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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 1,657 records · Page 92
All sourcesNASA NTRSDOE OSTI
NASA NTRS2004

Review of Research into the Concept of the Microblowing Technique for Turbulent Skin Friction Reduction

A new technology for reducing turbulent skin friction, called the Microblowing Technique (MBT), is presented. Results from proof-of-concept experiments show that this technology could potentially reduce turbulent skin friction by more than 50% of the skin friction of a solid flat plate for subsonic and supersonic flow conditions. The primary purpose of this review paper is to provide readers with information on the turbulent skin friction reduction obtained from many experiments using the MBT. Although the MBT has a penalty for obtaining the microblowing air associated with it, some combinations of the MBT with suction boundary layer control methods are an attractive alternative for a real application. Several computational simulations to understand the flow physics of the MBT are also included. More experiments and computational fluid dynamics (CFD) computations are needed for the understanding of the unsteady flow nature of the MBT and the optimization of this new technology.

Source record↗
NASA NTRS2016

Applied Time Domain Stability Margin Assessment for Nonlinear Time-Varying Systems

The baseline stability margins for NASA's Space Launch System (SLS) launch vehicle were generated via the classical approach of linearizing the system equations of motion and determining the gain and phase margins from the resulting frequency domain model. To improve the fidelity of the classical methods, the linear frequency domain approach can be extended by replacing static, memoryless nonlinearities with describing functions. This technique, however, does not address the time varying nature of the dynamics of a launch vehicle in flight. An alternative technique for the evaluation of the stability of the nonlinear launch vehicle dynamics along its trajectory is to incrementally adjust the gain and/or time delay in the time domain simulation until the system exhibits unstable behavior. This technique has the added benefit of providing a direct comparison between the time domain and frequency domain tools in support of simulation validation. This technique was implemented by using the Stability Aerospace Vehicle Analysis Tool (SAVANT) computer simulation to evaluate the stability of the SLS system with the Adaptive Augmenting Control (AAC) active and inactive along its ascent trajectory. The gains for which the vehicle maintains apparent time-domain stability defines the gain margins, and the time delay similarly defines the phase margin. This method of extracting the control stability margins from the time-domain simulation is relatively straightforward and the resultant margins can be compared to the linearized system results. The sections herein describe the techniques employed to extract the time-domain margins, compare the results between these nonlinear and the linear methods, and provide explanations for observed discrepancies. The SLS ascent trajectory was simulated with SAVANT and the classical linear stability margins were evaluated at one second intervals. The linear analysis was performed with the AAC algorithm disabled to attain baseline stability margins. At each time point, the system was linearized about the current operating point using Simulink's built-in solver. Each linearized system in time was evaluated for its rigid-body gain margin (high frequency gain margin), rigid-body phase margin, and aero gain margin (low frequency gain margin) for each control axis. Using the stability margins derived from the baseline linearization approach, the time domain derived stability margins were determined by executing time domain simulations in which axis-specific incremental gain and phase adjustments were made to the nominal system about the expected neutral stability point at specific flight times. The baseline stability margin time histories were used to shift the system gain to various values around the zero margin point such that a precise amount of expected gain margin was maintained throughout flight. When assessing the gain margins, the gain was applied starting at the time point under consideration, thereafter following the variation in the margin found in the linear analysis. When assessing the rigid-body phase margin, a constant time delay was applied to the system starting at the time point under consideration. If the baseline stability margins were correctly determined via the linear analysis, the time domain simulation results should contain unstable behavior at certain gain and phase values. Examples will be shown from repeated simulations with variable added gain and phase lag. Faithfulness of margins calculated from the linear analysis to the nonlinear system will be demonstrated.

Kiefer, J. M.↗
DOE OSTI2016

Rate-equation modelling and ensemble approach to extraction of parameters for viral infection-induced cell apoptosis and necrosis

We develop a theoretical approach that uses physiochemical kinetics modelling to describe cell population dynamics upon progression of viral infection in cell culture, which results in cell apoptosis (programmed cell death) and necrosis (direct cell death). Several model parameters necessary for computer simulation were determined by reviewing and analyzing available published experimental data. By comparing experimental data to computer modelling results, we identify the parameters that are the most sensitive to the measured system properties and allow for the best data fitting. Our model allows extraction of parameters from experimental data and also has predictive power. Using the model we describe interesting time-dependent quantities that were not directly measured in the experiment and identify correlations among the fitted parameter values. Numerical simulation of viral infection progression is done by a rate-equation approach resulting in a system of “stiff” equations, which are solved by using a novel variant of the stochastic ensemble modelling approach. The latter was originally developed for coupled chemical reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Generic EMT Modeling for IBR

In support of IEEE P2800.2, PNNL is developing an informative annex about “Generic EMT Modeling for IBR”. A literature review has been conducted, covering an IEEE Task Force, Cigre Working Group, IEEE standards, NERC reports, and research articles. In addition, the vendors of widely used simulation tools have been contacted to verify the availability of real-code models of inverters. Illustrative computer simulations will be conducted, once real-code models become accessible. If the simulation results of a real-code model are obtained, a comparative study will be performed.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Neptune Aerocapture Systems Analysis

A Neptune Aerocapture Systems Analysis is completed to determine the feasibility, benefit and risk of an aeroshell aerocapture system for Neptune and to identify technology gaps and technology performance goals. The high fidelity systems analysis is completed by a five center NASA team and includes the following disciplines and analyses: science; mission design; aeroshell configuration screening and definition; interplanetary navigation analyses; atmosphere modeling; computational fluid dynamics for aerodynamic performance and database definition; initial stability analyses; guidance development; atmospheric flight simulation; computational fluid dynamics and radiation analyses for aeroheating environment definition; thermal protection system design, concepts and sizing; mass properties; structures; spacecraft design and packaging; and mass sensitivities. Results show that aerocapture can deliver 1.4 times more mass to Neptune orbit than an all-propulsive system for the same launch vehicle. In addition aerocapture results in a 3-4 year reduction in trip time compared to all-propulsive systems. Aerocapture is feasible and performance is adequate for the Neptune aerocapture mission. Monte Carlo simulation results show 100% successful capture for all cases including conservative assumptions on atmosphere and navigation. Enabling technologies for this mission include TPS manufacturing; and aerothermodynamic methods and validation for determining coupled 3-D convection, radiation and ablation aeroheating rates and loads, and the effects on surface recession.

Lockwood, Mary Kae↗
NASA NTRS1976

Stimulation of a turbofan engine for evaluation of multivariable optimal control concepts

The development of control systems for jet engines requires a real-time computer simulation. The simulation provides an effective tool for evaluating control concepts and problem areas prior to actual engine testing. The development and use of a real-time simulation of the Pratt and Whitney F100-PW100 turbofan engine is described. The simulation was used in a multi-variable optimal controls research program using linear quadratic regulator theory. The simulation is used to generate linear engine models at selected operating points and evaluate the control algorithm. To reduce the complexity of the design, it is desirable to reduce the order of the linear model. A technique to reduce the order of the model; is discussed. Selected results between high and low order models are compared. The LQR control algorithms can be programmed on digital computer. This computer will control the engine simulation over the desired flight envelope.

Seldner, K.↗
DOE OSTI2015

Simulation of radiation-defect formation processes in heterostructures with self-assembled Ge(Si)/Si(001) nanoislands under neutron irradiation

TRISQD software is developed for the computer simulation of processes in which radiation defects are formed under the corpuscular irradiation of semiconductor heterostructures with lenticular nanoinclusions of various shapes. The computer program is used to study defect-formation processes in p-i-n diodes with the i region having a built-in 20-period lattice of self-assembled Ge(Si) nanoislands formed under irradiation with high-energy neutrons. It is found that the fraction of Ge(Si) nanoislands in which point radiation defects are formed under the impact of atomic-displacement cascades is ≤3% of their total number in the lattice. More than 94% of the defects are localized in the bulk of the p, n, and i regions of the diode and in silicon layers that separate sheets of Ge(Si) nanoislands.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High resolution numerical simulations of methane pool fires using adaptive mesh refinement

The ability to accurately predict the structure and dynamics of pool fires using computational simulations is of great interest in a wide variety of applications, including accidental and wildland fires. However, the presence of physical processes spanning a broad range of spatial and temporal scales poses a significant challenge for simulations of such fires, particularly at conditions near the transition between laminar and turbulent flow. Here, in this study, we examine the transition to turbulence in methane pool fires using high-resolution simulations with multi-step finite rate chemistry, where adaptive mesh refinement (AMR) is used to directly resolve small-scale flow phenomena. We perform three simulations of methane pool fires, each with increasing diameter, corresponding to increasing inlet Reynolds and Richardson numbers. As the diameter increases, the flow transitions from organized vortex roll-up via the puffing instability to much more chaotic mixing associated with finger formation along the shear layer and core collapse near the inlet. These effects combine to create additional mixing close to the inlet, thereby enhancing fuel consumption and causing more rapid acceleration of the fluid above the pool. We also make comparisons between the transition to turbulence and core collapse in the present pool fires and in inert helium plumes, which are often used as surrogates for the study of buoyant reacting flows.

42 ENGINEERING↗
DOE OSTI2019

Thermal Analysis Of Saltstone Disposal Units

SRR requested that SRNL develop a two-dimensional computer simulation model to be capable of predicting grout temperatures attained in Saltstone Disposal Units (SDUs) during the transient addition of saltstone grout and its subsequent storage period. A simulation model was developed to calculate the transient grout temperatures of the SDU facility by taking an axisymmetric and two-dimensional Computational Fluid Dynamics (CFD) approach. The final performance calculations were based on the conduction and radiation model without a convection cooling mechanism for conservative estimate of the grout temperatures and computational efficiency. While convection within the SDU is disabled in the current calculations, the simulation model has the capability of turning convection back on if desired by the user. Hence, the thermal model in its current configuration is best characterized as a finite-volume heat transfer model. However, given that the model can account for convection if desired by the user, it will be referred to as a CFD model. The grout material contains a transient heat source due to the exothermic hydration reactions of the cementitious material mixed with salt solution. The model can predict the transient temperatures at point locations within the poured grout and the overlying vapor space, and at the interior and exterior surfaces of the structure. The thermal model has been developed for two SDUs at the Savannah River Site (SRS); namely, SDU 2A and SDU 6. SDU 2A is a cylindrical unit measuring 150 feet (ft) in diameter, 22 ft tall, and holds approximately three million gallons of grout. SDU 6 is 375 ft in diameter and 43 ft high with a capacity of over thirty million gallons. Prior to performing the thermal calculations for the SDU 6 facility, the benchmarking test for the smaller SDU 2A unit was performed to establish the solution method and to verify the computational results using existing thermocouple data. Based on the Lagrangian discrete method and boundary conditions established by the SDU 2A benchmarking test, the CFD calculations were performed to predict the transient temperatures at local positions of the poured grout and air spaces within the SDU 6 structure.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Performance Understanding and Analysis for Exascale Data Management Workflows

The goal of the Exascale Data Management Workflows project is to create tools to support techniques for in-situ data analysis and data management. Online data management co-running with simulations accelerates the scientific processes being carried out, provides rapid and timely scientific insights, and can help avoid unnecessary and scientifically invalid simulation computations, particularly when combined with or able to utilize data from experimental instrument and/or from past simulation runs. The University of Oregon team is contributing to the performance instrumentation and analysis aspect of this project. Our focus has been on efficient performance monitoring of data management at scale. The general approach of the MONA project is depicted in Figure 1 below. The figure shows performance monitoring applied to an I/O workflow associated with a scientific simulation, with online measurements captured from this workflow informing methods for workflow reconfiguration and dynamic adjustment. The goal is to maintain suitable levels of Quality of Service for workflow execution, by understanding the under lying causes of workflow performance and behavior. One outcome is workflow performance models able to characterize realistic workflows. Another outcome is performance ’mini-apps’ implementing such workflow behavior. Out of scope for this project are advanced methods for online workflow control.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

Multiscale multiphysics and multidomain models—Flexibility and rigidity

The emerging complexity of large macromolecules has led to challenges in their full scale theoretical description and computer simulation. Multiscale multiphysics and multidomain models have been introduced to reduce the number of degrees of freedom while maintaining modeling accuracy and achieving computational efficiency. A total energy functional is constructed to put energies for polar and nonpolar solvation, chemical potential, fluid flow, molecular mechanics, and elastic dynamics on an equal footing. The variational principle is utilized to derive coupled governing equations for the above mentioned multiphysical descriptions. Among these governing equations is the Poisson-Boltzmann equation which describes continuum electrostatics with atomic charges. The present work introduces the theory of continuum elasticity with atomic rigidity (CEWAR). The essence of CEWAR is to formulate the shear modulus as a continuous function of atomic rigidity. As a result, the dynamics complexity of a macromolecular system is separated from its static complexity so that the more time-consuming dynamics is handled with continuum elasticity theory, while the less time-consuming static analysis is pursued with atomic approaches. We propose a simple method, flexibility-rigidity index (FRI), to analyze macromolecular flexibility and rigidity in atomic detail. The construction of FRI relies on the fundamental assumption that protein functions, such as flexibility, rigidity, and energy, are entirely determined by the structure of the protein and its environment, although the structure is in turn determined by all the interactions. As such, the FRI measures the topological connectivity of protein atoms or residues and characterizes the geometric compactness of the protein structure. As a consequence, the FRI does not resort to the interaction Hamiltonian and bypasses matrix diagonalization, which underpins most other flexibility analysis methods. FRI's computational complexity is of O(N{sup 2}) at most, where N is the number of atoms or residues, in contrast to O(N{sup 3}) for Hamiltonian based methods. We demonstrate that the proposed FRI gives rise to accurate prediction of protein B-Factor for a set of 263 proteins. We show that a parameter free FRI is able to achieve about 95% accuracy of the parameter optimized FRI. An interpolation algorithm is developed to construct continuous atomic flexibility functions for visualization and use with CEWAR.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

New approach for stability and bifurcation analysis on predator–prey harvesting model for interval biological parameters with time delays

This paper presents a prey–predator harvesting model with time delay for bifurcation analysis. We consider the parameters of the proposed model with imprecise data as form of interval in nature, due to the lack of precise numerical information of the biological parameters such as prey population growth rate and predator population decay rate. The interaction between prey and predator is assumed to be governed by a Holling type II functional response and discrete type gestation delay of the predator for consumption of the prey under impreciseness of the biological parameters. Parametric functional form of interval number with two parameters is introduced. This study reveals that not only delay and harvesting effort play a significant role on the stability on the system but also interval parameters play a crucial role on the stability of the system. Computer simulations of numerical examples are given to explain our proposed imprecise model. We also address critically the biological implications of our analytical findings with proper numerical example.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Fast and accurate quantum Monte Carlo for molecular crystals

Computer simulation plays a central role in modern-day materials science. The utility of a given computational approach depends largely on the balance it provides between accuracy and computational cost. Molecular crystals are a class of materials of great technological importance which are challenging for even the most sophisticated ab initio electronic structure theories to accurately describe. This is partly because they are held together by a balance of weak intermolecular forces but also because the primitive cells of molecular crystals are often substantially larger than those of atomic solids. Here, we demonstrate that diffusion quantum Monte Carlo (DMC) delivers subchemical accuracy for a diverse set of molecular crystals at a surprisingly moderate computational cost. As such, we anticipate that DMC can play an important role in understanding and predicting the properties of a large number of molecular crystals, including those built from relatively large molecules which are far beyond reach of other high-accuracy methods.

36 MATERIALS SCIENCE↗
NASA NTRS1975

Study of cryogenic propellant systems for loading the space shuttle. Part 2: Hydrogen systems

Computer simulation studies of liquid hydrogen fill and vent systems for the space shuttle are studied. The computer programs calculate maximum and minimum permissible flow rates during cooldown as limited by thermal stress considerations, fill line cooldown time, pressure drop, flow rates, vapor content, vent line pressure drop and vent line discharge temperature. The input data for these programs are selected through graphic displays which schematically depict the part of the system being analyzed. The computed output is also displayed in the form of printed messages and graphs. Digital readouts of graph coordinates may also be obtained. Procedures are given for operation of the graphic display unit and the associated minicomputer and timesharing computer.

Steward, W. G.↗
NASA NTRS2003

NASA Virtual Glovebox (VBX): Emerging Simulation Technology for Space Station Experiment Design, Development, Training and Troubleshooting

The International Space Station demonstrates the greatest capabilities of human ingenuity, international cooperation and technology development. The complexity of this space structure is unprecedented; and training astronaut crews to maintain all its systems, as well as perform a multitude of research experiments, requires the most advanced training tools and techniques. Computer simulation and virtual environments are currently used by astronauts to train for robotic arm manipulations and extravehicular activities; but now, with the latest computer technologies and recent successes in areas of medical simulation, the capability exists to train astronauts for more hands-on research tasks using immersive virtual environments. We have developed a new technology, the Virtual Glovebox (VGX), for simulation of experimental tasks that astronauts will perform aboard the Space Station. The VGX may also be used by crew support teams for design of experiments, testing equipment integration capability and optimizing the procedures astronauts will use. This is done through the 3D, desk-top sized, reach-in virtual environment that can simulate the microgravity environment in space. Additional features of the VGX allow for networking multiple users over the internet and operation of tele-robotic devices through an intuitive user interface. Although the system was developed for astronaut training and assisting support crews, Earth-bound applications, many emphasizing homeland security, have also been identified. Examples include training experts to handle hazardous biological and/or chemical agents in a safe simulation, operation of tele-robotic systems for assessing and diffusing threats such as bombs, and providing remote medical assistance to field personnel through a collaborative virtual environment. Thus, the emerging VGX simulation technology, while developed for space- based applications, can serve a dual use facilitating homeland security here on Earth.

Smith, Jeffrey D.↗
DOE OSTI2019

Development of Critical Experiments to Provide Validation Data for Multiphysics Coupling Methods (Final Report)

Computational simulation has become one of the most important tools in the modern toolbox for nuclear reactor design. Reactor simulations, like the reactors themselves, involve multiple physical processes including neutronics, fluid flow and heat transfer (thermal-hydraulics), thermo-mechanics, fuel behavior, chemistry, and balance of plant. Each process can affect the behavior of the others, and advanced computational tools have been developed that couple separate physics models together to simulate the feedback effects. The objective of this work is to generate experimental data to support the validation of multi-physics reactor codes. It specifically targets the SHARP toolset from the NEAMS Reactor Product Line, but it is intended to be useful in any set of coded that couples thermal-hydraulics with neutronics simulations. The project takes advantage of the inherent flexibility of the RPI Reactor Critical Facility (RCF), a low power open-pool research reactor. The standard configuration of the RCF is used to explore the effects of moderator temperature on neutronic behavior and reactivity. Because the low power of the reactor generates no appreciable temperature change in the moderator, the moderator temperature is artificially changed with two 18 kW electric immersion heaters. The temperature feedback effects can be observed by recording the change in the reactor power as the reactor goes from a supercritical state, to critical, to a subcritical state. To expand the temperature range and temperature rate of change that can be investigated, an experimental apparatus consisting of a heated water loop was designed and installed in the RCF. In this setup, water from a heated reservoir tank is pumped through a pipe placed through the center of the reactor core. The water in the reservoir can be heated to around 70 °C and pumped through the system. The pump has a variable flow rate and electronic control, so a number of scenarios can be developed. A slug of water can be pushed through the system to generate a reasonably fast change in reactivity. The pump speed can be increased or decreased over the course of a measurement, or even oscillated at different periods, to observe the response of the reactor. To complement the experimental data generated by the RCF, a set of computational models have been developed. They are intended to illustrate the usefulness of the experimental data generated in validating coupled multi-physics simulations. A model previously constructed in MCNP has been used in conjunction with safety analysis at the RCF for many years and was modified to support the design of the heated water loop experiment. This model was translated into Serpent 2, a similar Monte Carlo code, which provided the added advantage of being able to produce collapsed cross-section data files for use in the deterministic neutron transport codes that are part of the SHARP toolset. A complete reconstruction of the RCF model, both with and without the heated fluid loop experiment, were necessary for use with the SHARP codes, PROTEUS (neutronics) and Nek5000 (thermal hydraulics), as these require an unstructured mesh format to operate. The computational requirements for fully coupled three dimensional simulations are significant, and challenges to full implementation and comparison with RCF experiments remain. A wide variety of experiments have been conducted for eventual benchmarking and validation of multi-physics reactor codes. A complete database of detailed time- and temperature-dependent measurements have been generated and stored. Several examples of the experimental results are presented here, with refinement and analysis of experiments ongoing. While these experiments still only address a finite range of operating conditions, in particular being limited to water in the sub-boiling regime, they represent a unique (to date) look at the feedback between temperature and neutronic behavior suited for validation of the coupling routines in multi-physics codes. It is hoped that these will be the foundation of future benchmarks that will provide confidence in the tools that will be used to develop the next generation of nuclear reactor systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗