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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Improving the Capabilities and Computational Efficiency of the RTE+RRTMGP Radiation Code (Final Report)

This report details progress on the RTE+RRTMGP radiation codes made during the period of performance. RTE+RRTMGP is a set of codes for computing radiative fluxes in planetary atmospheres. RRTMGP uses a k-distribution to provide an optical description (absorption and possibly Rayleigh optical depth) of the gaseous atmosphere, along with the relevant source functions, on a pre-determined spectral grid given temperatures, pressures, and gas concentration. RTE computes fluxes given spectrally-resolved optical descriptions and source functions. Spectrally-resolved fluxes are summarized (“reduced”) via a user extensible class. The initial release of the code and the design choices are described in Pincus et al. 2019; the codes are available on Github. Although RRTMGP was based on current (at the time) empirical spectroscopic data, RTE and RRTMGP were developed in large part to modernize software practices. The design focused on flexibility broadly interpreted: by separating code from data and allowing data to drive computation; in coupling to the host model (e.g. the coupling of clouds to radiative fluxes is user-controlled); with respect to programming languages (computational tasks are accessed via widely-compatible C interfaces); and with respect to hardware (the codes run on a range of CPU and GPU architectures). The code also puts an emphasis on modularity and clarity. RTE+RRTMGP v1.0 was released in September 20219. This award supported the evolution of the RTE+RRTMGP code base to support greater flexibility, accuracy, and efficiency.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2003

Atomic-scale Modeling of the Structure and Dynamics of Dislocations in Complex Alloys at High Temperatures

We report on the progress made during the first year of the project. Most of the progress at this point has been on the theoretical and computational side. Here are the highlights: (1) A new code, tailored for high-end desktop computing, now combines modern Accelerated Dynamics (AD) with the well-tested Embedded Atom Method (EAM); (2) The new Accelerated Dynamics allows the study of relatively slow, thermally-activated processes, such as diffusion, which are much too slow for traditional Molecular Dynamics; (3) We have benchmarked the new AD code on a rather simple and well-known process: vacancy diffusion in copper; and (4) We have begun application of the AD code to the diffusion of vacancies in ordered intermetallics.

Daw, Murray S.↗
DOE OSTI2016

Introducing single-crystal scattering and optical potentials into MCNPX: Predicting neutron emission from a convoluted moderator

Neutron transport simulation codes are an indispensable tool used for the design and construction of modern neutron scattering facilities and instrumentation. It has become increasingly clear that some neutron instrumentation has started to exploit physics that is not well-modelled by the existing codes. Particularly, the transport of neutrons through single crystals and across interfaces in MCNP(X), Geant4 and other codes ignores scattering from oriented crystals and refractive effects, and yet these are essential ingredients for the performance of monochromators and ultra-cold neutron transport respectively (to mention but two examples). In light of these developments, we have extended the MCNPX code to include a single-crystal neutron scattering model and neutron reflection/refraction physics. Furthermore, we have also generated silicon scattering kernels for single crystals of definable orientation with respect to an incoming neutron beam. As a first test of these new tools, we have chosen to model the recently developed convoluted moderator concept, in which a moderating material is interleaved with layers of perfect crystals to provide an exit path for neutrons moderated to energies below the crystal s Bragg cut off at locations deep within the moderator. Studies of simple cylindrical convoluted moderator systems of 100 mm diameter and composed of polyethylene and single crystal silicon were performed with the upgraded MCNPX code and reproduced the magnitude of effects seen in experiments compared to homogeneous moderator systems. Applying different material properties for refraction and reflection, and by replacing the silicon in the models with voids, we show that the emission enhancements seen in recent experiments are primarily caused by the transparency of the silicon/void layers. Finally the convoluted moderator experiments described by Iverson et al. were simulated and we find satisfactory agreement between the measurement and the results of simulations performed using the tools we have developed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2000

SUPREM-DSMC: A New Scalable, Parallel, Reacting, Multidimensional Direct Simulation Monte Carlo Flow Code

An AFRL/NRL team has recently been selected to develop a scalable, parallel, reacting, multidimensional (SUPREM) Direct Simulation Monte Carlo (DSMC) code for the DoD user community under the High Performance Computing Modernization Office (HPCMO) Common High Performance Computing Software Support Initiative (CHSSI). This paper will introduce the JANNAF Exhaust Plume community to this three-year development effort and present the overall goals, schedule, and current status of this new code.

Campbell, David↗
NASA NTRS2008

An Assessment of Current Fan Noise Prediction Capability

In this paper, the results of an extensive assessment exercise carried out to establish the current state of the art for predicting fan noise at NASA are presented. Representative codes in the empirical, analytical, and computational categories were exercised and assessed against a set of benchmark acoustic data obtained from wind tunnel tests of three model scale fans. The chosen codes were ANOPP, representing an empirical capability, RSI, representing an analytical capability, and LINFLUX, representing a computational aeroacoustics capability. The selected benchmark fans cover a wide range of fan pressure ratios and fan tip speeds, and are representative of modern turbofan engine designs. The assessment results indicate that the ANOPP code can predict fan noise spectrum to within 4 dB of the measurement uncertainty band on a third-octave basis for the low and moderate tip speed fans except at extreme aft emission angles. The RSI code can predict fan broadband noise spectrum to within 1.5 dB of experimental uncertainty band provided the rotor-only contribution is taken into account. The LINFLUX code can predict interaction tone power levels to within experimental uncertainties at low and moderate fan tip speeds, but could deviate by as much as 6.5 dB outside the experimental uncertainty band at the highest tip speeds in some case.

Envia, Edmane↗
NASA NTRS2017

A CFD Case Study of a Fan Stage with Split Flow Path Subject to Total Pressure Distortion Inflow

This report is the documentation of the work performed under the Hypersonic Project of the NASA's Fundamental Aeronautics Program. It was funded through Task Number NNC10E444T under GESS-2 Contract NNC06BA07B. The objective of the task is to develop advanced computational tools for the simulation of multi-stage turbomachinery in support of aeropropulsion. This includes work elements in extending the TURBO code and validating the multi-stage URANS (Unsteady Reynolds Averaged Navier Stokes) simulation results with the experimental data. The unsteady CFD (Computation Fluid Dynamics) calculations were performed in full wheel mode with and without screen generated total pressure distortion at the computational inflow boundary, as well as in single passage phase lag mode for uniform inflow. The experimental data were provided by NASA from the single stage RTA (Revolutionary Turbine Accelerator) fan test program.Significant non-uniform flow condition at the fan-face of the aeropropulsion system is frequentlyencountered in many of the advanced aerospace vehicles. These propulsion systems can be eithera podded or an embedded design employed in HWB (Hybrid Wing Body) airframe concept. It isalso a topic of interest in military applications, in which advanced air vehicles have already deployedsome form of embedded propulsion systems in their design because of the requirementsof compact and low observable inlets. Even in the conventional airframe/engine design, the fancould operate under such condition when the air vehicle is undergoing rapid maneuvering action.It is believed that a better understanding of the fan’s aerodynamic and aeromechanical responseto this type of operating condition or off design operation would be beneficial to designing distortiontolerant blades for improved engine operability.The objective for this research is to assess the capability of turbomachinery code as an analysistool in understanding the effects and evaluating the impact of flow distortion on the aerodynamicand aeromechanical performance of the fan in advanced propulsion systems. Results from thetesting of an advanced fan stage released by NASA are available and will be used here for CFDcode validation. The experiment was performed at NASA’s high speed compressor facility aspart of the RTA (Revolutionary Turbine Accelerator) demonstration project, a joint effort ofNASA Glenn Research Center and GE Aircraft Engines in developing an advanced Mach 4TBCC (Turbine Based Combined Cycle) turbofan/ramjet engine for access to space. Part of thetest was to assess the aerodynamic performance and operability of the fan stage under nonuniforminflow condition. Various flow distortion patterns were created at the fan-face by manipulatingsets of screens placed upstream of the wind tunnel. Measurements at the fan-face willprovide the necessary distortion flow information as the inflow boundary condition for the CFDin a full wheel simulation. Therefore the purpose of this work is to demonstrate the NASA supportedmulti-stage turbomachinery code, TURBO [1-5], in the aerodynamic performance analysisof a modern fan design operating under off design condition, and in particular to validate theCFD results with the RTA fan test data.A brief description of the RTA fan rig configuration is given in the next section, explaining onhow flow distortion were measured in the test and constructed for the CFD at the fan-face. It isfollowed by a section summarizing previous CFD work performed at NASA relevant to the currentfan configuration. A short description of the TURBO code is given next, followed by detailsin the computational model of the fan rig, the required computing resources, and the numericalprocedure for the simulations. The CFD results are presented in the discussion section and finallyconcluding remarks are summarized.

Fan Stage↗
NASA NTRS2013

GFEChutes Lo-Fi

NASA needed to provide a software model of a parachute system for a manned re-entry vehicle. NASA has parachute codes, e.g., the Descent Simulation System (DSS), that date back to the Apollo Program. Since the space shuttle did not rely on parachutes as its primary descent control mechanism, DSS has not been maintained or incorporated into modern simulation architectures such as Osiris and Antares, which are used for new mission simulations. GFEChutes Lo-Fi is an object-oriented implementation of conventional parachute codes designed for use in modern simulation environments. The GFE (Government Furnished Equipment), low-fidelity (Lo-Fi) parachute model (GFEChutes Lo-Fi) is a software package capable of modeling the effects of multiple parachutes, deployed concurrently and/or sequentially, on a vehicle during the subsonic phase of reentry into planetary atmosphere. The term "low-fidelity" distinguishes models that represent the parachutes as simple forces acting on the vehicle, as opposed to independent aerodynamic bodies. GFEChutes Lo-Fi was created from these existing models to be clean, modular, certified as NASA Class C software, and portable, or "plug and play." The GFE Lo-Fi Chutes Model provides basic modeling capability of a sequential series of parachute activities. Actions include deploying the parachute, changing the reefing on the parachute, and cutting away the parachute. Multiple chutes can be deployed at any given time, but all chutes in that case are assumed to behave as individually isolated chutes; there is no modeling of any interactions between deployed chutes. Drag characteristics of a deployed chute are based on a coefficient of drag, the face area of the chute, and the local dynamic pressure only. The orientation of the chute is approximately modeled for purposes of obtaining torques on the vehicle, but the dynamic state of the chute as a separate entity is not integrated - the treatment is simply an approximation. The innovation in GFEChutes Lo-Fi is to use an object design that closely followed the mechanical characteristics and structure of a physical system of parachutes and their deployment mechanisms. Software objects represent the components of the system, and use of an object hierarchy allows a progression from general component outlines to specific implementations. These extra chutes were not part of the baseline deceleration sequence of drogues and mains, but still had to be simulated. The major innovation in GFEChutes Lo-Fi is the software design and architecture.

Gist, Emily↗
NASA NTRS1992

Computational/experimental analysis of three low sonic boom configurations with design modifications

The Euler code, designated AIRPLANE, which uses an unstructured tetrahedral mesh was used to compute near-field sonic boom pressure signatures on three modern low sonic boom configurations: the Mach 2, Mach 3, and Haglund models. The TEAM code which uses a multi-zoned structured grid was used to calculate pressure signatures for the Mach 2 model. The computational pressure signatures for the Mach 2 and Mach 3 models are compared with recent experimental data. The computed pressure signatures were extracted at distances less than one body length below the configuration and extrapolated to the experimental distance. The Mach 2 model was found to have larger overpressures off-ground-track than on-ground-track in both computational and experimental results. The correlations with the experiment were acceptable where the signatures were not contaminated by instrumentation and model-support hardware. AIRPLANE was used to study selected modifications to improve the overpressures of the Mach 2 model.

Cliff, Susan E.↗
DOE OSTI2024

Then and Now: Improving Software Portability, Productivity, and 100× Performance

The US Exascale Computing Project (ECP) has succeeded in preparing applications to run efficiently on the first reported Exascale supercomputers in the world. To achieve this, it modernized the whole leadership software stack, from libraries to simulation codes. In this article, we contrast selected leadership software before and after ECP. We discuss how sustainable research software development for leadership computing can embrace the conversation with the hardware vendors, the leadership computing facilities, the software community, and the domain scientists who are the application developers and integrators of software products. We elaborate on how software needs to take portability as a central design principle and to benefit from interdependent teams; we also demonstrate how moving to programming languages with high momentum, like modern C++, can help improve the sustainability, interoperability, and performance of research software. Finally, we showcase how cross-institutional efforts can enable algorithm advances that are beyond incremental performance optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Parallel sorting algorithm classification: is manual instrumentation necessary?

Understanding parallel algorithms is crucial for accelerating scientific simulations on complex, distributed memory, high-performance computers. Modern algorithm classification approaches learn semantics directly from source code to differentiate between algorithms, however, accessing source code is not always possible. We can learn about parallel algorithms from observing their performance, as programs running the same algorithms and using the same hardware should exhibit similar performance characteristics. We present an approach to learn algorithm classes from parallel performance data directly in order to classify algorithms without access to the source code. We extend previous work to enable classifying parallel sorting algorithms using automatic instrumentation instead of requiring manual region annotations in the source code. In this work, we design and demonstrate a study for classification of parallel sorting algorithms using parallel performance data collected from automatic instrumentation, and evaluate the performance of our new methodology on classification. We leverage Caliper to collect the performance data, Thicket for our exploratory data analysis (EDA), and PyTorch and Scikit-learn to evaluate the effectiveness of random forests, support vector machines (SVMs), decision trees, neural networks, and logistic regressions on parallel performance data. Additionally, we study noise in parallel performance data, whether the removal of noise and pre-processing of the data is necessary to accurately classify parallel sorting algorithms, and determine the effectiveness of features created from performance data. In conclusion, we demonstrate classification accuracy for these five different models of up to 97.7% across four different parallel algorithm classes.

Algorithm Classification↗
DOE OSTI2025

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY↗
DOE OSTI2022

Highlights for DOE ASCR Applied Math Office [Slides]

An efficient Picard-based solver is proposed for a novel energy conserving particle integrator preserving all first-order guiding center drifts and correct gyroradius for large time steps in arbitrary (non-uniform) magnetic fields. This research enables the efficient deployment of the novel asymptotic preserving (AP) particle orbit integrator into modern energy-conserving, implicit particle-in-cell codes, delivering a truly multiscale simulation capability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

The Influence of Environment on Post-Detonation Chemistry and Debris Formation (Abbreviated Final Report: 20-SI-006)

Predicting, responding to, or interpreting the chemical record preserved in debris derived from nuclear events can be challenging due to chemical fractionation. Chemical fractionation is where different species of the evolving radionuclide inventory segregate and/or are lost from the system over the timescales of debris formation. Both historic data and recent research suggest that the interaction and character of the local environment may exert controls on chemical fractionation by influencing the cooling and evolution of the associated fireball as well as the composition of the vapor term and resultant speciation. Prior to this work, an integrated platform permitting dynamic and concurrent consideration of physical and chemical evolution of early time post-detonation event environments did not exist. Our work merged historic data and experimental approaches to support development of a computational framework able to simulate fundamental processes (e.g., entrainment of local environment, oxidation chemistry, and cooling time scales) that may perturb the radionuclide inventory captured in post-detonation debris. Work with historic debris confirmed that entrained environmental material affect debris composition, structure, and radionuclide incorporation. Complementary work utilizing a readily controllable and tunable benchtop setup (a plasma flow reactor) simulated the late cooling of a nuclear fireball (e.g., T < 6000 K) and bounded the sensitivity of actinide speciation and particle size distribution to variations in oxygen concentration and cooling rates. Concurrent laser ablation and laser heating experiments were used to investigate the chemistry and physics of processes occurring in vaporized and/or rapidly heated actinides and other elements in the presence of oxygen. A more computationally efficient microphysical model was developed for predicting and evolving size distributions of particles forming from mixed vapor terms and simulating particle formation processes under a variety of extreme conditions. Continued study of historic nuclear event film confirmed that shockwave data and physics codes agree to within the uncertainty of the data. Good agreement was achieved for thermal emission from an airburst, however the paucity of low-temperature molecular opacity data for mixtures of air, bomb debris, entrained dirt, and water vapor complicate agreement for more elaborate scenarios. A multiphysics code (ALE3D) was modified to bring the necessary physics and chemistry, including these new data and insights, onto a single platform. Code development included improved initialization of large physical systems, modernization of chemistry capabilities, and modifications to enable inclusion of particle transport.

07 ISOTOPE AND RADIATION SOURCES↗
NASA NTRS1992

Low aspect ratio wing code validation experiment

An experiment was performed on a low-aspect ratio wing to define the limits of the validity of codes which are used to predict the flow over modern fighter configurations. The focus of the experiment is to provide data at or near the true operating conditions of transonic aircraft. The Reynolds numbers reached in this experiment reproduce those experienced by an aircraft with a 5-m root chord, flying at 14 to 16 km, from Mach 0.6 to 0.8. The angle-of-attack range of the experiment extends into the regime of leading-edge separation.

Olsen, Michael E.↗
NASA NTRS1987

Fighter-like vortical flow experiments/computations

The objective of this research project is to determine the ability of Euler and Navier-Stokes codes to predict vortex/shock-dominated flow that is representative of modern fighter aircraft. The motivation for this project is fourfold: (1) current fighter aircraft are capable of operating beyond C(sub L(sub MAX)); (2) high angle-of-attack vortex/shock-dominated flows are not well understood; (3) current design methods are of the trial-and-error type; and (4) current data bases are inadequate for Computational Fluid Dynamics (CFD) validation. All data and results are presented in viewgraph format.

Erickson, Larry L.↗
DOE OSTI2021

Modular High Temperature Gas-cooled Reactor: Accident Analysis

Types of Potential Accidents and Reactor Response Codes and Tools Experimental Validation Safety Analysis Approach Licensing Modernization Project Use of PRA in LMP, ASME/ANS, Non-LWR PRA Standard Methods for Incorporating Passive System Reliability into a PRA

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

AZTRAN and AZKIND verification with a BWR study case

The AZTLAN Platform project is a national initiative led by the National Institute of Nuclear Research which gather the main public institutions of higher education in Mexico: the National Polytechnic Institute, the National Autonomous University of Mexico and the Autonomous Metropolitan University. It consists in the development of a modeling platform for the analysis and design of nuclear reactors. This project aims to modernize, improve and integrate the neutronic, thermohydraulics and thermomechanical codes, developed in the national institutions, in a platform integrated and developed by Mexican experts. The development of AZTLAN Platform is divided technically into four working groups: neutronics, thermohydraulics, coupling and uncertainty analysis, and users group. The present work is the result of the activities of the Users Group focused on the follow-up, testing and use of the different codes (modules) being developed under the AZTLAN project; with the objective of providing feedback and to suggest development priorities to the team of developers, as well as to promote collaboration and synergy between the participating institutions. In particular, in this work, the AZTRAN and the AZKIND modules were verified and tested against the results of well-known codes of the nuclear industry for boiling water reactor (BWR) models. AZTRAN is a 3D transport code which solves numerically the multi-group time independent neutron transport equation in Cartesian geometry, based on the discrete ordinates (SN) method and the RTN-0 nodal scheme. AZKIND is a 3D diffusion code that solves numerically the time dependent neutron diffusion equations in Cartesian geometry, based on a Galerkin Finite Element Method using the RTN-0 polynomial nodal approximation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2018

Application of Modern Fortran to Spacecraft Trajectory Design and Optimization

In this paper, applications of the modern Fortran programming language to the field of spacecraft trajectory optimization and design are examined. Modern object-oriented Fortran has many advantages for scientific programming, although many legacy Fortran aerospace codes have not been upgraded to use the newer standards (or have been rewritten in other languages perceived to be more modern). NASA's Copernicus spacecraft trajectory optimization program, originally a combination of Fortran 77 and Fortran 95, has attempted to keep up with modern standards and makes significant use of the new language features. Various algorithms and methods are presented from trajectory tools such as Copernicus, as well as modern Fortran open source libraries and other projects.

Trajectory Optimizatio↗