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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Flight Deck Robustness/Conformance Testing with a Surface Management System: An Integrated Pilot-Controller Human-in-the-Loop Surface Operations Simulation

An integrated flight deck and controller human-in-the-loopsimulation was conducted with a total of 120 Dallas-Ft.Worth (DFW) taxi-out operations. In this first integratedPilot-Controller Spot and Runway Departure Advisor(SARDA) simulation, ATC Ground and Local Controllersused the SARDA decision support tool to plan and issuespot release clearances and departure clearances. TheAirport and Terminal Area Simulator (ATAS), a simulatedB737NG piloted, in turn, by 10 commercial transportparticipant pilots, was integrated into the realisticsimulation traffic environment. In the simulation,controllers used SARDA advisories to issue spot release,taxi route, and runway/departure radio voice clearances toall aircraft on the airport surface. Simulation resultsindicated that under a variety of observed pilot/aircraftperformance variations, SARDA yielded controlleradvisories that were: Supportive of current-day time-basedoperations; Compatible with controllers’ expectations;Predictive of actual take-off times; and, Adaptable to offnominalevents. An Information Sharing Display, thatpresented SARDA sequence and timing information on theflight deck, was considered useful for both NextGenoperations and current-day time-based Traffic ManagementInitiative (TMI) operations.

Foyle, David C.↗
DOE OSTI2010

Progress on an integrated multi-physics simulation predictive capability for plasma chamber nuclear components

Understanding the behavior of a plasma chamber component in the fusion environment requires a simulation technique that is capable of integrating multi-disciplinary computational codes while appropriately treating geometric heterogeneity and complexity. Such a tool should be able to interpret phenomena from mutually dependent scientific disciplines and predict performance with sufficient accuracy and consistency. Integrated multi-physics simulation predictive capability (ISPC) relies upon advanced numerical simulation techniques and is being applied to ITER first wall/shield and Test Blanket Module (TBM) designs. In this paper, progress in ISPC development is described through the presentation of a number of integrated simulations. The simulations cover key physical phenomena encountered in a fusion plasma chamber system, including tritium permeation, fluid dynamics, and structure mechanics. Interface engines were developed in order to pass field data, such as surface deformation or nuclear heating rate, from the structural analysis to the thermo-fluid MHD analysis code for magnetohydrodynamic (MHD) velocity profile assessments, or from the neutronics analysis to the thermo-fluid analysis for temperature calculations, respectively. Near-term effort toward further ISPC development is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1991

The development of an autonomous rendezvous and docking simulation using rapid integration and prototyping technology

A generic planar 3 degree of freedom simulation was developed that supports hardware in the loop simulations, guidance and control analysis, and can directly generate flight software. This simulation was developed in a small amount of time utilizing rapid prototyping techniques. The approach taken to develop this simulation tool, the benefits seen using this approach to development, and on-going efforts to improve and extend this capability are described. The simulation is composed of 3 major elements: (1) Docker dynamics model, (2) Dockee dynamics model, and (3) Docker Control System. The docker and dockee models are based on simple planar orbital dynamics equations using a spherical earth gravity model. The docker control system is based on a phase plane approach to error correction.

Shackelford, John H.↗
DOE OSTI2017

Incorporating variability in simulations of seasonally forced phenology using integral projection models

Phenology models are becoming increasingly important tools to accurately predict how climate change will impact the life histories of organisms. We propose a class of integral projection phenology models derived from stochastic individual-based models of insect development and demography. Our derivation, which is based on the rate-summation concept, produces integral projection models that capture the effect of phenotypic rate variability on insect phenology, but which are typically more computationally frugal than equivalent individual-based phenology models. We demonstrate our approach using a temperature-dependent model of the demography of the mountain pine beetle (Dendroctonus ponderosae Hopkins), an insect that kills mature pine trees. This work illustrates how a wide range of stochastic phenology models can be reformulated as integral projection models. Due to their computational efficiency, these integral projection models are suitable for deployment in large-scale simulations, such as studies of altered pest distributions under climate change.

Goodsman, Devin W.↗
DOE OSTI2018

Path integral Monte Carlo simulations of warm dense aluminum

Here, we perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of aluminum. Our equation of state (EOS) simulations cover a wide density-temperature range of $0.1-32.4$~g$\,$cm$^{-3}$ and $10^4-10^8$~K. Since PIMC and DFT-MD accurately treat effects of the atomic shell structure, we find two compression maxima along the principal Hugoniot curve attributed to K-shell and L-shell ionization. The results provide a benchmark for widely used EOS tables, such as SESAME, QEOS, and models based on Thomas-Fermi and average-atom techniques. A subsequent multi-shock analysis provides a quantitative assessment for how much heating occurs relative to an isentrope in multi-shock experiments. Finally, we compute heat capacity, pair-correlation functions, the electronic density of states, and Z to reveal the evolution of the plasma structure and ionization behavior.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Integrating advanced materials simulation techniques into an automated data analysis workflow at the Spallation Neutron Source

This presentation will review developments on the integration of advanced modeling and simulation techniques into the analysis step of experimental data obtained at the Spallation Neutron Source. A workflow framework for the purpose of refining molecular mechanics force-fields against quasi-elastic neutron scattering data is presented. The workflow combines software components to submit model simulations to remote high performance computers, a message broker interface for communications between the optimizer engine and the simulation production step, and tools to convolve the simulated data with the experimental resolution. A test application shows the correction to a popular fixed-charge water model in order to account polarization effects due to the presence of solvated ions. Future enhancements to the refinement workflow are discussed. This work is funded through the DOE Center for Accelerating Materials Modeling.

Borreguero Calvo, Jose M↗
NASA NTRS2010

Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, Ohio. This is a closed-cycle system that incorporates an electrically heated reactor core module, turboalternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

Bragg-Sitton, Shannon M.↗
NASA NTRS2009

Testing of an Integrated Reactor Core Simulator and Power Conversion System with Simulated Reactivity Feedback

A Direct Drive Gas-Cooled (DDG) reactor core simulator has been coupled to a Brayton Power Conversion Unit (BPCU) for integrated system testing at NASA Glenn Research Center (GRC) in Cleveland, OH. This is a closed-cycle system that incorporates an electrically heated reactor core module, turbo alternator, recuperator, and gas cooler. Nuclear fuel elements in the gas-cooled reactor design are replaced with electric resistance heaters to simulate the heat from nuclear fuel in the corresponding fast spectrum nuclear reactor. The thermodynamic transient behavior of the integrated system was the focus of this test series. In order to better mimic the integrated response of the nuclear-fueled system, a simulated reactivity feedback control loop was implemented. Core power was controlled by a point kinetics model in which the reactivity feedback was based on core temperature measurements; the neutron generation time and the temperature feedback coefficient are provided as model inputs. These dynamic system response tests demonstrate the overall capability of a non-nuclear test facility in assessing system integration issues and characterizing integrated system response times and response characteristics.

Bragg-Sitton, Shannon M.↗
DOE OSTI2013

Path-Integral Monte Carlo Simulation of the Warm Dense Homogeneous Electron Gas

We perform calculations of the 3D finite-temperature homogeneous electron gas in the warm-dense regime $(r_s ≡ (3/4πn)^{1/3}a^{-1}_0 = 1.0 – 40.0$ and $Θ ≡ T/T_F = 0.0625 – 8.0)$ using restricted path-integral Monte Carlo simulations. Precise energies, pair correlation functions, and structure factors are obtained. For all densities, we find a significant discrepancy between the ground state parametrized local density approximation and our results around $T_F$. These results can be used as a benchmark for developing finite-temperature density functionals, as well as input for orbital-free density function theory formulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Nuclear Energy Advanced Modeling and Simulation (NEAMS) Waste Integrated Performance and Safety Codes (IPSC) : FY10 development and integration.

This report describes the progress in fiscal year 2010 in developing the Waste Integrated Performance and Safety Codes (IPSC) in support of the U.S. Department of Energy (DOE) Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign. The goal of the Waste IPSC is to develop an integrated suite of computational modeling and simulation capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive waste storage or disposal system. The Waste IPSC will provide this simulation capability (1) for a range of disposal concepts, waste form types, engineered repository designs, and geologic settings, (2) for a range of time scales and distances, (3) with appropriate consideration of the inherent uncertainties, and (4) in accordance with robust verification, validation, and software quality requirements. Waste IPSC activities in fiscal year 2010 focused on specifying a challenge problem to demonstrate proof of concept, developing a verification and validation plan, and performing an initial gap analyses to identify candidate codes and tools to support the development and integration of the Waste IPSC. The current Waste IPSC strategy is to acquire and integrate the necessary Waste IPSC capabilities wherever feasible, and develop only those capabilities that cannot be acquired or suitably integrated, verified, or validated. This year-end progress report documents the FY10 status of acquisition, development, and integration of thermal-hydrologic-chemical-mechanical (THCM) code capabilities, frameworks, and enabling tools and infrastructure.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2011

Nuclear Energy Advanced Modeling and Simulation (NEAMS) waste Integrated Performance and Safety Codes (IPSC) : gap analysis for high fidelity and performance assessment code development.

This report describes a gap analysis performed in the process of developing the Waste Integrated Performance and Safety Codes (IPSC) in support of the U.S. Department of Energy (DOE) Office of Nuclear Energy Advanced Modeling and Simulation (NEAMS) Campaign. The goal of the Waste IPSC is to develop an integrated suite of computational modeling and simulation capabilities to quantitatively assess the long-term performance of waste forms in the engineered and geologic environments of a radioactive waste storage or disposal system. The Waste IPSC will provide this simulation capability (1) for a range of disposal concepts, waste form types, engineered repository designs, and geologic settings, (2) for a range of time scales and distances, (3) with appropriate consideration of the inherent uncertainties, and (4) in accordance with rigorous verification, validation, and software quality requirements. The gap analyses documented in this report were are performed during an initial gap analysis to identify candidate codes and tools to support the development and integration of the Waste IPSC, and during follow-on activities that delved into more detailed assessments of the various codes that were acquired, studied, and tested. The current Waste IPSC strategy is to acquire and integrate the necessary Waste IPSC capabilities wherever feasible, and develop only those capabilities that cannot be acquired or suitably integrated, verified, or validated. The gap analysis indicates that significant capabilities may already exist in the existing THC codes although there is no single code able to fully account for all physical and chemical processes involved in a waste disposal system. Large gaps exist in modeling chemical processes and their couplings with other processes. The coupling of chemical processes with flow transport and mechanical deformation remains challenging. The data for extreme environments (e.g., for elevated temperature and high ionic strength media) that are needed for repository modeling are severely lacking. In addition, most of existing reactive transport codes were developed for non-radioactive contaminants, and they need to be adapted to account for radionuclide decay and in-growth. The accessibility to the source codes is generally limited. Because the problems of interest for the Waste IPSC are likely to result in relatively large computational models, a compact memory-usage footprint and a fast/robust solution procedure will be needed. A robust massively parallel processing (MPP) capability will also be required to provide reasonable turnaround times on the analyses that will be performed with the code. A performance assessment (PA) calculation for a waste disposal system generally requires a large number (hundreds to thousands) of model simulations to quantify the effect of model parameter uncertainties on the predicted repository performance. A set of codes for a PA calculation must be sufficiently robust and fast in terms of code execution. A PA system as a whole must be able to provide multiple alternative models for a specific set of physical/chemical processes, so that the users can choose various levels of modeling complexity based on their modeling needs. This requires PA codes, preferably, to be highly modularized. Most of the existing codes have difficulties meeting these requirements. Based on the gap analysis results, we have made the following recommendations for the code selection and code development for the NEAMS waste IPSC: (1) build fully coupled high-fidelity THCMBR codes using the existing SIERRA codes (e.g., ARIA and ADAGIO) and platform, (2) use DAKOTA to build an enhanced performance assessment system (EPAS), and build a modular code architecture and key code modules for performance assessments. The key chemical calculation modules will be built by expanding the existing CANTERA capabilities as well as by extracting useful components from other existing codes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRS1995

Moving base simulation of an integrated flight and propulsion control system for an ejector-augmentor STOVL aircraft in hover

A piloted motion simulator evaluation, using the NASA Ames Vertical Motion Simulator, was conducted in support of a NASA Lewis Contractual study of the integration of flight and propulsion systems of a STOVL aircraft. Objectives of the study were to validate the Design Methods for Integrated Control Systems (DMICS) concept, to evaluate the handling qualities, and to assess control power usage. The E-7D ejector-augmentor STOVL fighter design served as the basis for the simulation. Handling-qualities ratings were obtained during precision hover and shipboard landing tasks. Handling-qualities ratings for these tasks ranged from satisfactory to adequate. Further improvement of the design process to fully validate the DMICS concept appears to be warranted.

Mcneill, Walter, E.↗
DOE OSTI2015

Path integral Monte Carlo simulations of H{sub 2} adsorbed to lithium-doped benzene: A model for hydrogen storage materials

Finite temperature quantum and anharmonic effects are studied in H{sub 2}–Li{sup +}-benzene, a model hydrogen storage material, using path integral Monte Carlo (PIMC) simulations on an interpolated potential energy surface refined over the eight intermolecular degrees of freedom based upon M05-2X/6-311+G(2df,p) density functional theory calculations. Rigid-body PIMC simulations are performed at temperatures ranging from 77 K to 150 K, producing both quantum and classical probability density histograms describing the adsorbed H{sub 2}. Quantum effects broaden the histograms with respect to their classical analogues and increase the expectation values of the radial and angular polar coordinates describing the location of the center-of-mass of the H{sub 2} molecule. The rigid-body PIMC simulations also provide estimates of the change in internal energy, ΔU{sub ads}, and enthalpy, ΔH{sub ads}, for H{sub 2} adsorption onto Li{sup +}-benzene, as a function of temperature. These estimates indicate that quantum effects are important even at room temperature and classical results should be interpreted with caution. Our results also show that anharmonicity is more important in the calculation of U and H than coupling—coupling between the intermolecular degrees of freedom becomes less important as temperature increases whereas anharmonicity becomes more important. The most anharmonic motions in H{sub 2}–Li{sup +}-benzene are the “helicopter” and “ferris wheel” H{sub 2} rotations. Treating these motions as one-dimensional free and hindered rotors, respectively, provides simple corrections to standard harmonic oscillator, rigid rotor thermochemical expressions for internal energy and enthalpy that encapsulate the majority of the anharmonicity. At 150 K, our best rigid-body PIMC estimates for ΔU{sub ads} and ΔH{sub ads} are −13.3 ± 0.1 and −14.5 ± 0.1 kJ mol{sup −1}, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

A One System Integrated Approach to Simulant Selection for Hanford High Level Waste Mixing and Sampling Tests

The Hanford Tank Operations Contractor (TOC) and the Hanford Waste Treatment and Immobilization Plant (WTP) contractor are both engaged in demonstrating mixing, sampling, and transfer system capabilities using simulated Hanford High-Level Waste (HLW) formulations. This represents one of the largest remaining technical issues with the high-level waste treatment mission at Hanford. Previous testing has focused on very specific TOC or WTP test objectives and consequently the simulants were narrowly focused on those test needs. A key attribute in the Defense Nuclear Facilities Safety Board (DNFSB) Recommendation 2010-2 is to ensure testing is performed with a simulant that represents the broad spectrum of Hanford waste. The One System Integrated Project Team is a new joint TOC and WTP organization intended to ensure technical integration of specific TOC and WTP systems and testing. A new approach to simulant definition has been mutually developed that will meet both TOC and WTP test objectives for the delivery and receipt of HLW. The process used to identify critical simulant characteristics, incorporate lessons learned from previous testing, and identify specific simulant targets that ensure TOC and WTP testing addresses the broad spectrum of Hanford waste characteristics that are important to mixing, sampling, and transfer performance are described.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗