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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 1,189 records · Page 66

LV measurements with an advanced turboprop

Nonintrusive measurements of velocity about a spinner-propeller-nacelle configuration were made at a Mach number of 0.8. A laser velocimeter (LV) specifically developed for these measurements was used to determine the flow field of the advanced swept SR-3 propeller. The data will be used to study the flow and to verify computer prediction codes. The usefulness of the LV data in detecting flow anomalies and to substantiate the data quality was demonstrated. Some typical results are given. Mach number profiles at the entrance of the propeller are compared with theoretical predictions. The LV data is in excellent agreement with the axisymmetric, compressible, inviscid theory (without blades) ahead of the propeller except near the hub. The data indicate blade blockage near the spinner. Blade to blade variations in axial velocity for four radial positions at the propeller exist are also given. The large apparent wake near the hub is associated with the hub choking. The blade to blade variation of axial velocity ahead of a shock within the blade passage is given.

Neumann, H. E.↗

Research and development program for the development of advanced time-temperature dependent constitutive relationships. Volume 2: Programming manual

The results of a 10-month research and development program for nonlinear structural modeling with advanced time-temperature constitutive relationships are presented. The implementation of the theory in the MARC nonlinear finite element code is discussed, and instructions for the computational application of the theory are provided.

Cassenti, B. N.↗

Analytical fuel property effects--small combustors

The consequences of using broad-property fuels in both conventional and advanced state-of-the-art small gas turbine combustors are assessed. Eight combustor concepts were selected for initial screening, of these, four final combustor concepts were chosen for further detailed analysis. These included the dual orifice injector baseline combustor (a current production 250-C30 engine combustor) two baseline airblast injected modifications, short and piloted prechamber combustors, and an advanced airblast injected, variable geometry air staged combustor. Final predictions employed the use of the STAC-I computer code. This quasi 2-D model includes real fuel properties, effects of injector type on atomization, detailed droplet dynamics, and multistep chemical kinetics. In general, fuel property effects on various combustor concepts can be classified as chemical or physical in nature. Predictions indicate that fuel chemistry has a significant effect on flame radiation, liner wall temperature, and smoke emission. Fuel physical properties that govern atomization quality and evaporation rates are predicted to affect ignition and lean-blowout limits, combustion efficiency, unburned hydrocarbon, and carbon monoxide emissions.

Sutton, R. D.↗

Finite element method for optimal guidance of an advanced launch vehicle

A temporal finite element based on a mixed form of Hamilton's weak principle is summarized for optimal control problems. The resulting weak Hamiltonian finite element method is extended to allow for discontinuities in the states and/or discontinuities in the system equations. An extension of the formulation to allow for control inequality constraints is also presented. The formulation does not require element quadrature, and it produces a sparse system of nonlinear algebraic equations. To evaluate its feasibility for real-time guidance applications, this approach is applied to the trajectory optimization of a four-state, two-stage model with inequality constraints for an advanced launch vehicle. Numerical results for this model are presented and compared to results from a multiple-shooting code. The results show the accuracy and computational efficiency of the finite element method.

Hodges, Dewey H.↗

A History of Rotorcraft Comprehensive Analyses

A history of the development of rotorcraft comprehensive analyses is presented. Comprehensive analyses are digital computer programs that calculate the aeromechanical behavior of the rotor and aircraft, bringing together the most advanced models of the geometry, structure, dynamics, and aerodynamics available in rotary wing technology. The development of the major codes of the last five decades from industry, government, and universities is described. A number of common themes observed in this history are discussed.

Johnson, Wayne↗

HEPTAPOD: Orchestrating High Energy Physics Workflows Towards Autonomous Agency

Many workflows in high-energy-physics (HEP) stand to benefit from recent advances in transformer-based large language models (LLMs). While early applications of LLMs focused on text generation and code completion, modern LLMs now support orchestrated agency: the coordinated execution of complex, multi-step tasks through tool use, structured context, and iterative reasoning. We introduce the HEP Toolkit for Agentic Planning, Orchestration, and Deployment (HEPTAPOD), an orchestration framework designed to bring this emerging paradigm to HEP pipelines. The framework enables LLMs to interface with domain-specific tools, construct and manage simulation workflows, and assist in common utility and data analysis tasks through schema-validated operations and run-card-driven configuration. To demonstrate these capabilities, we consider a representative Beyond the Standard Model (BSM) Monte Carlo validation pipeline that spans model generation, event simulation, and downstream analysis within a unified, reproducible workflow. HEPTAPOD provides a structured and auditable layer between human researchers, LLMs, and computational infrastructure, establishing a foundation for transparent, human-in-the-loop systems.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗

Improving scalability of electronic structure code for molecular simulations in the presence of environment

A scalable density functional electronic code with Gaussian basis set, called UTEP-NRLMOL, is developed to perform simulations of molecular systems in the presence of the environment with particular attention to the memory requirements. In the electronic structure calculations, the memory and computation time are proportional to the number of atoms. Memory requirements for density functional calculations scale as N*N, where N is the number of atoms. While the recent advances in HPC offer platforms with large numbers of cores, the limited amount of memory available on a given node and poor scalability of the electronic structure codes hinder their efficient usage of these platforms. We have introduced new scaling and parallelization paradigms using MPI-3 shared-memory functionality combined with usage of sparse algebra and storage of matrices in sparse format. This extends the range of applicability of the UTEP-NRLMOL code to large systems over 10,000 atoms, or using up to 67,000 basis functions, and making use of HPC architectures using over 6,000 processors utilizing all available cores. We have also interfaced code with effective fragment potential and polarizable continuum model libraries. The code was used in simulations of several applications which are published in reputed scientific journals.

74 ATOMIC AND MOLECULAR PHYSICS↗

DUKSUP - A high thrust trajectory optimization code

Designing missions on expendable launch vehicles (ELV's) includes determining launch vehicle performance capabilities and trajectory characteristics over the range of mission requirements for suitable launch periods. This analysis depends on mathematically modeling both the launch vehicle and the mission requirements. Generally the result is a mathematical model that is described by an objective function to be optimized subject to an assortment of algebraic and dynamic constraints. About 30 years ago, engineers at Lewis Research Center (LeRC) undertook the task of creating a software code to solve 3D versions of such problems and based it on the Calculus of Variations/Optimal Control Theory. One of these codes, DUKSUP, has been in use at LeRC for nearly 25 years, during which time it has played an important role in a large number of studies and actual missions. Currently it is being used by about 12 analysts in the Center's Advanced Space Analysis Office (ASAO) to do mission design, feasibility studies, corroboration of contractor data and planning studies for the Space Exploration Initiative (SEI). Today, it is one of the few ELV mission analysis production codes based on variational methods. With future ELV missions in mind, ASAO is presently creating a new code to upgrade DUKSUP's capabilities.

Balkanyi, Leslie R.↗

Coupling of Spark Plasma Sintering with Advanced Modeling to Enable Process Scale-Up: Presentation to DOE-NE [Slides]

The research goal of this project is to develop at Idaho National Laboratory (INL) a first-of-its-kind Multiphysics Object-Oriented Simulation Environment (MOOSE)-based, multiscale, multiphysics spark plasma sintering (SPS) modeling and simulation code application, termed “Freya.” Freya will simulate the thermo-mechanical-electrical aspects of the SPS fabrication process and will be paired with lower length scale sub-models, such as phase-field, to predict the resulting microstructure. SPS is an advanced manufacturing process that can be used to solve a variety of material manufacturing challenges; however, this process is an extremely challenging problem for modeling and simulation. The SPS process is inherently multiphysics and multi-scale, with the macroscale electro-thermo-mechanical behavior linked intricately to the microstructure evolution of the part being sintered. Accurate modeling and simulation tools, specifically geared towards the SPS process, are needed to predict the influence of the multiple variables involved in the manufacturing process. Modeling and simulation accuracy is achieved and demonstrated through comparison to multiple validation experiments. The validation efforts for Freya include both separate effects and complete multiphysics SPS process experiments. One of the key benefits this Laboratory Directed Research & Development (LDRD) project offers stems from the emphasis placed on experimental validation of the Freya models, both on the individual length scales and of the final coupled multiscale multiphysics simulations. Experimental validation of Freya’s multiscale coupling capability provides the technical credibility necessary for potential future industry and research partners to accept the simulation predictions.

36 MATERIALS SCIENCE↗

The Ristra Project: FY20/21 Milestone Report

The ASC Advanced Technology Development and Mitigation (ATDM) sub-program was established in 2014 to develop new simulation tools operating on exascale-class computers to serve NNSA (see Appendix B). Over the course of ATDM, LANL management have set a strategy for exascale-class application codes that follows two supportive and mutually risk-mitigating paths: evolution for established production integrated design codes (IDCs) – with a strong pedigree within the user community – based upon existing programming paradigms(MPI+X); and a new start ATDM project, Ristra, a high-risk/high-reward push for a next-generation multi-physics, multi-scale simulation toolkit based on emerging advanced programming systems(with an initial focus on data-flow task-based models exemplified by Legion). The role of Ristra as the high-risk/high-reward path for LANL’s codes was fully consistent with the goals of ATDM as described in Appendix B, in particular its emphasis on evolving ASC capabilities through novel computing programming models and computing technologies.

97 MATHEMATICS AND COMPUTING↗

Advanced technology airfoil research, volume 2

A comprehensive review of airfoil research is presented. The major thrust of the research is in three areas: development of computational aerodynamic codes for airfoil analysis and design, development of experimental facilities and test techniques, and all types of airfoil applications.

Source record↗

Recent advances in PDF modeling of turbulent reacting flows

This viewgraph presentation concludes that a Monte Carlo probability density function (PDF) solution successfully couples with an existing finite volume code; PDF solution method applied to turbulent reacting flows shows good agreement with data; and PDF methods must be run on parallel machines for practical use.

Leonard, Andrew D.↗

Global Gyrokinetic Simulations of Isotope Effects under Ambipolar Electric Fields and Advances Toward Whole-Volume Modeling

We review global gyrokinetic simulation studies on plasma transport in the Large Helical Device using XGC-S. XGC-S is an extended version of X-point Gyrokinetic Code for stellarators and has been progressively verified throughout the code development process. Verification tests of neoclassical transport successfully demonstrate the generation of an ambipolar electric field due to ripple-trapped particles. We perform quasi-linear analyses of the ion temperature gradient mode under the influence of the ambipolar electric field. The results reveal that the ambipolar electric field and the heavy hydrogen component in mixed isotope plasmas can lead to the favorable isotope effect observed in recent deuterium experiments. We also present recent efforts in code development toward whole-volume simulations, including the helical divertor region. A mesh generation scheme based on field-line tracing and the construction of curved surfaces perpendicular to the magnetic field would be promising for global field calculations in the whole-volume simulations.

Basic Plasma Phenomena and Gas Discharges↗

Advanced Technology Subsonic Transport Study: N+3 Technologies and Design Concepts

Conceptual Research Corporation, the Science of the Possible, has completed a two-year study of concepts and technologies for future airliners in the 180-passenger class. This NASA-funded contract was primarily focused on the ambitious goal of a 70 percent reduction in fuel consumption versus the market-dominating Boeing 737-800. The study is related to the N+3 contracts awarded in 2008 by NASA s Aeronautics Research Mission Directorate to teams led by Boeing, GE Aviation, MIT, and Northrop Grumman, but with more modest goals and funding. CRC s contract featured a predominant emphasis on propulsion and fuel consumption, but since fuel consumption depends upon air vehicle design as much as on propulsion technology, the study included notional vehicle design, analysis, and parametric studies. Other NASA goals including NOx and noise reduction are of long-standing interest but were not highlighted in this study, other than their inclusion in the propulsion system provided to CRC by NASA. The B-737-800 was used as a benchmark, parametric tool, and design point of departure. It was modeled in the RDS-Professional aircraft design software then subjected to extensive parametric variations of parasitic drag, drag-due-to-lift, specific fuel consumption, and unsized empty weight. These studies indicated that the goal of a 70 percent reduction in fuel consumption could be attained with roughly a 30 percent improvement in all four parameters. The results were then fit to a Response Surface and coded for ease of use in subsequent trade studies. Potential technologies to obtain such savings were identified and discussed. More than 16 advanced concept designs were then prepared, attempting to investigate almost every possible emerging concept for application to this class airliner. A preliminary assessment of these concepts was done based on their total wetted area after design normalization of trimmed maximum lift. This assessment points towards a Tailless Airliner concept which was designed and analyzed in some detail. To make it work, a retracting canard and an all-moving chin rudder were employed, along with the use of the Active Aeroelastic Wing technology. Results indicate that a 60 percent savings in fuel burn may be credibly attained, but this depends upon a lot of technology maturation, concept development, and risk reduction. This should be expected-such a dramatic reduction in fuel consumption is a "game changer" in the world of commercial aviation. It won t be easy.

Raymer, Daniel P.↗

Fusing 4D coded thermoacoustic, electromagnetic, and acoustic/seismic wavefields for subsurface characterization and imaging of fluid flow in porous media

This research program aims to address critical challenges in subsurface exploration and monitoring of anthropogenic CO 2 storage by advancing quantitative dynamic sensing and imaging technologies. Two primary applications—petrophysical assessment of hydrocarbon reservoirs (C1) and CO 2 storage monitoring (C2)—require significant innovation to overcome three barriers (B1-B3). These barriers include the need for enhanced understanding of interactions between physical wave fields (thermoacoustic, electromagnetic, acoustic/seismic, and X-ray) with fluid-filled porous media, the development of multi-sensor data fusion for real-time imaging, and upscaling microscopic quantum effects for macroscopic observations. The project’s objective was to establish a unified 4D coded sensing and imaging approach, integrating EM, AC/S, and TA fields for multi-scale and multi-physics material characterization and subsurface imaging.

58 GEOSCIENCES↗

Detailed Evaluation of Electric Demand Load Shifting Potential of Heat Pump Water Heaters

Future utilities will emphasize home appliances to reduce greenhouse gas emissions while providing electric load shifting and demand profile management. Heat pump water heaters (HPWH) have demonstrated the ability to cut water heating energy by more than 65% compared with conventional electric resistance waters (ERWH). Laboratory research was conducted on the load shifting potential of grid-connected heat pump water heaters (HPWH), compared to ERWHs. Testing applied different CTA-2045 command designs. Highly-controlled laboratory experiments were conducted on one ERWH and four HPWHs, including a prototype incorporating the new CTA-2045-B protocol feature allowing ‘advanced’ load up above the tank setpoint. The prototype unit with the B-protocol increased tank temperature by 15oF (8.3C) under the advanced load up providing an increase of 1.8 kWh of storage for a 50-gallon (189 liter) tank. The prototype includes a built-in mixing valve to meet anti-scalding codes. With the load-shaping ability of CTA-2045-B, utilities might be able to store excess renewable energy in connected tanks when renewable wind and solar resource production is high. Tests were performed under baseline conditions (no load shift) and under several load-shifting schemes, including load up and advanced load up, ahead of shed commands. Grid-connected HPWHs reduced peak demand by as much as 0.5 kW, depending on tank volume, time of day, control scheme, and draw profile.

heat pump water heater, Demand flexibility, load s↗

Validation of Robustness in TCR Design Strategies

Advanced Manufacturing (AM) has been identified as one of key pathways in accelerating deployment of next generation of nuclear power plants. The nuclear industry continues to predominately rely on fabrication techniques and materials that their codes and standards were approved decades ago. This legacy approach in the highly regulated nuclear sector has brought uncertainty to commercial viability of nuclear energy in the U.S. The Transformational Challenge Reactor (TCR), sought to utilize AM methods for fabrication of a High Temperature Gas Reactor (HTGR). The program sought to leverage AM to construct a non-conventional geometry made up of TRISO fuel and hydride moderator in SiC matrix. This project objective was to provide independent analysis of the core configuration with separate set of tools and approaches than utilized by the TCR team in a 2-year time frame. This NEUP project also tackled a question: Can AM be a cost-effective tool in changing the commercial paradigm of nuclear. We investigated this question in-context of a micro HTGR. While respecting the inherit uncertainty in our input parameters, overall we saw that AM has potential in improving economic competitiveness of nuclear energy when employed on multiple fronts (i.e. few percentage cost improvement per component). Given realizing AM requires mass orders and large R&D investment for commercial utilization, Department of Energy should focus its support on few key enabling technologies and support their codes and standards development and qualification cost (including irradiation as applicable) rather than taking a diluted approach.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

PETSc/TAO developments for GPU-based early exascale systems

The Portable Extensible Toolkit for Scientific Computation (PETSc) library provides scalable solvers for nonlinear time-dependent differential and algebraic equations and for numerical optimization via the Toolkit for Advanced Optimization (TAO). PETSc is used in dozens of scientific fields and is an important building block for many simulation codes. During the U.S. Department of Energy’s Exascale Computing Project, the PETSc team has made substantial efforts to enable efficient utilization of the massive fine-grain parallelism present within exascale compute nodes and to enable performance portability across exascale architectures. We recap some of the challenges that designers of numerical libraries face in such an endeavor, and then discuss the many developments we have made, which include the addition of new GPU backends, features supporting efficient on-device matrix assembly, better support for asynchronicity and GPU kernel concurrency, and new communication infrastructure. In conclusion, we evaluate the performance of these developments on some pre-exascale systems as well as the early exascale systems Frontier and Aurora, using compute kernel, communication layer, solver, and mini-application benchmark studies, and then close with a few observations drawn from our experiences on the tension between portable performance and other goals of numerical libraries.

Exascale Computing Project (ECP)↗