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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 1,369 records · Page 76
All sourcesNASA NTRSDOE OSTI
NASA NTRS1967

Computer program MCAP-TOSS calculates steady-state fluid dynamics of coolant in parallel channels and temperature distribution in surrounding heat-generating solid

Computer program calculates the steady state fluid distribution, temperature rise, and pressure drop of a coolant, the material temperature distribution of a heat generating solid, and the heat flux distributions at the fluid-solid interfaces. It performs the necessary iterations automatically within the computer, in one machine run.

Lee, A. Y.↗
NASA NTRS2005

High-Performance Satellite/Terrestrial-Network Gateway

A gateway has been developed to enable digital communication between (1) the high-rate receiving equipment at NASA's White Sands complex and (2) a standard terrestrial digital communication network at data rates up to 622 Mb/s. The design of this gateway can also be adapted for use in commercial Earth/satellite and digital communication networks, and in terrestrial digital communication networks that include wireless subnetworks. Gateway as used here signifies an electronic circuit that serves as an interface between two electronic communication networks so that a computer (or other terminal) on one network can communicate with a terminal on the other network. The connection between this gateway and the high-rate receiving equipment is made via a synchronous serial data interface at the emitter-coupled-logic (ECL) level. The connection between this gateway and a standard asynchronous transfer mode (ATM) terrestrial communication network is made via a standard user network interface with a synchronous optical network (SONET) connector. The gateway contains circuitry that performs the conversion between the ECL and SONET interfaces. The data rate of the SONET interface can be either 155.52 or 622.08 Mb/s. The gateway derives its clock signal from a satellite modem in the high-rate receiving equipment and, hence, is agile in the sense that it adapts to the data rate of the serial interface.

Beering, David R.↗
NASA NTRS2003

A Eulerian-Lagrangian Model to Simulate Two-Phase/Particulate Flows

Figure 1 shows a snapshot of liquid fuel spray coming out of an injector nozzle in a realistic gas-turbine combustor. Here the spray atomization was simulated using a stochastic secondary breakup model (Apte et al. 2003a) with point-particle approximation for the droplets. Very close to the injector, it is observed that the spray density is large and the droplets cannot be treated as point-particles. The volume displaced by the liquid in this region is significant and can alter the gas-phase ow and spray evolution. In order to address this issue, one can compute the dense spray regime by an Eulerian-Lagrangian technique using advanced interface tracking/level-set methods (Sussman et al. 1994; Tryggvason et al. 2001; Herrmann 2003). This, however, is computationally intensive and may not be viable in realistic complex configurations. We therefore plan to develop a methodology based on Eulerian-Lagrangian technique which will allow us to capture the essential features of primary atomization using models to capture interactions between the fluid and droplets and which can be directly applied to the standard atomization models used in practice. The numerical scheme for unstructured grids developed by Mahesh et al. (2003) for incompressible flows is modified to take into account the droplet volume fraction. The numerical framework is directly applicable to realistic combustor geometries. Our main objectives in this work are: Develop a numerical formulation based on Eulerian-Lagrangian techniques with models for interaction terms between the fluid and particles to capture the Kelvin- Helmholtz type instabilities observed during primary atomization. Validate this technique for various two-phase and particulate flows. Assess its applicability to capture primary atomization of liquid jets in conjunction with secondary atomization models.

Apte, S. V.↗
NASA NTRS1993

The modern high rate digital cassette recorder

The magnetic tape recorder has played an essential role in the capture and storage of instrumentation data for more than thirty years. During this time, data recording technology has steadily progressed to meet user demands for more channels, wider bandwidths, and longer recording durations. When acquisition and processing moved from analog to digital techniques, so recorder design followed suit. Milestones marking the evolution of the data recorder through these various stages - multi-track analog, high density longitudinal digital, and more recently rotary digital - have often represented important breakthroughs in the handling of ever-greater quantities of data. Throughout this period there has been a very clear line of demarcation between data storage methods in the 'instrumentation world' on the one hand and the 'computer peripheral world' on the other. This is despite the fact that instrumentation data, whether analog or digital at the point of acquisition, is now likely to be processed on a digital computer at some stage. Regardless of whether the processing device is a small personal computer, a workstation, or the largest supercomputer, system integrators have traditionally been faced with the same basic problem - how to interface what is essentially a manually controlled, continuously running device (the tape recorder) into the fast start/stop computer environment without resorting to an excessive amount of complex custom interfacing and performance compromise. The increasing availability of affordable high power processing equipment throughout the scientific world is forcing recorder manufacturers to make their latest and perhaps most important breakthrough - the computer-friendly data recorder. The operating characteristics of such recorders are discussed and the resultant impact on both data acquisition and data analysis elements of system configuration are considered.

Clemow, Martin↗
NASA NTRS2017

Critical Software for Human Spaceflight

The NASA Orion vehicle that will fly to the moon in the next years is propelled along its mission by the European Service Module (ESM), developed by ESA and its prime contractor Airbus Defense and Space. This paper describes the development of the Propulsion Drive Electronics (PDE) Software that provides the interface between the propulsion hardware of the European Service Module with the Orion flight computers, and highlights the challenges that have been faced during the development. Particularly, the specific aspects relevant to Human Spaceflight in an international cooperation are presented, as the compliance to both European and US standards and the software criticality classification to the highest category A. An innovative aspect of the PDE SW is its Time- Triggered Ethernet interface with the Orion Flight Computers, which has never been flown so far on any European spacecraft. Finally the verification aspects are presented, applying the most exigent quality requirements defined in the European Cooperation for Space Standardization (ECSS) standards such as the structural coverage analysis of the object code and the recourse to an independent software verification and validation activity carried on in parallel by a different team.

Preden, Antonio↗
DOE OSTI2020

A simple and effective five-equation two-phase numerical model for liquid-vapor phase transition in cavitating flows

Numerical difficulties, notably the non-monotonic behavior of the Wood speed of sound and the volume fraction positivity, associated with the reduced five-equation two-phase flow model of Kapila et al. (2001) [A.K. Kapila, R. Menikoff, J.B. Bdzil, S.F. Son, D.S. Stewart, 2001. Two-phase modeling of deflagration-to-detonation transition in granular materials: reduced equations, Physics of Fluids 13(10), 3002–3024] have been resolved in the past through the introduction of a frozen speed of sound and an algebraic approach for mechanical relaxation afforded by a pressure non-equilibrium six-equation model proposed by [R. Saurel, F. Petitpas, R.A. Berry, 2009. Simple and efficient relaxation methods for interfaces separating compressible fluids, cavitating flows and shocks in multiphase mixture, J. Comput. Phys. 228, 1678–1712]. By contrast, it is explored and demonstrated in this work that these difficulties can in fact still be resolved within the numerical scheme for solving the reduced five-equation model by numerically replacing the Wood speed of sound for the estimates of wave speeds in the approximate Riemann solver HLLC with the monotonic mixture speed of sound for a transport five-equation model. For shock interface (artificial mixture separating pure or nearly pure fluids) interaction problems, with the apparent advantage of monotonic behavior of the speed of sound in the interface, the effect of the numerical replacement is also confined to the interface. Differences other than the behavior of the speed of sound within the interface in the solutions due to the replacement diminish with increasing resolution when reasonable solution can be obtained with Wood speed of sound. For cavitating/expansion problems in physical fluid mixture, it is pointed out and explained why acoustics in the numerical solutions still propagate at the Wood speed of sound (therefore consistent with the reduced five-equation model) even though in some cases a much higher speed of sound like the numerical replacement above for solving the reduced five-equation model or the frozen speed of sound for solving a six-equation model is used for the estimates of wave speeds in the HLLC scheme. A variant of the five-equation two-phase flow model by Saurel et al. (2008) [R. Saurel, F. Petitpas, R. Abgrall, 2008. Modelling phase transition in metastable liquids: application to cavitating and flashing flows, J. Fluid Mech. 607, 313–350] is then constructed for liquid-vapor phase transition in cavitating flows. The relaxation toward thermo-chemical equilibrium during phase transition is achieved by solving a simple system of algebraic equations for the equilibrium state variables for better efficiency, following Pelanti and Shyue (2014) [M. Pelanti, K.-M. Shyue, 2014. A mixture-energy-consistent six-equation two-phase numerical model for fluid with interfaces, cavitation and evaporation waves. J. Comput. Phys. 259, 331–357]. Therefore, the current model retains both the simplicity afforded by the five-equation model and the efficiency of the algebraic relaxation solver. An alternative algebraic approach for handling the non-conservative term (the so-called K∇ · u term) in the reduced five-equation model for mechanical equilibrium of a liquid-vapor mixture is also explored by enforcing the thermal equilibrium at the same time. Finally, numerical results of sample tests in both one and two dimensions in the literature as well as that in three dimensions demonstrate the effectiveness and ability of the proposed model to simulate cavitating flows. An interesting mechanism of shock generation by acoustics in water due to phase transition is then found by the numerical simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2009

Nearly Interactive Parabolized Navier-Stokes Solver for High Speed Forebody and Inlet Flows

A system of computer programs is being developed for the preliminary design of high speed inlets and forebodies. The system comprises four functions: geometry definition, flow grid generation, flow solver, and graphics post-processor. The system runs on a dedicated personal computer using the Windows operating system and is controlled by graphical user interfaces written in MATLAB (The Mathworks, Inc.). The flow solver uses the Parabolized Navier-Stokes equations to compute millions of mesh points in several minutes. Sample two-dimensional and three-dimensional calculations are demonstrated in the paper.

Benson, Thomas J.↗
DOE OSTI2020

Effects of charged interfaces on electrolyte decomposition at the lithium metal anode

Lithium–Sulfur batteries are promising candidates to substitute conventional Li-ion batteries due to their higher energy density and reduced cost. However, several challenges related to the reactivity of the lithium metal anode have prevented this technology from becoming broadly commercialized. Lithium's high reactive nature leads to the continuous decomposition of the electrolyte and the formation of the solid-electrolyte interphase (SEI) layer. Thus, a comprehensive understanding of how the SEI film is formed is crucial to help elucidate improvements for this battery technology. In this work, we use density functional theory (DFT) based computational methods to investigate the effect of charged interfaces on the electrolyte degradation at the lithium anode. Here, several electrolyte mixtures were considered including 1,2-dimethoxyethane (DME) and 1,3-dioxolane (DOL) as solvents, and lithium bis(fluorosulfonyl)imide (LiFSI) and lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) as salts. It is found that the extent of salt decomposition is higher when the interface is charged. In addition, two types of solvent reduction mechanisms are identified: C–O bond cleavage and radical attacks. Charge transfer and evolution analysis are characterized in detail. Finally, solvent decomposition reactions are found to become more thermodynamically favorable and their activation barriers to be diminished under the effect of constant potentials and electric fields.

25 ENERGY STORAGE↗
DOE OSTI2021

DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various density functional theory packages

We report Dynamical Mean Field Theory (DMFT) is a successful method to compute the electronic structure of strongly correlated materials, especially when it is combined with density functional theory (DFT). Here, we present an open-source computational package (and a library) combining DMFT with various DFT codes interfaced through the Wannier90 package. The correlated subspace is expanded as a linear combination of Wannier functions introduced in the DMFT approach as local orbitals. In particular, we provide a library mode for computing the DMFT density matrix. This library can be linked and then internally called from any DFT package, assuming that a set of localized orbitals can be generated in the correlated subspace. The existence of this library allows developers of other DFT codes to interface with our package and achieve the charge-self-consistency within DFT+DMFT loops. To test and check our implementation, we computed the density of states and the band structure of well-known solid-state correlated materials, namely LaNiO, SrVO, and NiO. The obtained results are compared to those obtained from other DFT+DMFT implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Solvent Effects on Catalytic Reactions and Related Phenomena at Liquid-Solid Interfaces

Catalytic reactions involve the direct interaction of reactants, intermediates and products with the catalyst surface. We not only need to control the atomic structure and electronic properties of the active site, but also explore the multiple molecular interactions that occur beyond the active site; they play an essential role in altering the binding and reactivity of surface species. In liquid-phase catalysis, solvents provide additional degrees of freedom in the design of the catalytic process for desirable activity and selectivity. Here, the multi-faceted effects of solvents have a profound impact on the catalyst performance by restricting the mass transfer to the site, tuning the chemical potential of the surface species, competing for active sites, stabilizing the initial and transition states, and causing mechanistic changes by participating in the kinetically relevant elementary steps. This review addresses the different aspects of solvent effects, using a few prototype solid-liquid interfaces to illustrate these fundamental features. Recent experimental and computational studies that provide new insight at the molecular level are examined. Solvent structures in the proximity of the catalyst surface are discussed along with their influence in molecular binding and reaction at the solid-liquid interfaces. Furthermore, opportunities to alter such a solid-liquid interaction by tuning the wettability of the catalyst surfaces are explored.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1995

Design of a real-time wind turbine simulator using a custom parallel architecture

The design of a new parallel-processing digital simulator is described. The new simulator has been developed specifically for analysis of wind energy systems in real time. The new processor has been named: the Wind Energy System Time-domain simulator, version 3 (WEST-3). Like previous WEST versions, WEST-3 performs many computations in parallel. The modules in WEST-3 are pure digital processors, however. These digital processors can be programmed individually and operated in concert to achieve real-time simulation of wind turbine systems. Because of this programmability, WEST-3 is very much more flexible and general than its two predecessors. The design features of WEST-3 are described to show how the system produces high-speed solutions of nonlinear time-domain equations. WEST-3 has two very fast Computational Units (CU's) that use minicomputer technology plus special architectural features that make them many times faster than a microcomputer. These CU's are needed to perform the complex computations associated with the wind turbine rotor system in real time. The parallel architecture of the CU causes several tasks to be done in each cycle, including an IO operation and the combination of a multiply, add, and store. The WEST-3 simulator can be expanded at any time for additional computational power. This is possible because the CU's interfaced to each other and to other portions of the simulation using special serial buses. These buses can be 'patched' together in essentially any configuration (in a manner very similar to the programming methods used in analog computation) to balance the input/ output requirements. CU's can be added in any number to share a given computational load. This flexible bus feature is very different from many other parallel processors which usually have a throughput limit because of rigid bus architecture.

Hoffman, John A.↗
NASA NTRS1986

Extending the granularity of representation and control for the MIL-STD CAIS 1.0 node model

The Common APSE (Ada 1 Program Support Environment) Interface Set (CAIS) (DoD85) node model provides an excellent baseline for interfaces in a single-host development environment. To encompass the entire spectrum of computing, however, the CAIS model should be extended in four areas. It should provide the interface between the engineering workstation and the host system throughout the entire lifecycle of the system. It should provide a basis for communication and integration functions needed by distributed host environments. It should provide common interfaces for communications mechanisms to and among target processors. It should provide facilities for integration, validation, and verification of test beds extending to distributed systems on geographically separate processors with heterogeneous instruction set architectures (ISAS). Additions to the PROCESS NODE model to extend the CAIS into these four areas are proposed.

Rogers, Kathy L.↗
NASA NTRS2000

A Debugger for Computational Grid Applications

The p2d2 project at NAS has built a debugger for applications running on heterogeneous computational grids. It employs a client-server architecture to simplify the implementation. Its user interface has been designed to provide process control and state examination functions on a computation containing a large number of processes. It can find processes participating in distributed computations even when those processes were not created under debugger control. These process identification techniques work both on conventional distributed executions as well as those on a computational grid.

Hood, Robert↗
DOE OSTI2025

Evolution and Degradation Patterns of Electrochemical Cells Based on the Analysis of Interfacial Phenomena at Li Metal Anode/Electrolyte Interfaces

In this work, we report the results of a theoretical–computational analysis of the solid electrolyte interphase (SEI) growth and degradation dynamics occurring in lithium metal batteries during cycling. We use ab initio-kinetic Monte Carlo simulations to generate a synthetic data set, which is analyzed by machine learning methods. We aim to determine: (i) how modifications in interfacial interaction energies between solid electrolyte interphase (SEI) blocks and between Li ions and SEI facets impact the Coulombic efficiency (CE) of the battery and (ii) what factors, including reactions, microscopic transport, and other interfacial events, may lead to cell performance “failure” during prolonged charge and discharge cycles, signaled as a sharp decay in the CE over cycling. The demonstration of our approach is done on a cell including a Li metal surface interfacing with a previously introduced state-of-the-art electrolyte, and the idea can be applied to any electrochemical system. Outcomes include the identification of the leading chemical, physical, and structural variables causing cell failure and relating them to the electrolyte formulation, thus paving the way to future more refined analysis and electrolyte design.

batteries↗
NASA NTRS2012

OVERSMART Reporting Tool for Flow Computations Over Large Grid Systems

Structured grid solvers such as NASA's OVERFLOW compressible Navier-Stokes flow solver can generate large data files that contain convergence histories for flow equation residuals, turbulence model equation residuals, component forces and moments, and component relative motion dynamics variables. Most of today's large-scale problems can extend to hundreds of grids, and over 100 million grid points. However, due to the lack of efficient tools, only a small fraction of information contained in these files is analyzed. OVERSMART (OVERFLOW Solution Monitoring And Reporting Tool) provides a comprehensive report of solution convergence of flow computations over large, complex grid systems. It produces a one-page executive summary of the behavior of flow equation residuals, turbulence model equation residuals, and component forces and moments. Under the automatic option, a matrix of commonly viewed plots such as residual histograms, composite residuals, sub-iteration bar graphs, and component forces and moments is automatically generated. Specific plots required by the user can also be prescribed via a command file or a graphical user interface. Output is directed to the user s computer screen and/or to an html file for archival purposes. The current implementation has been targeted for the OVERFLOW flow solver, which is used to obtain a flow solution on structured overset grids. The OVERSMART framework allows easy extension to other flow solvers.

Kao, David L.↗
NASA NTRSDate not supplied

Validation of Cryogenic Propellant Tank Self-Pressurization by Leveraging Reduced Order Modeling within Computational Fluid Dynamics Simulation

Validation of cryogenic propellant tank self-pressurization was performed using a hybrid Computational Fluid Dynamics (CFD) and reduced order modeling methodology. Data from a liquid hydrogen ground test conducted at the K-site facility at the National Aeronautics and Space Administration (NASA) Glenn Research Center was used for the validation effort. Liquid phase dynamics were explicitly resolved with a CFD tool. Vapor phase dynamics were modeled as a point mass that communicated heat from the tank wall to the liquid phase via a boundary condition used at the gas-liquid interface. The method proved to be more accurate, robust, and efficient than explicit resolution of the dynamics using a standard Volume of Fluid (VOF) methodology. The subject pressurization process was found to be heavily dependent upon both the relatively high liquid temperature gradient near the gas-liquid interface and the natural convection flow path. Modeling the gas-liquid interface as an immovable surface eliminated temperature gradient destroying gas-liquid interface velocities observed in VOF simulations, and correspondingly enabled more rapid simulation since interface advection was not allowed. The single phase computational domain also facilitated the ability to demonstrate spatial resolution convergence of natural convection cells within the liquid which significantly impacted the tank pressurization rate. This work was used to demonstrate the critical physics for tank self-pressurization and numerical methodologies that may be used to best resolve those physics. The findings informed development and operation of production level CFD tools used in the Fluid Dynamics Branch at NASA Marshall Space Flight Center.

J. M. Brodnick↗
NASA NTRS1990

A transient response analysis of the space shuttle vehicle during liftoff

A proposed transient response method is formulated for the liftoff analysis of the space shuttle vehicles. It uses a power series approximation with unknown coefficients for the interface forces between the space shuttle and mobile launch platform. This allows the equation of motion of the two structures to be solved separately with the unknown coefficients at the end of each step. These coefficients are obtained by enforcing the interface compatibility conditions between the two structures. Once the unknown coefficients are determined, the total response is computed for that time step. The method is validated by a numerical example of a cantilevered beam and by the liftoff analysis of the space shuttle vehicles. The proposed method is compared to an iterative transient response analysis method used by Martin Marietta for their space shuttle liftoff analysis. It is shown that the proposed method uses less computer time than the iterative method and does not require as small a time step for integration. The space shuttle vehicle model is reduced using two different types of component mode synthesis (CMS) methods, the Lanczos method and the Craig and Bampton CMS method. By varying the cutoff frequency in the Craig and Bampton method it was shown that the space shuttle interface loads can be computed with reasonable accuracy. Both the Lanczos CMS method and Craig and Bampton CMS method give similar results. A substantial amount of computer time is saved using the Lanczos CMS method over that of the Craig and Bampton method. However, when trying to compute a large number of Lanczos vectors, input/output computer time increased and increased the overall computer time. The application of several liftoff release mechanisms that can be adapted to the proposed method are discussed.

Brunty, J. A.↗