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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Review of the fundamental theories behind small angle X-ray scattering, molecular dynamics simulations, and relevant integrated application

In this paper, the fundamental concepts and equations necessary for performing small angle X-ray scattering (SAXS) experiments, molecular dynamics (MD) simulations, and MDSAXS analyses were reviewed. Furthermore, several key biological and non-biological applications for SAXS, MD, and MD-SAXS are presented in this review; however, this article does not cover all possible applications. SAXS is an experimental technique used for the analysis of a wide variety of biological and non-biological structures. SAXS utilizes spherical averaging to produce one- or two-dimensional intensity profiles, from which structural data may be extracted. MD simulation is a computer simulation technique that is used to model complex biological and non-biological systems at the atomic level. MD simulations apply classical Newtonian mechanics’ equations of motion to perform force calculations and to predict the theoretical physical properties of the system. This review presents several applications that highlight the ability of both SAXS and MD to study protein folding and function in addition to non-biological applications, such as the study of mechanical, electrical, and structural properties of non-biological nanoparticles. Lastly, the potential benefits of combining SAXS and MD simulations for the study of both biological and non-biological systems are demonstrated through the presentation of several examples that combine the two techniques.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2006

Integrated Modeling and Simulation Verification, Validation, and Accreditation Strategy for Exploration Systems Mission Directorate

Models and simulations (M&S) are critical resources in the exploration of space. They support program management, systems engineering, integration, analysis, test, and operations and provide critical information and data supporting key analyses and decisions (technical, cost and schedule). Consequently, there is a clear need to establish a solid understanding of M&S strengths and weaknesses, and the bounds within which they can credibly support decision-making. Their usage requires the implementation of a rigorous approach to verification, validation and accreditation (W&A) and establishment of formal process and practices associated with their application. To ensure decision-making is suitably supported by information (data, models, test beds) from activities (studies, exercises) from M&S applications that are understood and characterized, ESMD is establishing formal, tailored W&A processes and practices. In addition, to ensure the successful application of M&S within ESMD, a formal process for the certification of analysts that use M&S is being implemented. This presentation will highlight NASA's Exploration Systems Mission Directorate (ESMD) management approach for M&S W&A to ensure decision-makers receive timely information on the model's fidelity, credibility, and quality.

Hale, Joseph P.↗
NASA NTRS2003

Transient Simulation of the Integrated Powerhead Demonstrator (IPD) Rocket Engine

The IPD rocket engine is the product of a joint Air Force/NASA program to demonstrate the concept of a full-flow staged combustion power cycle. In this type of rocket engine cycle, both the entire fuel flow and the entire oxidizer flow are combusted in one of two pre-bumers and used to drive two turbopumps, thus utilizing the flow work of the total propellant flow. The basis of the IPD engine program relies on integrating newly developed and pre-existing hardware to demonstrate the component and material technologies to make this concept feasible, while simultaneously saving development time and costs. To provide insight to the project team and contractors during engine development and test phases, the engine system was modeled at MSFC using the Rocket Engine Transient Simulation (ROCETS) software to analyze system performance and determine component integration issues. The ROCETS software is used extensively a MSFC to perform steady-state power-balances and transient simulations of thermodynamic power and general fluid systems. The software is favored for its capability to solve large systems of non-linear equations, its librarie of fluid properties and flow devices, its flexibility to modify existing code to improve the physics-derived approximations of real fluid thermodynamic behavior, and the ability to add unique system constraints. The purpose of this paper is to present the methodology used to model the IPD engine system, detail the pitfalls encountered with the software, and explain the approximations made to more accurately represent engine component and fluid behavior. Engine system performance output from the model will be presented and explained in comparison with real fluid and component behavior.

Guidos, Mike↗
NASA NTRS2000

Integrated design and simulation for millimeter-wave antenna systems

In this paper the development and application of MODTool (Millimeter-wave Optics Design), a design tool that efficiently integrates existing millimeter-wave optics design software with a solid body modeler and thermal/structural analysis packages, will be discussed.

integrated software CAD physical optics reflector ↗
NASA NTRS2008

Interfacing Space Communications and Navigation Network Simulation with Distributed System Integration Laboratories (DSIL)

NASA's planned Lunar missions will involve multiple NASA centers where each participating center has a specific role and specialization. In this vision, the Constellation program (CxP)'s Distributed System Integration Laboratories (DSIL) architecture consist of multiple System Integration Labs (SILs), with simulators, emulators, testlabs and control centers interacting with each other over a broadband network to perform test and verification for mission scenarios. To support the end-to-end simulation and emulation effort of NASA' exploration initiatives, different NASA centers are interconnected to participate in distributed simulations. Currently, DSIL has interconnections among the following NASA centers: Johnson Space Center (JSC), Kennedy Space Center (KSC), Marshall Space Flight Center (MSFC) and Jet Propulsion Laboratory (JPL). Through interconnections and interactions among different NASA centers, critical resources and data can be shared, while independent simulations can be performed simultaneously at different NASA locations, to effectively utilize the simulation and emulation capabilities at each center. Furthermore, the development of DSIL can maximally leverage the existing project simulation and testing plans. In this work, we describe the specific role and development activities at JPL for Space Communications and Navigation Network (SCaN) simulator using the Multi-mission Advanced Communications Hybrid Environment for Test and Evaluation (MACHETE) tool to simulate communications effects among mission assets. Using MACHETE, different space network configurations among spacecrafts and ground systems of various parameter sets can be simulated. Data that is necessary for tracking, navigation, and guidance of spacecrafts such as Crew Exploration Vehicle (CEV), Crew Launch Vehicle (CLV), and Lunar Relay Satellite (LRS) and orbit calculation data are disseminated to different NASA centers and updated periodically using the High Level Architecture (HLA). In addition, the performance of DSIL under different traffic loads with different mix of data and priorities are evaluated.

Traffic Measuring and Monitoring↗
DOE OSTI2011

Strategies for Fault Tolerance in Multicomponent Applications

This paper discusses on-going work with the Integrated Plasma Simulator (IPS), a framework for coupled multiphysics simulations of plasmas, to allow simulations to run through the loss of nodes on which the simulation is executing. While many different techniques are available to improve the fault tolerance of computational science applications on high-performance computer systems, checkpoint/restart (C/R) remains virtually the only one that see widespread use in practice. Our focus here is to augment the traditional C/R approach with additional techniques that can provide a more localized and tailored response to faults based on the ability to restart failed tasks on an individual basis, and the use of information external to the application itself in order to guide decision-making, in many cases avoiding the need to stop and restart the entire simulation. This capability involves several features within the IPS framework, and leverages the Fault Tolerance Backplane, a publish/subscribe event service to disseminate fault-related information throughout HPC systems, to obtain information from the Reliability, Availability and Serviceability (RAS) subsystem of the HPC system. This work is described in the context of Cray XT-series computer systems for concreteness, but is applicable to other environments as well. As part of the analysis of this work, we discuss the requirements to generalize this approach to other complex simulation applications beyond the Integrated Plasma Simulator.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1992

Piloted evaluation of an integrated propulsion and flight control simulator

A piloted evaluation of the integrated flight and propulsion control simulator for advanced integrated propulsion and airframe control design is described. The evaluation will cover control effector gains and deadbands, control effectiveness and control authority, and heads up display functionality. For this evaluation the flight simulator is configured for transition flight using an advanced Short Take-Off and Vertical Landing fighter aircraft model, a simplified high-bypass turbofan engine model, fighter cockpit displays, and pilot effectors. The piloted tasks used for rating displays and control effector gains are described. Pilot comments and simulation results confirm that the display symbology and control gains are very adequate for the transition flight task. Additionally, it is demonstrated that this small-scale, fixed base flight simulator facility can adequately perform a real time, piloted control evaluation.

Bright, Michelle M.↗
NASA NTRS1974

G189A analytical simulation of the RITE Integrated Waste Management-Water System

This paper discusses the computer simulation of the Integrated Waste Management-Water System Using Radioisotopes for Thermal Energy (RITE) and applications of the simulation. Variations in the system temperature and flows due to particular operating conditions and variations in equipment heating loads imposed on the system were investigated with the computer program. The results were assessed from the standpoint of the computed dynamic characteristics of the system and the potential applications of the simulation to system development and vehicle integration.

Coggi, J. V.↗
DOE OSTI2017

Path integral Monte Carlo simulations of dense carbon-hydrogen plasmas

Carbon-hydrogen plasmas and hydrocarbon materials are of broad interest to laser shock experimentalists, high energy density physicists, and astrophysicists. Accurate equations of state (EOSs) of hydrocarbons are valuable for various studies from inertial confinement fusion to planetary science. By combining path integral Monte Carlo (PIMC) results at high temperatures and density functional theory molecular dynamics results at lower temperatures, we compute the EOSs for hydrocarbons from simulations performed at 1473 separate (ρ, T)-points distributed over a range of compositions. These methods accurately treat electronic excitation effects with neither adjustable parameter nor experimental input. PIMC is also an accurate simulation method that is capable of treating many-body interaction and nuclear quantum effects at finite temperatures. These methods therefore provide a benchmark-quality EOS that surpasses that of semi-empirical and Thomas-Fermi-based methods in the warm dense matter regime. By comparing our first-principles EOS to the LEOS 5112 model for CH, we validate the specific heat assumptions in this model but suggest that the Grüneisen parameter is too large at low temperatures. Based on our first-principles EOSs, we predict the principal Hugoniot curve of polystyrene to be 2%-5% softer at maximum shock compression than that predicted by orbital-free density functional theory and SESAME 7593. By investigating the atomic structure and chemical bonding of hydrocarbons, we show a drastic decrease in the lifetime of chemical bonds in the pressure interval from 0.4 to 4 megabar. We find the assumption of linear mixing to be valid for describing the EOS and the shock Hugoniot curve of hydrocarbons in the regime of partially ionized atomic liquids. We make predictions of the shock compression of glow-discharge polymers and investigate the effects of oxygen content and C:H ratio on its Hugoniot curve. In conclusion, our full suite of first-principles simulation results may be used to benchmark future theoretical investigations pertaining to hydrocarbon EOSs and should be helpful in guiding the design of future experiments on hydrocarbons in the gigabar regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Integrated EM & Thermal Simulations with Upgraded VORPAL Software

Nuclear physics accelerators are powered by microwaves which must travel in waveguides between room-temperature sources and the cryogenic accelerator structures. The ohmic heat load from the microwaves is affected by the temperature-dependent surface resistance and in turn affects the cryogenic thermal conduction problem. Integrated EM & thermal analysis of this difficult non-linear problem is now possible with the VORPAL finite-difference time-domain simulation tool. We highlight thermal benchmarking work with a complex HOM feed-through geometry, done in collaboration with researchers at the Thomas Jefferson National Accelerator Laboratory, and discuss upcoming design studies with this emerging tool. This work is part of an effort to generalize the VORPAL framework to include generalized PDE capabilities, for wider multi-physics capabilities in the accelerator, vacuum electronics, plasma processing and fusion R&D fields, and we will also discuss user interface and algorithmic upgrades which facilitate this emerging multiphysics capability.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

A novel adaptive time stepping variant of the Boris–Buneman integrator for the simulation of particle accelerators with space charge

We show that adaptive time stepping in particle accelerator simulation is an enhancement for certain problems. The new algorithm has been implemented in the OPAL (Object Oriented Parallel Accelerator Library) framework. The idea is to adjust the frequency of costly self-field calculations, which are needed to model Coulomb interaction (space charge) effects. In analogy to a Kepler orbit simulation that requires a higher time step resolution at the close encounter, we propose to choose the time step based on the magnitude of the space charge forces. Inspired by geometric integration techniques, our algorithm chooses the time step proportional to a function of the current phase space state instead of calculating a local error estimate like a conventional adaptive procedure. Building on recent work, a more profound argument is given on how exactly the time step should be chosen. An intermediate algorithm, initially built to allow a clearer analysis by introducing separate time steps for external field and self-field integration, turned out to be useful by its own, for a large class of problems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2007

An Overview of the Distributed Space Exploration Simulation (DSES) Project

This paper describes the Distributed Space Exploration Simulation (DSES) Project, a research and development collaboration between NASA centers which investigates technologies, and processes related to integrated, distributed simulation of complex space systems in support of NASA's Exploration Initiative. In particular, it describes the three major components of DSES: network infrastructure, software infrastructure and simulation development. With regard to network infrastructure, DSES is developing a Distributed Simulation Network for use by all NASA centers. With regard to software, DSES is developing software models, tools and procedures that streamline distributed simulation development and provide an interoperable infrastructure for agency-wide integrated simulation. Finally, with regard to simulation development, DSES is developing an integrated end-to-end simulation capability to support NASA development of new exploration spacecraft and missions. This paper presents the current status and plans for these three areas, including examples of specific simulations.

Crues, Edwin Z.↗
NASA NTRS2006

Crew Launch Vehicle (CLV) Avionics and Software Integration Overview

On January 14, 2004, the President of the United States announced a new plan to explore space and extend a human presence across our solar system. The National Aeronautics and Space Administration (NASA) established the Exploration Systems Mission Directorate (ESMD) to develop and field a Constellation Architecture that will bring the Space Exploration vision to fruition. The Constellation Architecture includes a human-rated Crew Launch Vehicle (CLV) segment, managed by the Marshall Space Flight Center (MSFC), comprised of the First Stage (FS), Upper Stage (US), and Upper Stage Engine (USE) elements. The CLV s purpose is to provide safe and reliable crew and cargo transportation into Low Earth Orbit (LEO), as well as insertion into trans-lunar trajectories. The architecture's Spacecraft segment includes, among other elements, the Crew Exploration Vehicle (CEV), managed by the Johnson Space Flight Center (JSC), which is launched atop the CLV. MSFC is also responsible for CLV and CEV stack integration. This paper provides an overview of the Avionics and Software integration approach (which includes the Integrated System Health Management (ISHM) functions), both within the CLV, and across the CEV interface; it addresses the requirements to be met, logistics of meeting those requirements, and the roles of the various groups. The Avionics Integration and Vehicle Systems Test (ANST) Office was established at the MSFC with system engineering responsibilities for defining and developing the integrated CLV Avionics and Software system. The AIVST Office has defined two Groups, the Avionics and Software Integration Group (AVSIG), and the Integrated System Simulation and Test Integration Group (ISSTIG), and four Panels which will direct trade studies and analyses to ensure the CLV avionics and software meet CLV system and CEV interface requirements. The four panels are: 1) Avionics Integration Panel (AIP), 2) Software Integration Panel, 3) EEE Panel, and 4) Systems Simulation and Test Panel. Membership on the groups and panels includes the MSFC representatives from the requisite engineering disciplines, the First Stage, the Upper Stage, the Upper Stage Engine projects, and key personnel from other NASA centers. The four panels will take the results of trade studies and analyses and develop documentation in support of Design Analysis Cycle Reviews and ultimately the System Requirements Review.

Monell, Donald W.↗
DOE OSTI2017

Integrating Ab Initio Simulations and X-ray Photoelectron Spectroscopy: Toward A Realistic Description of Oxidized Solid/Liquid Interfaces

Many energy storage and conversion devices rely on processes that take place at complex interfaces, where structural and chemical properties are often difficult to probe under operating conditions. A primary example is solar water splitting using high-performance photoelectrochemical cells, where surface chemistry, including native oxide formation, affects hydrogen generation. In this Perspective, we discuss some of the challenges associated with interrogating interface chemistry, and how they may be overcome by integrating high-level first-principles calculations of explicit interfaces with ambient pressure X-ray photoelectron spectroscopy and direct spectroscopic simulations. We illustrate the benefit of this combined approach toward insights into native oxide chemistry at prototypical InP/water and GaP/water interfaces. Lastly, this example suggests a more general roadmap for obtaining a realistic and reliable description of the chemistry of complex interfaces by combining state-of-the-art computational and experimental techniques.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Enhancements, Verification, and VMS Integration of VTOL Concept Vehicle Simulation Models

Advanced Rotorcraft Technology (ART) and the NASA Ames Aeromechanics branch have jointly developed FLIGHTLAB simulation models for Advanced Air Mobility (AAM) VTOL concept vehicles. The overarching purpose of the simulation model development is to establish a set of well defined reference vehicles for FLIGHTLAB users and the rotorcraft community. The ongoing research effort and enhancement of these AAM simulation models to fulfill the role of quality reference vehicles is this paper’s focus. The content of this paper expands on the established characteristics of these AAM models in three primary areas. First, enhancement of the lift+cruise and tiltwing models with elastic airframe properties is discussed. The process of setting up the elastic airframe model in FLIGHTLAB, as well as the impacts on flight characteristics are explained. The introduction of the elastic airframe modeling allows these models to be used in flight dynamics, loads, and vibration analysis of the configuration designs. Next, linear model generation from the enhanced simulation model is covered. Confirming the validity of the linearized models is of importance, as these linear models are utilized for flight control design and tuning for these experimental configurations. For the final focus, the progress towards implementation of these models into the NASA Ames Vertical Motion Simulator (VMS) is described. This task seeks to demonstrate the procedures of integrating a FLIGHTLAB flight simulation in the VMS environment, test fully integrated simulation with communication between flight dynamics, control, and propulsion models, and explore the essential aspects of simulation model integration in a full flight simulator environment. This includes I/O definition, initialization, trim, flying, etc. By expanding the capabilities of the AAM simulation models, they continue to develop as valuable and approachable modeling references.

VMS↗