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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 1,747 records · Page 97

Machine learning surrogate of physics-based building-stock simulator for end-use load forecasting

Building energy models are used to simulate heat and mass transfer and estimate end-use load in buildings. With the proliferation of solar photovoltaics on residential and commercial buildings, increasingly, buildings are expected to provide grid services, for which accurate and computationally efficient building energy simulations and end-use load prediction are imperative. Existing building energy simulation tools, however, have significant computational overhead that make them less practical in real-time deployment for optimization, design, uncertainty quantification and control in building energy management systems. Here this article presents a data-driven machine learning model based on light gradient boosting method (LightGBM) as a surrogate for a physics-based simulator for residential buildings to predict end-use load. The machine learning based surrogate model accounts for time-series related variables, seasonality and trend component of end-use load, and history of end-use load. The accuracy of the surrogate model is assessed on the prediction of the load profiles of 100 different houses in Cook County, Illinois, USA. The LightGBM surrogate model is shown to reduce the root-mean-squared error by 53% relative to a reference decision tree (DT) based model reported previously in the literature. Moreover, the model predicts the load spikes and high-ramp rate events throughout the year which are often the Achilles heel of other models in the literature. The machine learning based surrogate model is demonstrated to be computationally efficient, with a ten-fold reduction in the computational time compared to a physics-based building energy simulation, and suitable for uncertainty analysis and real-time control of building characteristics in response to uncertainty.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Interactive visualization of Earth and Space Science computations

Computers have become essential tools for scientists simulating and observing nature. Simulations are formulated as mathematical models but are implemented as computer algorithms to simulate complex events. Observations are also analyzed and understood in terms of mathematical models, but the number of these observations usually dictates that we automate analyses with computer algorithms. In spite of their essential role, computers are also barriers to scientific understanding. Unlike hand calculations, automated computations are invisible and, because of the enormous numbers of individual operations in automated computations, the relation between an algorithm's input and output is often not intuitive. This problem is illustrated by the behavior of meteorologists responsible for forecasting weather. Even in this age of computers, many meteorologists manually plot weather observations on maps, then draw isolines of temperature, pressure, and other fields by hand (special pads of maps are printed for just this purpose). Similarly, radiologists use computers to collect medical data but are notoriously reluctant to apply image-processing algorithms to that data. To these scientists with life-and-death responsibilities, computer algorithms are black boxes that increase rather than reduce risk. The barrier between scientists and their computations can be bridged by techniques that make the internal workings of algorithms visible and that allow scientists to experiment with their computations. Here we describe two interactive systems developed at the University of Wisconsin-Madison Space Science and Engineering Center (SSEC) that provide these capabilities to Earth and space scientists.

Hibbard, William L.↗

Non-Linear Slosh Damping Model Development and Validation

Propellant tank slosh dynamics are typically represented by a mechanical model of spring mass damper. This mechanical model is then included in the equation of motion of the entire vehicle for Guidance, Navigation and Control (GN&C) analysis. For a partially-filled smooth wall propellant tank, the critical damping based on classical empirical correlation is as low as 0.05%. Due to this low value of damping, propellant slosh is potential sources of disturbance critical to the stability of launch and space vehicles. It is postulated that the commonly quoted slosh damping is valid only under the linear regime where the slosh amplitude is small. With the increase of slosh amplitude, the critical damping value should also increase. If this nonlinearity can be verified and validated, the slosh stability margin can be significantly improved, and the level of conservatism maintained in the GN&C analysis can be lessened. The purpose of this study is to explore and to quantify the dependence of slosh damping with slosh amplitude. Accurately predicting the extremely low damping value of a smooth wall tank is very challenging for any Computational Fluid Dynamics (CFD) tool. One must resolve thin boundary layers near the wall and limit numerical damping to minimum. This computational study demonstrates that with proper grid resolution, CFD can indeed accurately predict the low damping physics from smooth walls under the linear regime. Comparisons of extracted damping values with experimental data for different tank sizes show very good agreements. Numerical simulations confirm that slosh damping is indeed a function of slosh amplitude. When slosh amplitude is low, the damping ratio is essentially constant, which is consistent with the empirical correlation. Once the amplitude reaches a critical value, the damping ratio becomes a linearly increasing function of the slosh amplitude. A follow-on experiment validated the developed nonlinear damping relationship. This discovery can lead to significant savings by reducing the number and size of slosh baffles in liquid propellant tanks.

Yang, H. Q.↗

Micromechanics Analysis Code (MAC) Developed

The ability to accurately predict the thermomechanical deformation response of advanced composite materials continues to play an important role in the development of these strategic materials. Analytical models that predict the effective behavior of composites are used not only by engineers in performing structural analysis of large-scale composite components but also by material scientists in developing new material systems. For an analytical model to fulfill these two distinct functions, it must be based on a micromechanics approach that uses physically based deformation and life constitutive models, and it must allow one to generate the average (macro) response of a composite material given the properties of the individual constituents and their geometric arrangement. Only then can such a model be used by a material scientist to investigate the effect of different deformation mechanisms on the overall response of the composite and, thereby, identify the appropriate constituents for a given application. However, if a micromechanical model is to be used in a large-scale structural analysis it must be (1) computationally efficient, (2) able to generate accurate displacement and stress fields at both the macro and micro level, and (3) compatible with the finite element method. In addition, new advancements in processing and fabrication techniques now make it possible to engineer the architectures of these advanced composite systems. Full utilization of these emerging manufacturing capabilities require the development of a computationally efficient micromechanics analysis tool that can accurately predict the effect of microstructural details on the internal and macroscopic behavior of composites. Computational efficiency is required because (1) a large number of parameters must be varied in the course of engineering (or designing) composite materials and (2) the optimization of a material's microstructure requires that the micromechanics model be integrated with optimization algorithms. From this perspective, analytical approaches that produce closed-form expressions which describe the effect of a material's internal architecture on the overall material behavior are preferable to numerical methods such as the finite element or finite difference schemes.

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User interface for integrated computer aided design systems

The purpose was the development of a user interface and other appropriate tools to be used in Computer Aided Design systems which can integrate a wide variety of independently developed design and analysis tools. The interface was intended for the integration of programs to be used in the conceptual design of aerospace systems. A user's manual is included.

Schwing, James L.↗

Development and Experimental Optimization of High-Temperature Modeling Tools and Methods for Concentrated Solar Power Particle - Systems

A novel, open-source radiative modeling toolset was developed to extend the functionality of particle-based modeling software (e.g. discrete element method (DEM)) to environmental conditions relevant to concentrated solar power applications. This toolset was optimized for deployment on desktop workstations instead of high-performance computing systems, to render such tools more accessible to the research community. Both particle-based modeling and radiative exchange modeling are computationally expensive and often require specialized programming expertise, making these methods cumbersome to use. Recent developments in DEM software by DCS Computing have greatly reduced these challenges, providing a graphical-user-interface based platform and modeling optimization for desktop workstations, HPCs, and cloud computing. The University of Dayton leveraged the experience of DCS Computing in developing a user-friendly, open-source radiative heat transfer expansion for DEM modeling. The University of Dayton DEM+ radiative modeling toolset was developed using a combination of fundamental experimental measurements, modeling, and simplified flow experiments over a range of temperatures and flow conditions. The toolset provides researchers with access to multiple radiative models including an accelerated Monte-Carlo Ray Tracing (application agnostic, highly computationally expensive), an expanded database of distance-based approximations (application limited, computationally light), and a weighted blending of the two methods capable of achieving over 90% reduction in computation time with equivalent accuracy compared to Monte-Carlo Ray Tracing. Through a graphical user interface, users can customize the radiative models to match their desired accuracy and available computational resources, improving access to particle based modeling for the research community. Ceramic sintered bauxite proppants were used in modeling and experimentally as a baseline. Both the radiative heat transfer and flow properties for particulate systems were investigated at elevated temperatures up to 800 °C. The major accomplishments for this work include a verified, open-source radiative modeling toolset to be distributed amongst the research community and the fabrication of three small-scale test facilities to investigate particle behavior and tune DEM flow properties for operation up to 800 °C. The findings have been shared with the research community via conference modeling workshops, deployment of the tools in DCS Computing Aspherix®, and open-source access to the developed radiative modeling tool. The development of next-generation CSP facilities and thermal energy storage systems based on ceramic particles requires providing access to computationally efficient and accurate modeling tools. Particles will experience a wide range of environments (20-800 °C) and handling conditions (dilute curtains or dense packing), requiring specially designed and optimized equipment. Optimizing solid particle physics models and establishing best-practices for particle modeling in CSP environments will assist researchers with designing optimized equipment, accelerating the deployment of more economically-competitive CSP facilities.

14 SOLAR ENERGY↗

Evaluation of automated decisionmaking methodologies and development of an integrated robotic system simulation, volume 2, part 1. Appendix A: Software documentation

Documentation of the preliminary software developed as a framework for a generalized integrated robotic system simulation is presented. The program structure is composed of three major functions controlled by a program executive. The three major functions are: system definition, analysis tools, and post processing. The system definition function handles user input of system parameters and definition of the manipulator configuration. The analysis tools function handles the computational requirements of the program. The post processing function allows for more detailed study of the results of analysis tool function executions. Also documented is the manipulator joint model software to be used as the basis of the manipulator simulation which will be part of the analysis tools capability.

Lowrie, J. W.↗

Computing Q-D Relationships for Storage of Rocket Fuels

The Quantity Distance Measurement Tool is a GIS BASEP computer program that aids safety engineers by calculating quantity-distance (Q-D) relationships for vessels that contain explosive chemicals used in testing rocket engines. (Q-D relationships are standard relationships between specified quantities of specified explosive materials and minimum distances by which they must be separated from persons, objects, and other explosives to obtain specified types and degrees of protection.) The program uses customized geographic-information-system (GIS) software and calculates Q-D relationships in accordance with NASA's Safety Standard For Explosives, Propellants, and Pyrotechnics. Displays generated by the program enable the identification of hazards, showing the relationships of propellant-storage-vessel safety buffers to inhabited facilities and public roads. Current Q-D information is calculated and maintained in graphical form for all vessels that contain propellants or other chemicals, the explosiveness of which is expressed in TNT equivalents [amounts of trinitrotoluene (TNT) having equivalent explosive effects]. The program is useful in the acquisition, siting, construction, and/or modification of storage vessels and other facilities in the development of an improved test-facility safety program.

Jester, Keith↗

Reuse research plans at Langley Research Center

The reuse activities at Langley have centered on the development of the Eli System by SPS. The development of a computer systems design environment at Langley was described as a target application for the future Eli system. This environment combines software development tools with an architecture design and analysis tool. Specifically, a Computer-Aided Software Engineering (CASE) system, under development at Charles Stark Draper Laboratory for Langley, is being used to generate Ada code for use in architecture functional simulations using the Architecture Design and Assessment System (ADAS). The Eli system will be included in this tool set and will be used to organize and promote reuse of the functional simulation code modules.

Voigt, Susan J.↗

In Silico Chemical Experiments in the Age of AI: From Quantum Chemistry to Machine Learning and Back

Computational chemistry is an indispensable tool for understanding molecules and predicting chemical properties. However, traditional computational methods face significant challenges due to the difficulty of solving the Schrödinger equations and the increasing computational cost with the size of the molecular system. In response, there has been a surge of interest in leveraging artificial intelligence (AI) and machine learning (ML) techniques to in silico experiments. Integrating AI and ML into computational chemistry increases the scalability and speed of the exploration of chemical space. However, challenges remain, particularly regarding the reproducibility and transferability of ML models. This review highlights the evolution of ML in learning from, complementing, or replacing traditional computational chemistry for energy and property predictions. Starting from models trained entirely on numerical data, a journey set forth toward the ideal model incorporating or learning the physical laws of quantum mechanics. This paper also reviews existing computational methods and ML models and their intertwining, outlines a roadmap for future research, and identifies areas for improvement and innovation. Ultimately, the goal is to develop AI architectures capable of predicting accurate and transferable solutions to the Schrödinger equation, thereby revolutionizing in silico experiments within chemistry and materials science.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantum-centric supercomputing for materials science: A perspective on challenges and future directions

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Computationally hard tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming much of their resources for simulation, analysis, and data processing. Quantum computing, on the other hand, is an emerging technology with the potential to accelerate many of the computational tasks needed for materials science. In order to do that, the quantum technology must interact with conventional high-performance computing in several ways: approximate results validation, identification of hard problems, and synergies in quantum-centric supercomputing. Here in this paper, we provide a perspective on how quantum-centric supercomputing can help address critical computational problems in materials science, the challenges to face in order to solve representative use cases, and new suggested directions.

36 MATERIALS SCIENCE↗

COSTMODL: An automated software development cost estimation tool

The cost of developing computer software continues to consume an increasing portion of many organizations' total budgets, both in the public and private sector. As this trend develops, the capability to produce reliable estimates of the effort and schedule required to develop a candidate software product takes on increasing importance. The COSTMODL program was developed to provide an in-house capability to perform development cost estimates for NASA software projects. COSTMODL is an automated software development cost estimation tool which incorporates five cost estimation algorithms including the latest models for the Ada language and incrementally developed products. The principal characteristic which sets COSTMODL apart from other software cost estimation programs is its capacity to be completely customized to a particular environment. The estimation equations can be recalibrated to reflect the programmer productivity characteristics demonstrated by the user's organization, and the set of significant factors which effect software development costs can be customized to reflect any unique properties of the user's development environment. Careful use of a capability such as COSTMODL can significantly reduce the risk of cost overruns and failed projects.

Roush, George B.↗

The HSCT mission analysis of waverider designs

The grant provided partial support for an investigation of wave rider design and analysis with application to High-Speed Civil Transport (HSCT) vehicles. Proposed was the development of the necessary computational fluid dynamics (CFD) tools for the direct simulation of the waverider vehicles, the development of two new wave rider design methods that would provide computational speeds and design flexibilities never before achieved in wave rider design studies, and finally the selection of a candidate waverider-based vehicle and the evaluation of the chosen vehicle for a canonical HSCT mission scenario. This, the final report, reiterates the proposed project objectives in moderate detail, and it outlines the state of completion of each portion of the study, providing references to current and forthcoming publications that resulted from this work.

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Intelligent Systems for Aerospace Engineering: An Overview

Intelligent systems are nature-inspired, mathematically sound, computationally intensive problem solving tools and methodologies that have become extremely important for advancing the current trends in information technology. Artificially intelligent systems currently utilize computers to emulate various faculties of human intelligence and biological metaphors. They use a combination of symbolic and sub-symbolic systems capable of evolving human cognitive skills and intelligence, not just systems capable of doing things humans do not do well. Intelligent systems are ideally suited for tasks such as search and optimization, pattern recognition and matching, planning, uncertainty management, control, and adaptation. In this paper, the intelligent system technologies and their application potential are highlighted via several examples.

Krishnakumar, Kalmanje↗

Effects of Mistuning on the Forced Response of Turbomachinery Rotors

The basic purpose of this research has been to develop a fundamental understanding of the effects of blade-to-blade dissimilarities, or mistuning, on the dynamics of nearly cyclic bladed-disk assemblies. This topic is of importance as mistuning has been shown to increase the forced response amplitudes of some blades significantly, and even to lead to blade failure. Furthermore, the current trend toward high performance propulsion turbomachinery designed for finite service life demands an accurate prediction of system performance and dynamics at the design stage. This objective has been achieved by carrying out the following tasks. First, the investigation of the free and forced responses of representative, yet sufficiently simple blade assembly models that capture all the important characteristics of typical turbomachinery rotors. Second, the development of computational methods that predict the effects of mistuning in a systematic and reliable way, along with the development of a systematic reduced-order modeling procedure for mistuned bladed disks. Third, the application of these findings and the tools developed to an industrial rotor, namely the first stage of turbine blades of the oxidizer turbopump in the space shuttle main rocket engine (SSME). The research supported by NASA has led to the development of a coherent theory for mistuned blade assemblies. The further implementation of these computational tools into the forced response prediction system currently under development in the Structural Dynamics Branch-FREPS-would enable the designer and the analyst to: (1) identify types of blade assemblies highly sensitive to mistuning in various frequency and other parameter ranges and (2) characterize mistuning effects on their forced response by predicting true response amplitudes and fatigue life estimates.

Pierre, Christophe↗

Effects of Mistuning on the Forced Response of Turbomachinery Rotors

The basic purpose of this research has been to develop a fundamental understanding of the effects of blade-to-blade dissimilarities, or mistuning, on the dynamics of nearly cyclic bladed-disk assemblies. This topic is of importance as mistuning has been shown to increase the forced response amplitudes of some blades significantly, and even to lead to blade failure. Furthermore, the current trend toward high performance propulsion turbomachinery designed for finite service life demands an accurate prediction of system performance and dynamics at the design stage. This objective has been achieved by carrying out the following tasks. First, the investigation of the free and forced responses of representative, yet sufficiently simple blade assembly models that capture all the important characteristics of typical turbomachinery rotors. Second, the development of computational methods that predict the effects of mistuning in a systematic and reliable way, along with the development, of a systematic reduced-order modeling procedure for mistuned bladed disks. Third, the application of these findings and the tools developed to an industrial rotor, namely the first stage of turbine blades of the oxidizer turbopump in the space shuttle main rocket engine (SSME). The research supported by NASA has led to the development of a coherent theory for mistuned blade assemblies. The further implementation of these computational tools into the forced response prediction system currently under development in the Structural Dynamics Branch Forced Response Prediction System (FREPS) would enable the designer and the analyst (1) to identify types of blade assemblies highly sensitive to mistuning in various frequency and other parameter ranges and (2), to characterize mistuning effects on their forced response by predicting true response amplitudes and fatigue life estimates.

Stefko, George L.↗