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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 847 records · Page 47

Pressure-Gain Combustion for Gas Turbines

Pressure Gain Combustion (PGC) is under investigation as a means to improve the thermal efficiency of gas turbines. PGC is a fundamentally unsteady combustion process which, through some means of confinement, raises the total pressure of the working fluid relative to the initial process state. When implemented as a gas turbine combustor it yields a total pressure gain across the device instead of the typical loss seen in a conventional combustor. This pressure gain can significantly improve gas turbine performance. This presentation is a modified and updated version of a 2018 tutorial of the same name. It is tailored to a graduate student audience that is familiar with the PGC concept, but has focused entirely on a specific type of implementation. It will provide a brief review of the concept of PGC and why it's important. The majority of the presentation will describe the various approaches to implementation that are under investigation by the PGC community. Emphasis will be on strategies other than the one that the students are investigating.

Combustion↗

Introduction to Quantum Computing

Quantum computing offers the potential to revolutionize high-performance computing by providing a means to solve certain computational problems asymptotically faster than any classical computer. Quantum computing has advanced recently from merely a theoretical possibility to engineered reality, including commercial entities offering early prototype quantum processors, both special-purpose quantum annealers and general-purpose gate-model processors. The media have been showcasing each new development and implicitly conveying the message that quantum-computing ubiquity is nigh. Here, we will respond to this hype and provide an overview of the exciting but still early state of the field. In this tutorial, we introduce participants to the computational models that give quantum computing its immense computational power. We examine the thought processes that programmers need to map problems to quantum computers. And we discuss hardware and algorithmic challenges that must be overcome before quantum computing becomes a component of every software developer's repertoire. (Update of 2022 slides)

Quantum computing↗

Turbo-Design: Open-Source Radial Equilibrium Turbomachinery Solver: Part I - Turbines

Advances in 3D Geometrical Designs and Cooling have played a significant role in improving the efficiency of turbomachinery. However, these advancements must be effectively translated back to the modeler. Machine learning can facilitate this transition. Specifically, machine learning–based loss models can bridge the gap between 3D and 1D designs, enabling modelers not only to predict velocity triangles but also to extract additional geometric features. Currently, the design tools used at NASA have not been updated to support such integration—until now. TurboDesign is an open-source, Python-based framework that replaces TD2 (LEW-11029-1) and AXOD2 (LEW-16323-1), both of which are radial equilibrium solvers for axial turbines. The goal of this update is to enable the integration of machine learning loss models into radial equilibrium equations. Additionally, TurboDesign is designed to support radial machines. This paper presents the governing equations, the assumptions underlying the code, the integration of legacy loss models, an example of machine learning model integration, and a validation comparison with CFD. All code, tutorials, and documentation are available at: https://www.github.com/nasa/turbo-design

Radial Equilibrium↗

Microwave Cavity Simulation Using Ansys HFSS

The design of microwave cavity detectors for axion dark matter research is often accomplished using advanced full-wave electromagnetic simulation software tools. These tools provide a cost-effective approach to evaluate a wide variety of cavity configurations, frequency tuning mechanisms, and conductive or dielectric materials and coatings. One simulation software package used for this application is Ansys High Frequency Structure Simulator (HFSS), which is based upon the well-established finite element method. HFSS includes numerous features useful for microwave cavity design such as parametric geometry modeling, adaptive meshing algorithm, curvilinear mesh elements, driven modal and eigenmode matrix solvers, and optimization algorithms. This paper describes the use of the HFSS software to simulate microwave cavities for axion haloscope detectors, with an example tutorial for a cylindrical cavity. Excellent agreement between the simulated and analytical results is shown for the resonant frequency, quality factor, and form factor.

Ansys HFSS, Cavity simulation, finite element mode↗

Hands-on with OWL: the Oak–Ridge Wang–Landau Monte Carlo software suite

The Oak–Ridge Wang–Landau (OWL) package is an open-source scientific software specialized for large-scale, Monte Carlo simulations for the study of materials properties at finite temperature. In this paper, we discuss the main features and capabilities of OWL, followed by detailed descriptions of building and running the code. The readers will be guided through the usage and functionality of the code with a few hands-on examples. This paper is based on a tutorial on OWL given at the 32nd Center for Simulational Physics Workshop on Recent Developments in Computer Simulation Studies in Condensed Matter Physics.

Li, Ying Wai↗

Tandem Solar Cells Part 1

This tutorial was given at the 8th World Conference on Photovoltaic Energy Conversion during PV Academy.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,E↗

Machine-Learning for Battery Health Diagnosis

Battery health diagnosis often requires time-consuming measurements in laboratory conditions, but these types of measurements are unsuitable for use in real-world application such as electric vehicles. Instead, rapid measurements that can be conducted at varying environmental conditions need to be used to monitor battery health. Machine-learning techniques can then be utilized to connect these rapid measurements to health diagnostic information recorded in the lab. This presentation is a part of a tutorial on using machine-learning methods to analyze and predict battery state.

battery↗

Electrochemical Reaction Engineering: A Lost (and Found) Art

The heart (or, perhaps more appropriately, the stomach) of any chemical manufacturing process is the reactor, where chemical and physical transformations occur under precisely controlled conditions. For non-electrochemical industrial processes, the design, optimization and operation of chemical reactors are extremely well developed, drawing upon the principles of chemistry, physics, calculus and economics. However, electrolytic processes face a dearth of well documented reaction engineering principles and design practices. This tutorial-style poster presentation introduces electrochemistry students and industrial practitioners to the "lost art" of reaction engineering and its organic extensions to electrochemical devices. Electrochemical reactor fundamentals and illustrative design equations are presented alongside a proposed five-step generalizable methodology for electrochemical reactor scale-up. Overall, this contribution seeks to educate electrochemistry researchers on practical means of reducing laboratory technologies to commercial practice.

electrochemistry↗

The Virtual Test Bed (VTB) Repository: A Library of Multiphysics Reference Reactor Models using NEAMS Tools

With the next generation of nuclear reactors under development, modeling and simulation (M&S) tools are being developed by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program in order to support their design, licensing, and future operation. Mirroring the physical test beds currently under construction (i.e., EBR-II and ZPPR), the Virtual Test Bed (VTB) was launched by the National Reactor Innovation Center (NRIC) in collaboration with NEAMS to support the advanced reactor community. This collaborative effort, which involves multiple teams at both Idaho National Laboratory and Argonne National Laboratory aims to use NEAMS tools to model a wide range of reactor designs. Those models are automatically tested to ensure their continued functionality as the tools are further developed. Examples are extensively documented, each acting as a tutorial for applying the relevant NEAMS tools to that reactor design. Currently, five advanced reactor types (with a total of eight specific design variants) are simulated by a variety of different models. These models range from steady-state, core multiphysics simulations to integrated plant analysis during loss-of-flow transients.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

"Designing, simulating, and performing the 100-AV field test for the CIRCLES consortium: Methodology and Implementation of the Largest mobile traffic control experiment to date"

Previous controlled experiments on single-lane ring roads have shown that a single partially autonomous vehicle (AV) can effectively mitigate traffic waves. This naturally prompts the question of how these findings can be generalized to field operational, high-density traffic conditions. To address this question, the Congestion Impacts Reduction via CAV-in-the-loop Lagrangian Energy Smoothing (CIRCLES) Consortium conducted MegaVanderTest (MVT), a live traffic control experiment involving 100 vehicles near Nashville, TN, USA. This article is a tutorial for developing analytical and simulation-based tools essential for designing and executing a live traffic control experiment like the MVT. It presents an overview of the proposed roadmap and various procedures used in designing, monitoring, and conducting the MVT, which is the largest mobile traffic control experiment at the time. The design process is aimed at evaluating the impact of the CIRCLES AVs on surrounding traffic. The article discusses the agent-based traffic simulation framework created for this evaluation. A novel methodological framework is introduced to calibrate this microsimulation, aiming to accurately capture traffic dynamics and assess the impact of adding 100 vehicles to existing traffic. The calibration model's effectiveness is verified using data from a six-mile section of Nashville's I-24 highway. The results indicate that the proposed model establishes an effective feedback loop between the optimizer and the simulator, thereby calibrating flow and speed with different spatiotemporal characteristics to minimize the error between simulated and real-world data. Finally, We simulate AVs in multiple scenarios to assess their effect on traffic congestion. This evaluation validates the AV routes, thereby contributing to the execution of a safe and successful live traffic control experiment via AVs.

Ameli, Mostafa↗

The "PVLib" of Degradation: PVDeg

The Photovoltaic (PV) industry constantly aims for lower costs through higher-efficiency cells, improved module designs, and improvements in durability. This leads to the use of new materials, designs, and manufacturing processes, and not always with a sufficient amount of durability testing. To help drive down costs there is a desire to create modules that will last for up to 50 years of service life. To accomplish this, every degradation mode and mechanism must be identified and either eliminated or otherwise mitigated. This involves the extrapolation of laboratory results to the field conditions. There is a need to organize the existing degradation data into an accessible format and to provide industry relevant tools for extrapolation from laboratory to field conditions. While the basic equations used to model degradation are sometimes very simple, the full analysis involves calculations are cumbersome but ubiquitous for many degradation processes. A simplified, modeling framework to accomplish these repetitive processes will facilitate the analysis to help researchers keep up with the rapid pace of technological changes. In this talk, we will describe our progress creating the open-source tool PVDeg. This tool can be used to search for and analyze degradation information and extrapolate PV module performance and durability to field exposure. PVDeg simplifies many of the common foundational computational operations for obtaining meteorological data and using it to generate a model of the PV deployment. This prediction tool repository also contains various degradation models as well as a library of material parameters suitable for estimating the durability assessment of materials and components. We use an integration pipeline approach that allows us to leverage weather data from the National Solar Radiation Database, and other weather sources, to perform geospatial degradation analysis in the US and worldwide. We hope to become a repository that can be used for weathering and degradation analysis for various applications beyond the PV industry. During the talk, we will provide the PVPMC attendees the opportunity to interact with the tool via a Google Collab tutorial they can run on their phones or laptops.

durability↗

Enabling the broader adoption of fusion simulation on complex geometry

This project addressed a key barrier to advanced fusion and nuclear simulation: the difficulty of performing high-fidelity Monte Carlo neutronics directly on complex, real-world CAD geometry. Traditional workflows require engineers to rebuild CAD models as simplified constructive solid geometry, a time-consuming and error-prone process that limits design iteration and broader adoption of simulation tools. The goal of this Phase I SBIR was to make CAD-based neutronics practical, accessible, and robust for industrial and research users. During the project, Coreform significantly enhanced the Direct Accelerated Geometry Monte Carlo (DAGMC) workflow and fully integrated it into Coreform Cubit as a first-class capability. Major achievements include optimized material assignment and surface meshing workflows, substantial performance improvements to geometry imprinting and preparation, native export of DAGMC models, and new visualization tools to support OpenMC source definition and lost-particle debugging. Coreform also expanded Cubit’s capabilities as a full OpenMC preprocessor, including the ability to convert OpenMC constructive solid geometry models back into CAD for visualization, multiphysics coupling, and debugging. In collaboration with Argonne National Laboratory, the project delivered comprehensive new DAGMC documentation and training materials, transforming DAGMC from a research-oriented tool into a production-ready workflow. Results were disseminated through tutorials, conference training, and multiple well-attended webinars demonstrating integrated CAD-based neutronics and multiphysics workflows. Overall, this project demonstrated that high-fidelity Monte Carlo simulations can be performed directly on complex CAD geometry, reducing setup time, improving usability, and enabling faster, more informed design decisions for fusion and nuclear energy systems.

42 ENGINEERING↗

Safe Physics-Informed Machine Learning for Dynamics and Control

This tutorial paper focuses on safe physics-informed machine learning in the context of dynamics and control, providing a comprehensive overview of how to integrate physical models and safety guarantees. As machine learning techniques enhance the modeling and control of complex dynamical systems, ensuring safety and stability remains a critical challenge, especially in safety-critical applications like autonomous vehicles, robotics, medical decision-making, and energy systems. We explore various approaches for embedding and ensuring safety constraints, including structural priors, Lyapunov and Control Barrier Functions, predictive control, projections, and robust optimization techniques. Additionally, we delve into methods for uncertainty quantification and safety verification, including reachability analysis and neural network verification tools, which help validate that control policies remain within safe operating bounds even in uncertain environments. The paper includes illustrative examples demonstrating the implementation aspects of safe learning frameworks that combine the strengths of data-driven approaches with the rigor of physical principles, offering a path toward the safe control of complex dynamical systems.

Drgona, Jan↗

Training Efforts in the Exascale Computing Project

This article delineates the training activities carried out under the auspices of the U.S. Department of Energy’s (DOE) Exascale Computing Project (ECP). While some of these activities are specific to members of ECP, others can be beneficial to the community at large. Additionally, we report on training opportunities and resources that the broad Computer Science and Engineering (CS&E) community can tap into; we seek to increase awareness about these resources, which we expect to go beyond ECP’s scope and life cycle.

97 MATHEMATICS AND COMPUTING↗

Giving Research Software Engineers a Larger Stage Through the Better Scientific Software Fellowship

The Better Scientific Software Fellowship (BSSwF) was launched in 2018 to foster and promote practices, processes, and tools to improve developer productivity and software sustainability of scientific codes. The BSSwF’s vision is to grow the community with practitioners, leaders, mentors, and consultants to increase the visibility of scientific software. Over the last five years, many fellowship recipients and honorable mentions have identified as research software engineers (RSEs). Furthermore, case studies from several of the program’s participants illustrate the diverse ways the BSSwF has benefited both the RSE and scientific communities. In an environment where the contributions of RSEs are too often undervalued, we believe that programs such as the BSSwF can help recognize and encourage community members to step outside of their regular commitments and expand on their work, collaborations, and ideas for a larger audience.

97 MATHEMATICS AND COMPUTING↗

Matrix-Based Process Modeling in Microsoft Excel

The purpose of this document is to describe the theory and methodology of matrix-based process modeling and demonstrate its use through a generic process model within Microsoft Excel. This type of model allows a modeler to quickly query various metrics, such as total production time, for a specified production run. These matrix models tend to be quick to build and use, but come with certain limitations and are more suited for smaller processes.

97 MATHEMATICS AND COMPUTING↗

Which strategy for a protein crystallization project?

The three-dimensional, atomic-resolution protein structures produced by X-ray crystallography over the past 50+ years have led to tremendous chemical understanding of fundamental biochemical processes. The pace of discovery in protein crystallography has increased greatly with advances in molecular biology, crystallization techniques, cryocrystallography, area detectors, synchrotrons and computing. While the methods used to produce single, well-ordered crystals have also evolved over the years in response to increased understanding and advancing technology, crystallization strategies continue to be rooted in trial-and-error approaches. This review summarizes the current approaches in protein crystallization and surveys the first results to emerge from the structural genomics efforts.

Review↗

Overview of atmospheric ionizing radiation (AIR) research: SST-present

The Supersonic Transport (SST) program, proposed in 1961, first raised concern for the exposure of pregnant occupants by solar energetic particles (SEP), and neutrons were suspected to have a main role in particle propagation deep into the atmosphere. An eight-year flight program confirmed the role of SEP as a significant hazard and of the neutrons as contributing over half of the galactic cosmic ray exposures, with the largest contribution from neutrons above 10 MeV. The FAA Advisory Committee on the Radiobiological Aspects of the SST provided operational requirements. The more recent lowering of ICRP-recommended exposure limits (1990) with the classification of aircrew as "radiation workers" renewed interest in GCR background exposures at commercial flight altitudes and stimulated epidemiological studies in Europe, Japan, Canada and the USA. The proposed development of a High Speed Civil Transport (HSCT) required validation of the role of high-energy neutrons, and this resulted in ER-2 flights at solar minimum (June 1997) and studies on effects of aircraft materials on interior exposures. Recent evaluation of health outcomes of DOE nuclear workers resulted in legislation for health compensation in year 2000 and recent European aircrew epidemiological studies of health outcomes bring renewed interest in aircraft radiation exposures. As improved radiation models become available, it is imperative that a corresponding epidemiological program of US aircrew be implemented. Published by Elsevier Ltd on behalf of COSPAR.

Review↗