can mitigate economic losses, save lives, support renewables integration, and improve power system resiliency. However, currently, the poor reliability and large uncertainty associated with the weather extreme prediction in the current climate models make the problem intractable. The key challenges are: (1) physical factors like green-house gases (GHGs), aerosols, and land use and land cover (LULC) can significantly impact extreme storms, but the understanding of these impacts is limited, particularly globally; (2) the convective permitting resolutions needed to model severe convective storms and their impacts are computationally prohibitive with global climate models (GCMs); (3) interactions between weather extremes and power system outages are complex and subject to great uncertainty. Current outage prediction models are short lead (~ 3 days), which do not allow for long-time planning of energy production and distribution. Moreover, we have limited capacity to predict weather events leading to sustained shortages in a renewable-energy-dominated power system. These challenges drive motivation for mechanistic understanding and reliable and efficient predictive modeling of extremes and their impacts from the sub-seasonal to long term projections.

54 ENVIRONMENTAL SCIENCES↗

Development of Physics-Based Transition Models for Unstructured-Mesh CFD Codes Using Deep Learning Models

Predicting transition locations over a vehicle surface is of fundamental importance for many engineering applications. With the transition information, the Reynolds-averaged Navier-Stokes (RANS) computations can turn on the turbulence model at the right locations so that drag, lift and other aerodynamic quantities can be accurately predicted. In contrast to the popularity of RANS-based transition modeling in which transition onset is governed by the turbulence equations, physics-based transition models that account for instability waves within the boundary layer, thus more compliant to flow physics, only gained more attention in recent years. This paper describes the development of a new physics-based transition model based on either the linear stability theory (LST) or parabolized stability equations (PSE). The model is designed to communicate with a structured or unstructured-mesh RANS solver back and forth in order to more accurately compute transition fronts over a three-dimensional body. In the developed model, the Python suite of interface codes in conjunction with the LASTRAC software can be executed autonomously to produce transition onset locations for a given laminar or RANS-computed transitional state. In addition, as a proof of concept, the tool set consists of a deep learning neural network model that has been designed and trained to predict instability wave evolutions inside the boundary layer for various instability wave mechanisms across a selected speed range. A machine-learned intelligent profile interpolation model has also been devised to enable reliable instability-wave spectra predictions with just a few points in the mean flow profiles.

Transition Modeling↗

PISCES: A Tool for Predicting Software Testability

Before a program can fail, a software fault must be executed, that execution must alter the data state, and the incorrect data state must propagate to a state that results directly in an incorrect output. This paper describes a tool called PISCES (developed by Reliable Software Technologies Corporation) for predicting the probability that faults in a particular program location will accomplish all three of these steps causing program failure. PISCES is a tool that is used during software verification and validation to predict a program's testability.

Voas, Jeffrey M.↗

Quantitative nondestructive evaluation: Requirements for tomorrow's reliability

Quantitative Nondestructive Evaluation (QNDE) is the technology of measurement, analysis, and prediction of the state of material/structural systems for safety, reliability, and mission assurance. QNDE has impact on everyday life from the cars we drive, the planes we fly, the buildings we work or live in, literally to the infrastructure of our world. Here, researchers highlight some of the new sciences and technologies that are part of a safer, cost effective tomorrow. Specific technologies that are discussed are thermal QNDE of aircraft structural integrity, ultrasonic QNDE for materials characterization, and technology spinoffs from aerospace to the medical sector. In each case, examples are given of how new requirements result in enabling measurement technologies, which in turn change the boundaries of design/practice.

Heyman, Joseph S.↗

Comparison of theory with experiment in convectionless growth of crystals from solution

Wilcox's computer program for predicting the growth rates of crystals in convectionless supersaturated solution is used to model experiments to measure the crystal growth experiments of Simon (1978) and of Nerad and Shlichta (1984), and the results are compared with the experimental data. The predictions of Wilcox's model are found to be in remarkably good agreement with the results of Simon. The data of Nerad and Shlichta are 30 to 90 percent higher than the predictions of the Wilcox model for a certain range of temperature dependence, consistent with the observation of occasional low-level convection in these experiments. These comparisons indicate that the Wilcox model can be used to make reliable order-of-magnitude predictions of growth rates in the absence of convection.

Schlom, D. G.↗