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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 1,117 records · Page 62

Mean Climate and Tropical Rainfall Variability in Aquaplanet Simulations Using the Model for Prediction Across Scales‐Atmosphere

Abstract Aquaplanet experiments are important tools for understanding and improving physical processes simulated by global models; yet, previous aquaplanet experiments largely differ in their representation of subseasonal tropical rainfall variability. This study presents results from aquaplanet experiments produced with the Model for Prediction Across Scales‐Atmosphere (MPAS‐A)—a community model specifically designed to study weather and climate in a common framework. The mean climate and tropical rainfall variability simulated by MPAS‐A with varying horizontal resolution were compared against results from a recent suite of aquaplanet experiments. This comparison shows that, regardless of horizontal resolution, MPAS‐A produces the expected mean climate of an aquaplanet framework with zonally symmetric but meridionally varying sea‐surface temperature. MPAS‐A, however, has a stronger signal of tropical rainfall variability driven by convectively coupled equatorial waves. Sensitivity experiments with different cumulus parameterizations, physics packages, and vertical grids consistently show the presence of those waves, especially equatorial Kelvin waves, in phase with lower‐tropospheric convergence. Other models do not capture such rainfall‐kinematics phasing. These results suggest that simulated tropical rainfall variability depends not only on the cumulus parameterization (as suggested by previous studies) but also on the coupling between physics and dynamics of climate and weather prediction models.

Rios‐Berrios, R.↗

On Convergence of Development Costs and Cost Models for Complex Spaceflight Instrument Electronics

Development costs of a few recent spaceflight instrument electrical and electronics subsystems have diverged from respective heritage cost model predictions. The cost models used are Grass Roots, Price-H and Parametric Model. These cost models originated in the military and industry around 1970 and were successfully adopted and patched by NASA on a mission-by-mission basis for years. However, the complexity of new instruments recently changed rapidly by orders of magnitude. This is most obvious in the complexity of representative spaceflight instrument electronics' data system. It is now required to perform intermediate processing of digitized data apart from conventional processing of science phenomenon signals from multiple detectors. This involves on-board instrument formatting of computational operands from row data for example, images), multi-million operations per second on large volumes of data in reconfigurable hardware (in addition to processing on a general purpose imbedded or standalone instrument flight computer), as well as making decisions for on-board system adaptation and resource reconfiguration. The instrument data system is now tasked to perform more functions, such as forming packets and instrument-level data compression of more than one data stream, which are traditionally performed by the spacecraft command and data handling system. It is furthermore required that the electronics box for new complex instruments is developed for one-digit watt power consumption, small size and that it is light-weight, and delivers super-computing capabilities. The conflict between the actual development cost of newer complex instruments and its electronics components' heritage cost model predictions seems to be irreconcilable. This conflict and an approach to its resolution are addressed in this paper by determining the complexity parameters, complexity index, and their use in enhanced cost model.

Kizhner, Semion↗

Integrated Computational Materials and Mechanical Modeling for Additive Manufacturing of Alloys with Graded Structure Used in Fossil Fuel Power Plants

Wire-arc additive manufacturing (WAAM) has demonstrated its unique capability of producing large-size alloy components with a significantly reduced fabrication time and enhanced geometry design freedom. In this project, the team has developed an ICME (Integrated Computational Materials Engineering) modeling framework, which supports the WAAM of the AUSC (Advanced Ultra-Supercritical) power plant components. The manufacturing design has been applied to Inconel 740H, steel P91, as well as the dissimilar alloy components between steel P91 and Inconel 740H. The ICME model framework is developed by considering two types of modeling. First, mechanistic modeling has been applied to control the printing quality and understand the sequence of the dissimilar printing of the wall structure. The following models have been included in the developed ICME framework: finite element thermal model, grain structure model, residual stress simulation, crystal plasticity model, CALPHAD-based precipitation kinetic model, phase stability prediction, thermal expansion predictive model, and heuristic creep model. Secondary, a physics-based machine learning model has also been developed based on the ICME model structure. The machine learning model development is based on the ICME model prediction with calibration of the experiments. In addition, the WAAM has been utilized as a high-throughput experimental tool rapidly generating a gradient of alloy composition to facilitate experimental database generation for process-structure-property relationships. Such a database directly supported the ICME-enhanced machine learning, which further assisted in intermediate composition block design between P91 and 740H. A high-throughput screening study of the oxidation resistance has been performed based on such high-throughput experimentation. Based on the computational design, several dissimilar alloy manufacturing with post-heat treatment have been performed with a comprehensive evaluation of mechanical performance, including hardness mapping, yield strength, creep resistance. In this project, the single component of P91 and 740H processed by WAAM after heat treatment designed by ICME has demonstrated higher performance in yield strength and creep resistance than the wrought materials. The P91 sample prepared by WAAM with ICME-designed heat treatment performs better than P92 in creep resistance. The designed graded alloy printing with intermediate block shows a promising performance that exceeds the traditional welding. Moreover, the current research indicates the high need for location-specific design analysis with uncertainty quantification, an important topic that deserves more dedicated research. The achievement of this project demonstrated the promising future of WAAM in structural alloy manufacturing for energy power plant development. Successful printing requires synergetic efforts made by manufacturing, mechanical, and materials sciences.

20 FOSSIL-FUELED POWER PLANTS↗

Evaluation of ceramics for stator application: Gas turbine engine report

Current ceramic materials, component fabrication processes, and reliability prediction capability for ceramic stators in an automotive gas turbine engine environment are assessed. Simulated engine duty cycle testing of stators conducted at temperatures up to 1093 C is discussed. Materials evaluated are SiC and Si3N4 fabricated from two near-net-shape processes: slip casting and injection molding. Stators for durability cycle evaluation and test specimens for material property characterization, and reliability prediction model prepared to predict stator performance in the simulated engine environment are considered. The status and description of the work performed for the reliability prediction modeling, stator fabrication, material property characterization, and ceramic stator evaluation efforts are reported.

Trela, W.↗

Status of the DOE/NASA critical gas turbine research and technology project

Activities performed in order to provide an R&T data base for utility gas turbine systems burning coal-derived fuels are described. Experiments were run to determine the corrosivity effects of trace metal contaminants (and potential fuel additives) on gas turbine materials and these results were correlated in a corrosion-life prediction model. Actual fuels were burned in a burner rig hot corrosion test to verify the model. A deposition prediction model was assembled and compared with results of actual coal-derived fuel deposition tests. Thermal barrier coatings were tested to determine their potential for protecting gas turbine hardware from the corrosive contaminants. Several coatings were identified with significantly improved spallation-resistance (and, hence, corrosion resistance).

Clark, J. S.↗

LA17-V-InverseRadTransportProblem-PD2Kb. Final Project Report

In the inverse radiation transport problem, a radiation signal emanating from an unknown object is used to reconstruct geometric and material parameters of the object , e.g., the mass of special nuclear material (SNM), the isotopic composition of the SNM (e.g., the enrichment of 235U), the thickness of shielding, etc. The inverse radiation transport problem is one of the most fundamental and important in the emergency response mission, and has been addressed in previous NA-22 and NA-42/84 investments by using derivative-free optimization methods. Our project was aimed at (i) consolidating previous work by applying polynomial chaos expansion (PCE) for reducing significantly the number of forward model simulations required by derivative-free optimization methods; (ii) developing a general-purpose framework and stand-alone software for solving the inverse radiation transport problem by applying a new “predictive modeling” methodology (predictive modeling of coupled multi-physics systems, PM_CMPS) which enables the fusing of experimental and computational information; and (iii) developing several benchmarks (for unscattered gamma rays) for demonstrating the quantification of non-Gaussian features (e.g., skewness and kurtosis, which characterize asymmetries and long tails) of response distributions by deterministically and efficiently propagating parameter uncertainties (covariances and higher-order moments, where available) using high-order sensitivities computed by the recently developed comprehensive adjoint sensitivity analysis methodology (C-ASAM). With regard to (i), application of PCE, the most significant accomplishment of this project was an implementation of PCE into INVERSE that significantly reduced computation time for the DiffeRential Evolution Adaptive Metropolis (DREAM) and Differential Evolution (DE) methods. For inverse transport problems with measurements of neutron leakage, neutron multiplication, and neutron-induced gamma-rays, the solution times for the DREAM and DE methods were reduced by factors of 30-300, reducing run times from hours to minutes while maintaining the same accuracy as the standard (non-PCE) DREAM and DE. Speedups were further improved by exploring sparse grid quadrature sets using the Toolkit for Adaptive Stochastic Modeling and Non-Intrusive ApproximatioN (Tasmanian) toolset. An initial exploration of sparse grids indicated that further speedups factors of 5-10 are obtainable. The implementation of PCE in INVERSE is not in a form that users can easily access. With regard to (ii), solving the inverse problem using a predictive modeling paradigm, the most significant accomplishment of this project were the derivation and implementation of adjoint-based second derivatives in neutron and photon transport theory. There are two codes that compute these derivatives. SENSPG computes them for uncollided gamma rays and SENSMG computes them for neutron leakage. SENSMG is open-source code available on github. Other significant accomplishments included a stand-alone code, MULTI-PRED, that implements the predictive modeling paradigm, along with a detailed manual. The code was implemented in the existing INVERSE code for inverse problems, but a head-to-head comparison of inverse methods was not achieved. We also derived and implemented the capability to compute sensitivities for multiplicity measurements into the SENSMG code, and this capability was used in a data assimilation application, but it was not used for solving inverse problems. With regard to (iii), developing benchmarks to demonstrate the importance of high-order sensitivity and uncertainty analysis, the most significant accomplishment of this project were two test problems that showed how important second-order sensitivities are.

07 ISOTOPE AND RADIATION SOURCES↗

Machine learning models inaccurately predict current and future high-latitude C balances

The high-latitude carbon (C) cycle is a key feedback to the global climate system, yet because of system complexity and data limitations, there is currently disagreement over whether the region is a source or sink of C. Recent advances in big data analytics and computing power have popularized the use of machine learning (ML) algorithms to upscale site measurements of ecosystem processes, and in some cases forecast the response of these processes to climate change. Due to data limitations, however, ML model predictions of these processes are almost never validated with independent datasets. To better understand and characterize the limitations of these methods, we develop an approach to independently evaluate ML upscaling and forecasting. We mimic data-driven upscaling and forecasting efforts by applying ML algorithms to different subsets of regional process-model simulation gridcells, and then test ML performance using the remaining gridcells. In this study, we simulate C fluxes and environmental data across Alaska using ecosys, a process-rich terrestrial ecosystem model, and then apply boosted regression tree ML algorithms to training data configurations that mirror and expand upon existing AmeriFLUX eddy-covariance data availability. We first show that a ML model trained using ecosys outputs from currently-available Alaska AmeriFLUX sites incorrectly predicts that Alaska is presently a modeled net C source. Increased spatial coverage of the training dataset improves ML predictions, halving the bias when 240 modeled sites are used instead of 15. However, even this more accurate ML model incorrectly predicts Alaska C fluxes under 21st century climate change because of changes in atmospheric CO 2 , litter inputs, and vegetation composition that have impacts on C fluxes which cannot be inferred from the training data. Our results provide key insights to future C flux upscaling efforts and expose the potential for inaccurate ML upscaling and forecasting of high-latitude C cycle dynamics.

54 ENVIRONMENTAL SCIENCES↗

Predictive Multiple Model Switching Control with the Self-Organizing Map

A predictive, multiple model control strategy is developed by extension of self-organizing map (SOM) local dynamic modeling of nonlinear autonomous systems to a control framework. Multiple SOMs collectively model the global response of a nonautonomous system to a finite set of representative prototype controls. Each SOM provides a codebook representation of the dynamics corresponding to a prototype control. Different dynamic regimes are organized into topological neighborhoods where the adjacent entries in the codebook represent the global minimization of a similarity metric. The SOM is additionally employed to identify the local dynamical regime, and consequently implements a switching scheme that selects the best available model for the applied control. SOM based linear models are used to predict the response to a larger family of control sequences which are clustered on the representative prototypes. The control sequence which corresponds to the prediction that best satisfies the requirements on the system output is applied as the external driving signal.

Motter, Mark A.↗

Special Issue on Uncertainty Quantification in Multiscale System Design and Simulation

The importance of uncertainty has been recognized in various modeling, simulation, and analysis applications, where inherent assumptions and simplifications affect the accuracy of model predictions for physical phenomena. As model predictions are now heavily relied upon for simulation-based system design, which includes new materials, vehicles, mechanical and civil structures, and even new drugs, wrong model predictions could potentially cause catastrophic consequences. Therefore, uncertainty and associated risks due to model errors should be quantified to support robust systems engineering.

42 ENGINEERING↗

Predictive multiscale modeling for Unidirectional Carbon Fiber Reinforced Polymers

This paper presents a predictive multiscale modeling scheme for Unidirectional (UD) Carbon Fiber Reinforced Polymers (CFRP). A bottom-up modeling procedure is discussed for predicting the performance of UD structures. UD material responses are computed from high fidelity Representative Volume Elements (RVEs). A data-driven Reduced Order Modeling approach compresses RVEs into Reduced Order Models so material responses can be computed in a concurrent fashion along with the structural level simulation. The approach presented in this paper is validated against experimental data and is believed to provide design guidance for future fiber reinforced polymers development.

36 MATERIALS SCIENCE↗

Spatial validation reveals poor predictive performance of large-scale ecological mapping models

Mapping aboveground forest biomass is central for assessing the global carbon balance. However, current large-scale maps show strong disparities, despite good validation statistics of their underlying models. Here, we attribute this contradiction to a flaw in the validation methods, which ignore spatial autocorrelation (SAC) in data, leading to overoptimistic assessment of model predictive power. To illustrate this issue, we reproduce the approach of large-scale mapping studies using a massive forest inventory dataset of 11.8 million trees in central Africa to train and validate a random forest model based on multispectral and environmental variables. A standard nonspatial validation method suggests that the model predicts more than half of the forest biomass variation, while spatial validation methods accounting for SAC reveal quasi-null predictive power. This study underscores how a common practice in big data mapping studies shows an apparent high predictive power, even when predictors have poor relationships with the ecological variable of interest, thus possibly leading to erroneous maps and interpretations.

biomass↗

Development of a Mechanistic Model for Predicting Sliding Vapor Bubble Growth

A new mechanistic model for predicting the growth of sliding vapor bubble in subcooled boiling flows has been developed. This model employs a physical base that the fundamental mechanisms applied to the bubble growth at a nucleation site can also be applied to the growth of sliding bubble. The heat transfer mechanisms considered are microlayer evaporation, evaporation of superheated liquid, and condensation. Modifications were made to the physical assumptions/reasoning applied to the existing growth models to reflect the intrinsic physics associated with the growth of sliding bubble. The present model has been successfully validated against a broad set of subcooled flow boiling data generated by three separate research groups using different working fluids and heater surfaces. The physical dependency of bubble growth during sliding on the relevant flow boiling parameters (i.e., mass flux, wall superheat, and subcooling level) observed in these experiments was well reproduced by the present model.

42 ENGINEERING↗

Model Verification and Validation Concepts for a Probabilistic Fracture Assessment Model to Predict Cracking of Knife Edge Seals in the Space Shuttle Main Engine High Pressure Oxidizer

Physics-based models are routinely used to predict the performance of engineered systems to make decisions such as when to retire system components, how to extend the life of an aging system, or if a new design will be safe or available. Model verification and validation (V&V) is a process to establish credibility in model predictions. Ideally, carefully controlled validation experiments will be designed and performed to validate models or submodels. In reality, time and cost constraints limit experiments and even model development. This paper describes elements of model V&V during the development and application of a probabilistic fracture assessment model to predict cracking in space shuttle main engine high-pressure oxidizer turbopump knife-edge seals. The objective of this effort was to assess the probability of initiating and growing a crack to a specified failure length in specific flight units for different usage and inspection scenarios. The probabilistic fracture assessment model developed in this investigation combined a series of submodels describing the usage, temperature history, flutter tendencies, tooth stresses and numbers of cycles, fatigue cracking, nondestructive inspection, and finally the probability of failure. The analysis accounted for unit-to-unit variations in temperature, flutter limit state, flutter stress magnitude, and fatigue life properties. The investigation focused on the calculation of relative risk rather than absolute risk between the usage scenarios. Verification predictions were first performed for three units with known usage and cracking histories to establish credibility in the model predictions. Then, numerous predictions were performed for an assortment of operating units that had flown recently or that were projected for future flights. Calculations were performed using two NASA-developed software tools: NESSUS(Registered Trademark) for the probabilistic analysis, and NASGRO(Registered Trademark) for the fracture mechanics analysis. The goal of these predictions was to provide additional information to guide decisions on the potential of reusing existing and installed units prior to the new design certification.

Pai, Shantaram S.↗

Chemical composition based machine learning model to predict defect formation in additive manufacturing

With a goal of exploiting additive manufacturing to improve the manufacturing of existing reactor materials, we developed a chemical composition-based machine learning model to predict the printability of any given alloy in laser powder bed fusion (L-PBF) using experimental data from peer-reviewed literature. We defined printability as the ability to avoid defects like cracking, balling, porosity, and lack of fusion, that are caused by thermal stresses (during solidification or liquation), molten pool disintegration into disconnected small beads or lack of heat input respectively. Our models predict the tendency of balling defect formation and porosity percentage for a given composition, under a given set of processing conditions. To predict the likelihood of balling defect, three models: a random forest classifier, a gradient boost regressor and a neural network were trained on a dataset containing both traditional alloys and high entropy alloys. The neural network model showed the highest accuracy of 92.3 % in predicting the balling defect formation. A random forest regressor, gradient boost regressor and neural network were trained and tested on a dataset of various alloys to predict porosity. The random forest regressor showed the best predictions with an R 2 score of 0.97. The models also revealed the relative importance of the input descriptors on defect-formation tendency. Of particular significance was the identification of carbon as an important element in determining the occurrence of balling and percent porosity in alloys like steel, as well as being moderately important to the percentage porosity in other alloys as well as steel. Manganese was also identified as a key descriptor for the percentage of porosity in steel and other alloys. Manganese’s low thermal conductivity and consistent presence in the dataset is the likely cause for its contribution. Carbon’s role is attributable to its relatively high specific heat and high melting temperature. In conclusion, our model serves as a swift, chemistry-based tool to design experiments and find modified compositions better suited for additive manufacturing.

36 MATERIALS SCIENCE↗

Performance and power modeling and prediction using MuMMI and 10 machine learning methods

Energy-efficient scientific applications require insight into how high performance computing system features impact the applications' power and performance. This insight can result from the development of performance and power models. Here, in this article, we use the modeling and prediction tool MuMMI (Multiple Metrics Modeling Infrastructure) and 10 machine learning methods to model and predict performance and power consumption and compare their prediction error rates. We use an algorithm-based fault-tolerant linear algebra code and a multilevel checkpointing fault-tolerant heat distribution code to conduct our modeling and prediction study on the Cray XC40 Theta and IBM BG/Q Mira at Argonne National Laboratory and the Intel Haswell cluster Shepard at Sandia National Laboratories. Our experimental results show that the prediction error rates in performance and power using MuMMI are less than 10% for most cases. By utilizing the models for runtime, node power, CPU power, and memory power, we identify the most significant performance counters for potential application optimizations, and we predict theoretical outcomes of the optimizations. Based on two collected datasets, we analyze and compare the prediction accuracy in performance and power consumption using MuMMI and 10 machine learning methods.

97 MATHEMATICS AND COMPUTING↗

Building a Wide-Area File Transfer Performance Predictor: An Empirical Study

Wide-area data transfer is central to geographically distributed scientific workflows. Faster delivery of data is important for these workflows. Predictability is equally (or even more) important. With the goal of providing a reasonably accurate estimate of data transfer time to improve resource allocation & scheduling for workflows and enable end-to-end data transfer optimization, we apply machine learning methods to develop predictive models for data transfer times over a variety of wide area networks. To build and evaluate these models, we use 201,388 transfers, involving 759 million files totaling 9 PB transferred, over 115 heavily used source-destination pairs (“edges”) between 135 unique endpoints. We evaluate the models for different retraining frequencies and different window size of history data. In the best case, the resulting models have a median prediction error of ≤21% for 50% of the edges, and ≤32% for 75% of the edges. We present a detailed analysis of these results that provides insights into the cause of some of the high errors. We envision that the performance predictor will be informative for scheduling geo-distributed workflows. The insights also suggest obvious directions for both further analysis and transfer service optimization.

Liu, Zhengchun↗

Remote sensing inputs to landscape models which predict future spatial land use patterns for hydrologic models

A tropical forest area of Northern Thailand provided a test case of the application of the approach in more natural surroundings. Remote sensing imagery subjected to proper computer analysis has been shown to be a very useful means of collecting spatial data for the science of hydrology. Remote sensing products provide direct input to hydrologic models and practical data bases for planning large and small-scale hydrologic developments. Combining the available remote sensing imagery together with available map information in the landscape model provides a basis for substantial improvements in these applications.

Miller, L. D.↗

Co-Evolving Climate Models under Uncertainty to Improve Predictive Skill

Focal Area: Predictive modeling through the use of AI techniques and AI-derived model components; the use of AI and other tools to design a prediction system comprising of a hierarchy of models Science Challenge: Advances in modeling of climate and improved observational capabilities have led to great improvements in understanding large-scale historical climate effects. It however remains a challenge to reliably predict the risk of fine-scale regional climate events on human systems even as such risks are on the rise because warmer and wetter climates are more prone to hydrometeorological extremes,

54 ENVIRONMENTAL SCIENCES↗