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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 1,603 records · Page 89
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Simulated Polarimetric Fields of Ice Vapor Growth Using the Adaptive Habit Model. Part II: A Case Study from the FROST Experiment

Abstract A new adaptive habit model (AHM) grows ice crystals through vapor deposition while evolving ice particle properties, including shape and effective density. The AHM provides an opportunity to investigate observed microphysical processes through the computation of polarimetric variables and corroboration with microphysical model output. This study is unique because the polarimetric scattering calculations are computed using predicted microphysical parameters rather than a priori assumptions that are imposed within the scattering calculations in the forward simulator, allowing for a more effective comparison to radar observations. Through the simulation of a case in the Front Range of the Rocky Mountains in Colorado using the Advanced Research version of the Weather Research and Forecasting Model, it is found that the AHM approximates ice mass, shape, cloud vertical structure, and temporal evolution as reflected through polarimetric quantities compared to observations. AHM reflectivity magnitudes are similar to those observed with radar and are an improvement over spherical ice crystal assumptions. Further analyses are completed to examine the effect of microphysical processes on the evolution of the differential reflectivity and specific differential phase, both of which are simulated using the AHM. Simulations reveal a polarimetric response to ice crystal mass, number, size, density, and aspect ratio. While results reveal the need for model improvements (e.g., parameterizations for aggregation rate), testing forward-simulated radar fields against observations is a first step in the validation of model microphysical and precipitation processes.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2012

Compilation of Abstracts for SC12 Conference Proceedings

1 A Breakthrough in Rotorcraft Prediction Accuracy Using Detached Eddy Simulation; 2 Adjoint-Based Design for Complex Aerospace Configurations; 3 Simulating Hypersonic Turbulent Combustion for Future Aircraft; 4 From a Roar to a Whisper: Making Modern Aircraft Quieter; 5 Modeling of Extended Formation Flight on High-Performance Computers; 6 Supersonic Retropropulsion for Mars Entry; 7 Validating Water Spray Simulation Models for the SLS Launch Environment; 8 Simulating Moving Valves for Space Launch System Liquid Engines; 9 Innovative Simulations for Modeling the SLS Solid Rocket Booster Ignition; 10 Solid Rocket Booster Ignition Overpressure Simulations for the Space Launch System; 11 CFD Simulations to Support the Next Generation of Launch Pads; 12 Modeling and Simulation Support for NASA's Next-Generation Space Launch System; 13 Simulating Planetary Entry Environments for Space Exploration Vehicles; 14 NASA Center for Climate Simulation Highlights; 15 Ultrascale Climate Data Visualization and Analysis; 16 NASA Climate Simulations and Observations for the IPCC and Beyond; 17 Next-Generation Climate Data Services: MERRA Analytics; 18 Recent Advances in High-Resolution Global Atmospheric Modeling; 19 Causes and Consequences of Turbulence in the Earths Protective Shield; 20 NASA Earth Exchange (NEX): A Collaborative Supercomputing Platform; 21 Powering Deep Space Missions: Thermoelectric Properties of Complex Materials; 22 Meeting NASA's High-End Computing Goals Through Innovation; 23 Continuous Enhancements to the Pleiades Supercomputer for Maximum Uptime; 24 Live Demonstrations of 100-Gbps File Transfers Across LANs and WANs; 25 Untangling the Computing Landscape for Climate Simulations; 26 Simulating Galaxies and the Universe; 27 The Mysterious Origin of Stellar Masses; 28 Hot-Plasma Geysers on the Sun; 29 Turbulent Life of Kepler Stars; 30 Modeling Weather on the Sun; 31 Weather on Mars: The Meteorology of Gale Crater; 32 Enhancing Performance of NASAs High-End Computing Applications; 33 Designing Curiosity's Perfect Landing on Mars; 34 The Search Continues: Kepler's Quest for Habitable Earth-Sized Planets.

HPC↗
DOE OSTI2024

Comparison of the Effect of 2 at. % Additions of Nb and Ta on the 1100 °C Oxidation Behavior of Ni-6Al-(4,6,8) Cr Model Alloys

To continue improving alloy performance in harsh service environments, the development of alumina-forming nickel-based superalloys is essential. Current generations of these alloys heavily rely on the addition of refractory elements to enhance their mechanical properties at high temperatures; however, a systematic understanding of how such additions affect the overall oxidation behavior is still not well established, particularly from the standpoint of predicting the transition from internal to external alumina formation. The present work seeks to better understand the intrinsic effects that common minor additions of Ta and Nb have on the oxidation behavior of alumina-scale-forming γ-Ni model alloys. By combining a novel simulation approach with high-temperature oxidation experiments and advanced characterization techniques, the present study provides insightful details on the differing effects that 2 at. % addition of Ta and Nb have on the alumina scale formation of Ni-based alloys during 1100 °C oxidation.

Rodriguez, Rafael↗
DOE OSTI2016

New preconditioning strategy for Jacobian-free solvers for variably saturated flows with Richards’ equation

We develop a new approach for solving the nonlinear Richards’ equation arising in variably saturated flow modeling. The growing complexity of geometric models for simulation of subsurface flows leads to the necessity of using unstructured meshes and advanced discretization methods. Typically, a numerical solution is obtained by first discretizing PDEs and then solving the resulting system of nonlinear discrete equations with a Newton-Raphson-type method. Efficiency and robustness of the existing solvers rely on many factors, including an empiric quality control of intermediate iterates, complexity of the employed discretization method and a customized preconditioner. We propose and analyze a new preconditioning strategy that is based on a stable discretization of the continuum Jacobian. We will show with numerical experiments for challenging problems in subsurface hydrology that this new preconditioner improves convergence of the existing Jacobian-free solvers 3-20 times. Furthermore, we show that the Picard method with this preconditioner becomes a more efficient nonlinear solver than a few widely used Jacobian-free solvers.

58 GEOSCIENCES↗
DOE OSTI2018

Simulating eroded soil organic carbon with the SWAT-C model

The soil erosion and associated lateral movement of eroded carbon (C) have been identified as a possible mechanism explaining the elusive terrestrial C sink of ca. 1.7-2.6 PgC yr(-1). Here we evaluated the SWAT-C model for simulating long-term soil erosion and associated eroded C yields. Our method couples the CENTURY carbon cycling processes with a Modified Universal Soil Loss Equation (MUSLE) to estimate C losses associated with soil erosion. The results show that SWAT-C is able to simulate well long-term average eroded C yields, as well as correctly estimate the relative magnitude of eroded C yields by crop rotations. We also evaluated three methods of calculating C enrichment ratio in mobilized sediments, and found that errors associated with enrichment ratio estimation represent a significant uncertainty in SWAT-C simulations. Furthermore, we discussed limitations and future development directions for SWAT-C to advance C cycling modeling and assessment.

Agriculture↗
DOE OSTI2020

On the peridynamic effective force state and multiphase constitutive correspondence principle

This article concerns modeling unsaturated deformable porous media as an equivalent single-phase and single-force state peridynamic material through the effective force state. The balance equations of linear momentum and mass of unsaturated porous media are presented by defining relevant peridynamic states. The energy balance of unsaturated porous media is utilized to derive the effective force state for the solid skeleton that is an energy conjugate to the nonlocal deformation state of the solid, and the suction force state. Through an energy equivalence, a multiphase constitutive correspondence principle is built between classical unsaturated poromechanics and peridynamic unsaturated poromechanics. The multiphase correspondence principle provides a means to incorporate advanced constitutive models in classical unsaturated porous theory directly into unsaturated peridynamic poromechanics. Finally, numerical simulations of localized failure in unsaturated porous media under different matric suctions are presented to demonstrate the feasibility of modeling the mechanical behavior of such three-phase materials as an equivalent single-phase peridynamic material through the effective force state concept.

42 ENGINEERING↗
DOE OSTI2020

Experimental and modeling study of C2–C4 alcohol autoignition at intermediate temperature conditions

C2–C4 alcohols are advantageous blendstocks identified by many research groups, including the U.S. Department of Energy Co-Optima Initiative, towards enabling efficient, boosted Spark-Ignition (SI) engines. Their use in advanced engine applications requires a comprehensive understanding of their intermediate-temperature autoignition behavior. This work reports an experimental and modeling study covering their fundamental autoignition characteristics in a twin-piston rapid compression machine at pressures of 20 and 40 bar, intermediate temperatures from 750 to 980 K, and two fuel loading conditions representative of boosted SI engines. Direct comparison between these alcohols is made, where the order of reactivity is established across different thermodynamic and fuel loading conditions. Changes in preliminary exothermicity (or intermediate-temperature heat release) displayed in single-stage autoignition across different alcohols and conditions are also quantified. This provides insight into fuel-to-fuel differences, and how these could affect advanced combustion concepts such as spark-assisted compression ignition. Kinetic models are used to simulate the experiments, and reasonable agreement is obtained. Furthermore, the sensitivity analysis results demonstrate the importance of accurately capturing the autoignition kinetics, particularly H-abstraction reactions on the parent fuels by OH and HO 2 , and the branching ratio associated with these.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Methodology for the Simulation of Molecular Motors at Different Scales

Millisecond-scale conformational transitions represent a seminal challenge for traditional molecular dynamics simulations, even with the help of high-end supercomputer architectures. Such events are particularly relevant to the study of molecular motors—proteins or abiological constructs that convert chemical energy into mechanical work. Here, we present a hybrid-simulation scheme combining an array of methods including elastic network models, transition path sampling, and advanced free-energy methods, possibly in conjunction with generalized-ensemble schemes to deliver a viable option for capturing the millisecond-scale motor steps of biological motors. The methodology is already implemented in large measure in popular molecular dynamics programs, and it can leverage the massively parallel capabilities of petascale computers. The applicability of the hybrid method is demonstrated with two examples, namely cyclodextrin-based motors and V-type ATPases.

Chemistry↗
DOE OSTI2020

Simulation of supersonic molecular beam injection fueling into H-mode plasmas on EAST using BOUT++

Transport dynamic 2D simulations for supersonic molecular beam injection (SMBI) fueling into H-mode deuterium plasmas on the Experimental Advanced Superconducting Tokamak (EAST) is first simulated using a seven-field two-fluid model in the BOUT++ framework. The SMB is assumed to be injected into plasma from the midplane at the low field side with a fixed width and constant molecular flux. The different densities and injection velocities of SMBI are investigated within the upper single-null geometry of EAST. The simulations indicate that the SMBI has a self-shielding effect on molecules' inward transport into the plasma, and the deposition of SMBI leads to a large increase in plasma density and decrease in plasma temperature. There is a velocity threshold for SMB penetrating the pedestal and depositing at the top of density pedestal. However, the deposition point would be back toward the plasma boundary after SMB arriving at the deepest penetration position. Comparing the different molecular injection velocities and densities, the outcomes demonstrate that the depth of deposition is closely related to the injection velocity rather than the molecular density. The simulated results show good agreement with the EAST experiments by comparing the electron density profiles obtained by simulation and experiment, respectively. These results will be helpful for guiding future experiments, as well as the design of the SMBI system.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Non-steady wind turbine response to daytime atmospheric turbulence

Relevant to drivetrain bearing fatigue failures, we analyse non-steady wind turbine responses from interactions between energy-dominant daytime atmospheric turbulence eddies and the rotating blades of a GE 1.5 MW wind turbine using a unique dataset from a GE field experiment and computer simulation. Time-resolved local velocity data were collected at the leading and trailing edges of an instrumented blade together with generator power, revolutions per minute, pitch and yaw. Wind velocity and temperature were measured upwind on a meteorological tower. The stability state and other atmospheric conditions during the field experiment were replicated with a large-eddy simulation in which was embedded a GE 1.5 MW wind turbine rotor modelled with an advanced actuator line method. Both datasets identify three important response time scales: advective passage of energy-dominant eddies (≈25–50 s), blade rotation (once per revolution (1P), ≈3 s) and sub-1P scale (<1 s) response to internal eddy structure. Large-amplitude short-time ramp-like and oscillatory load fluctuations result in response to temporal changes in velocity vector inclination in the aerofoil plane, modulated by eddy passage at longer time scales. Generator power responds strongly to large-eddy wind modulations. Lastly, we show that internal dynamics of the blade boundary layer near the trailing edge is temporally modulated by the non-steady external flow that was measured at the leading edge, as well as blade-generated turbulence motions.

17 WIND ENERGY↗
DOE OSTI2019

Perspectives on Research in Computational Plasma Physics With Applications to Experiments

Computational plasma physics was born some 50 years ago with the development of high-speed computers. Computer simulation is well suited to the challenging nature of fundamental and applied plasma science, which exhibits enormous ranges of time and space scales, and whose underlying mathematical framework is comprised of nonlinear partial differential equations and nonlinear kinetic equations. Computational plasma physics has advanced from relatively simple calculations with limited dimensionality and scope to sophisticated and comprehensive simulation models. Moreover, computational plasma physics has matured as a significant scientific discipline with a rigorous mathematical foundation and voluminous literature. While computational plasma physics has greatly benefitted from the growth in computing capability by many orders of magnitude, the contributions from innovation in methods and algorithms have been no less important. This talk presents a personal perspective on the development and application of computational plasma physics to plasmas in nature and in the laboratory. The examples described will be based on experience over the course of a career in computational plasma physics and illustrate both the fundamental plasma phenomena and the behavior of laboratory plasmas. Some of the specific examples include simulations of microinstabilities in the magnetic mirror, tokamak and spheromak plasmas, laser-plasma interactions, and the Knudsen-layer phenomena, as it affects fusion performance. The examples also illustrate the development of appropriate models and algorithms that are well suited to simulating the phenomena of interest efficiently. Finally, a particular interest of the author has been the development of multiple time-scale algorithms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Using simulation to quantify the reliability of control software

More than two decades ago, Butler and Finelli examined the problem of experimentally demonstrating the reliability of safety critical software and concluded that it was impractical. We revisit this conclusion in the light of recent advances in computer system virtualization technology and the capability to link virtualization tools to simulation models of physical environments. A specific demonstration of testing for reliability is offered using software that is part of a building control system. Extrapolating the results of this demonstration, we conclude that experimental demonstrations of high reliability may now be feasible for some applications.

Nutaro, James J.↗
DOE OSTI2020

Editors’ Choice—Perspective—Challenges in Moving to Multiscale Battery Models: Where Electrochemistry Meets and Demands More from Math

There has been significant recent interest in studying multiscale characteristics of current and next-generation batteries, including lithium-metal and lithium-sulfur batteries. Advances in computing power make researchers believe that the detailed multiscale models can be efficiently simulated to arrive at the insights for the degradation and performance loss; however, this is not true and special attention needs to be paid to local singularities, boundary layers, moving boundaries, etc. This article presents 2D examples that illustrate the importance of grid convergence studies, provides well-defined detailed models to test the efficiency of numerical schemes, and discusses the associated simulation challenges.

Shah, Krishna (ORCID:0000000278026361)↗
DOE OSTI2015

Rod internal pressure quantification and distribution analysis using Frapcon

This report documents work performed supporting the Department of Energy (DOE) Office of Nuclear Energy (NE) Fuel Cycle Technologies Used Fuel Disposition Campaign (UFDC) under work breakdown structure element 1.02.08.10, ST Analysis. In particular, this report fulfills the M4 milestone M4FT- 15OR0810036, Quantify effects of power uncertainty on fuel assembly characteristics, within work package FT-15OR081003 ST Analysis-ORNL. This research was also supported by the Consortium for Advanced Simulation of Light Water Reactors (http://www.casl.gov), an Energy Innovation Hub (http://www.energy.gov/hubs) for Modeling and Simulation of Nuclear Reactors under U.S. Department of Energy Contract No. DE-AC05-00OR22725. The discharge rod internal pressure (RIP) and cladding hoop stress (CHS) distributions are quantified for Watts Bar Nuclear Unit 1 (WBN1) fuel rods by modeling core cycle design data, operation data (including modeling significant trips and downpowers), and as-built fuel enrichments and densities of each fuel rod in FRAPCON-3.5. A methodology is developed which tracks inter-cycle assembly movements and assembly batch fabrication information to build individual FRAPCON inputs for each evaluated WBN1 fuel rod. An alternate model for the amount of helium released from the zirconium diboride (ZrB2) integral fuel burnable absorber (IFBA) layer is derived and applied to FRAPCON output data to quantify the RIP and CHS for these types of fuel rods. SCALE/Polaris is used to quantify fuel rodspecific spectral quantities and the amount of gaseous fission products produced in the fuel for use in FRAPCON inputs. Fuel rods with ZrB2 IFBA layers (i.e., IFBA rods) are determined to have RIP predictions that are elevated when compared to fuel rod without IFBA layers (i.e., standard rods) despite the fact that IFBA rods often have reduced fill pressures and annular fuel pellets. The primary contributor to elevated RIP predictions at burnups less than and greater than 30 GWd/MTU is determined to be the total fuel rod void volume and the amount of released fission gas in the fuel rod, respectively. Cumulative distribution functions (CDFs) are prepared from the distribution of RIP and CHS predictions for all standard and IFBA rods. The provided CDFs allow for the determination of the portion of WBN1 fuel rods that exceed a specified RIP or CHS limit. Results are separated into IFBA and standard rods so that the two groups may be analyzed individually. FRAPCON results are provided in sufficient detail to enable the recalculation of the RIP while considering any desired plenum gas temperature, total void volume, or total amount of gas present in the void volume. A method to predict the CHS from a determined or assumed RIP is also proposed, which is based on the approximately linear relationship between the CHS and the RIP. Finally, improvements to the computational methodology of FRAPCON are proposed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

FY2018 Analysis Annual Progress Report

During fiscal year 2018 (FY 2018), the U.S. Department of Energy Vehicle Technologies Office (VTO) funded analysis projects supportive of VTO’s goals to pursue early stage research in vehicle and mobility system technologies to improve energy efficiency, increase energy reliability and security, improve transportation affordability, and promote economic growth. VTO analysis projects result in a foundation of data, analytical models, and applied analyses that provide insights into critical transportation energy problems and assist in research investment prioritization and portfolio planning.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Commercialization of a Comprehensive Spark-Ignition Model for Automotive Engine Applications in CONVERGE CFD

The work completed under this CRADA commercializes an advanced hybrid Lagrangian-Eulerian spark-ignition (LESI) model for multi-dimensional engine simulations. In this report, LESI is coupled with combustion models (WSR, TFM, G-equation) to model spark channel elongation and kernel and flame development in a constant volume combustion vessel, and a four-valve direct-injection spark-ignition (4VDISI) engine in two operating conditions: stoichiometric E30 with no dilution, and stoichiometric PACE-20 with dilution using CONVERGE CFD solver.

42 ENGINEERING↗
DOE OSTI2025

COMSOL Results for the Nominal Steady-State Operation of the Proposed 95-MW LEU Silicide Core for HFIR Conversion

Engineering design studies are being performed to determine the feasibility of converting the High Flux Isotope Reactor (HFIR) from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel at Oak Ridge National Laboratory. This activity is sponsored by the Office of Reactor Conversion and Uranium Supply (ORCUS) under the auspices of the US Department of Energy National Nuclear Security Administration’s Office of Material Management and Minimization. HFIR is a very high flux, pressurized, light water–cooled and moderated, flux trap–type research reactor with a core made of involute shaped U 3 O 8 /Al cermet fuel plates and coolant channels. HFIR currently operates at a thermal power of 85 MW and supports key national and international missions in neutron scattering, isotope production, materials/fuels irradiation, neutron activation analysis, gamma irradiation, and neutrino research. Advanced multiphysics computational fluid dynamics models have been developed in the COMSOL Multiphysics software to simulate the steady-state operating conditions for the proposed low-and high-density LEU U 3 Si 2 -Al (uranium silicide dispersion) fuel designs. The COMSOL models for HFIR inner and outer fuel element models incorporate various essential inputs and physics such as spatially dependent nuclear heat deposition, multilayer heat conduction, conjugate heat transfer, turbulent flows (using Reynolds-averaged Navier Stokes turbulence models), structural mechanics (thermal–structural interactions and fuel swelling), and oxide layer build-up. This report presents the best-estimate thermal hydraulics results for the low- and high-density optimized silicide LEU core designs at 95 MW steady-state nominal operation.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1977

Development of the propulsion simulator - A test tool applicable to V/STOL configurations

A turbine engine multi-mission propulsion simulator, capable of representing inlet/airframe/nozzle flowfield interactions for supersonic V/STOL aircraft wind tunnel models, is described. The propulsion simulator replaces conventional aero flow-through and jet effects models with a single model; flow field interactions modeled by the simulator may include close-coupled inlets and nozzles, non-axisymmetric vectoring exhaust nozzles, and forward canards mounted near the inlets and wings. Wind tunnel tests of the simulation system at Mach numbers up to 1.2 are reported for a model typical of a F-15 aircraft installation. The possibility of applying the simulator to advanced V/STOL design programs is also discussed.

Eigenmann, M. F.↗