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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 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

Quantification of Energy Release in Composite Structures

Energy release rate is usually suggested as a quantifier for assessing structural damage tolerance. Computational prediction of energy release rate is based on composite mechanics with micro-stress level damage assessment, finite element structural analysis and damage progression tracking modules. This report examines several issues associated with energy release rates in composite structures as follows: Chapter I demonstrates computational simulation of an adhesively bonded composite joint and validates the computed energy release rates by comparison with acoustic emission signals in the overall sense. Chapter II investigates the effect of crack plane orientation with respect to fiber direction on the energy release rates. Chapter III quantifies the effects of contiguous constraint plies on the residual stiffness of a 90 ply subjected to transverse tensile fractures. Chapter IV compares ICAN and ICAN/JAVA solutions of composites. Chapter V examines the effects of composite structural geometry and boundary conditions on damage progression characteristics.

Minnetyan, Levon↗
NASA NTRS2008

Progressive Fracture of Composite Structures

A new approach is described for evaluating fracture in composite structures. This approach is independent of classical fracture mechanics parameters like fracture toughness. It relies on computational simulation and is programmed in a stand-alone integrated computer code. It is multiscale, multifunctional because it includes composite mechanics for the composite behavior and finite element analysis for predicting the structural response. It contains seven modules; layered composite mechanics (micro, macro, laminate), finite element, updating scheme, local fracture, global fracture, stress based failure modes, and fracture progression. The computer code is called CODSTRAN (Composite Durability Structural ANalysis). It is used in the present paper to evaluate the global fracture of four composite shell problems and one composite built-up structure. Results show that the composite shells and the built-up composite structure global fracture are enhanced when internal pressure is combined with shear loads.

Chamis, Christos C.↗
NASA NTRS2007

Statistical Model of Evaporating Multicomponent Fuel Drops

An improved statistical model has been developed to describe the chemical composition of an evaporating multicomponent- liquid drop and of the mixture of gases surrounding the drop. The model is intended for use in computational simulations of the evaporation and combustion of sprayed liquid fuels, which are typically mixtures of as many as hundreds of different hydrocarbon compounds. The present statistical model is an approximation designed to afford results that are accurate enough to contribute to understanding of the simulated physical and chemical phenomena, without imposing an unduly large computational burden.

Harstad, Kenneth↗
NASA NTRS2012

Multiscale Multifunctional Progressive Fracture of Composite Structures

A new approach is described for evaluating fracture in composite structures. This approach is independent of classical fracture mechanics parameters like fracture toughness. It relies on computational simulation and is programmed in a stand-alone integrated computer code. It is multiscale, multifunctional because it includes composite mechanics for the composite behavior and finite element analysis for predicting the structural response. It contains seven modules; layered composite mechanics (micro, macro, laminate), finite element, updating scheme, local fracture, global fracture, stress based failure modes, and fracture progression. The computer code is called CODSTRAN (Composite Durability Structural ANalysis). It is used in the present paper to evaluate the global fracture of four composite shell problems and one composite built-up structure. Results show that the composite shells. Global fracture is enhanced when internal pressure is combined with shear loads. The old reference denotes that nothing has been added to this comprehensive report since then.

Chamis, C. C.↗
DOE OSTI2021

Simulations of future particle accelerators: issues and mitigations

The ever increasing demands placed upon machine performance have resulted in the need for more comprehensive particle accelerator modeling. Computer simulations are key to the success of particle accelerators. Many aspects of particle accelerators rely on computer modeling at some point, sometimes requiring complex simulation tools and massively parallel supercomputing. Examples include the modeling of beams at extreme intensities and densities (toward the quantum degeneracy limit), and with ultra-fine control (down to the level of individual particles). In the future, adaptively tuned models might also be relied upon to provide beam measurements beyond the resolution of existing diagnostics. Much time and effort has been put into creating accelerator software tools, some of which are highly successful. However, there are also shortcomings such as the general inability of existing software to be easily modified to meet changing simulation needs. In this paper possible mitigating strategies are discussed for issues faced by the accelerator community as it endeavors to produce better and more comprehensive modeling tools. This includes lack of coordination between code developers, lack of standards to make codes portable and/or reusable, lack of documentation, among others.

43 PARTICLE ACCELERATORS↗
NASA NTRS1994

A heterogeneous computing environment for simulating astrophysical fluid flows

In the Concurrent Computing Laboratory in the Department of Physics and Astronomy at Louisiana State University we have constructed a heterogeneous computing environment that permits us to routinely simulate complicated three-dimensional fluid flows and to readily visualize the results of each simulation via three-dimensional animation sequences. An 8192-node MasPar MP-1 computer with 0.5 GBytes of RAM provides 250 MFlops of execution speed for our fluid flow simulations. Utilizing the parallel virtual machine (PVM) language, at periodic intervals data is automatically transferred from the MP-1 to a cluster of workstations where individual three-dimensional images are rendered for inclusion in a single animation sequence. Work is underway to replace executions on the MP-1 with simulations performed on the 512-node CM-5 at NCSA and to simultaneously gain access to more potent volume rendering workstations.

Cazes, J.↗
NASA NTRS1993

Probabilistic simulation of concurrent engineering of propulsion systems

Technology readiness and the available infrastructure is assessed for timely computational simulation of concurrent engineering for propulsion systems. Results for initial coupled multidisciplinary, fabrication-process, and system simulators are presented including uncertainties inherent in various facets of engineering processes. An approach is outlined for computationally formalizing the concurrent engineering process from cradle-to-grave via discipline dedicated workstations linked with a common database.

Chamis, C. C.↗
NASA NTRS2002

Airport Simulations Using Distributed Computational Resources

The Virtual National Airspace Simulation (VNAS) will improve the safety of Air Transportation. In 2001, using simulation and information management software running over a distributed network of super-computers, researchers at NASA Ames, Glenn, and Langley Research Centers developed a working prototype of a virtual airspace. This VNAS prototype modeled daily operations of the Atlanta airport by integrating measured operational data and simulation data on up to 2,000 flights a day. The concepts and architecture developed by NASA for this prototype are integral to the National Airspace Simulation to support the development of strategies improving aviation safety, identifying precursors to component failure.

McDermott, William J.↗
NASA NTRS1994

Integrating O/S models during conceptual design, part 3

Space vehicles, such as the Space Shuttle, require intensive ground support prior to, during, and after each mission. Maintenance is a significant part of that ground support. All space vehicles require scheduled maintenance to ensure operability and performance. In addition, components of any vehicle are not one-hundred percent reliable so they exhibit random failures. Once detected, a failure initiates unscheduled maintenance on the vehicle. Maintenance decreases the number of missions which can be completed by keeping vehicles out of service so that the time between the completion of one mission and the start of the next is increased. Maintenance also requires resources such as people, facilities, tooling, and spare parts. Assessing the mission capability and resource requirements of any new space vehicle, in addition to performance specification, is necessary to predict the life cycle cost and success of the vehicle. Maintenance and logistics support has been modeled by computer simulation to estimate mission capability and resource requirements for evaluation of proposed space vehicles. The simulation was written with Simulation Language for Alternative Modeling II (SLAM II) for execution on a personal computer. For either one or a fleet of space vehicles, the model simulates the preflight maintenance checks, the mission and return to earth, and the post flight maintenance in preparation to be sent back into space. THe model enables prediction of the number of missions possible and vehicle turn-time (the time between completion of one mission and the start of the next) given estimated values for component reliability and maintainability. The model also facilitates study of the manpower and vehicle requirements for the proposed vehicle to meet its desired mission rate. This is the 3rd part of a 3 part technical report.

Ebeling, Charles E.↗
NASA NTRSDate not supplied

Analysis of Probe Surveys Conducted in the 10-MW TP3 Arc-Jet Facility 15-Inch Nozzle Flow

Computational simulations and analysis of flow characterization tests in a high enthalpy arc-jet facility at NASA Ames Research Center are reported. These tests were conducted in the 10-MW TP3 facility 15-inch conical nozzle, and pitot pressure and heat flux probes are used to survey test flow downstream of the nozzle exit. Two 1.59-cm (0.625 in) diameter hemisphere probes were used: one with a stagnation-point pressure port, the other with a Gardon heat flux gage. Calibration data were also obtained using 20.32-cm flat-faced slug calorimeters. Experimental surveys of arc-jet test flow with pitot pressure and heat flux probes were obtained at eight arc-heater conditions, covering wide ranges in arc current (316–1756 A) and mass flow rate (32–500 g/s, without any cold-gas injection at the arc-heater plenum) and providing assessment of the flow uniformity in the facility. The present analysis comprises computational fluid dynamics simulations of the nonequilibrium flowfield in the facility nozzle and test box, including the models tested. These simulations take into account non-uniform total enthalpy and mass flux profiles at the nozzle inlet as well as the expansion waves emanating from the nozzle exit and their effects on the model flowfields. Comparisons of computations with the experimental measurements are presented, showing reasonably good agreement. The probe survey data and accompanying analysis show that the test flow in the TP3 15-inch nozzle is highly non-uniform at most conditions, and the extent of flow non-uniformity depends on arc current and mass flow rate.

Arc-jets↗
DOE OSTI2015

Utilization of GIS technology to support development of flow and contaminant fate and transport models at US DOE sites - 15457

U.S. Department of Energy (DOE) sites have accumulated years of data and millions of spatial and temporal records related to the hydrological cycle, contaminant transport, and parameters of remediation technologies. In addition, numerical models which use field monitoring data to help understand flow and transport produce gigabytes of computed spatial and temporal data for each computation node. There is a need therefore for an advanced spatial data structure that can be used to address the management, processing, and analysis of spatial and temporal numerical modeling data derived from multiple sources. This can be accomplished using a geo-database. The development of an ArcSDE geo-database facilitates the centralized storage, backup, accessibility, organization, and management of model configuration and computed simulation data, putting it into a structured, coherent, and logical computer-supported system. GIS data processing and automation would enable faster and hence more complex analyses of field test data. The Applied Research Center (ARC) at Florida International University (FIU) has provided analysis of flow and transport for several watersheds at DOE's Oak Ridge Reservation (ORR), including East Fork Poplar Creek (EFPC), Upper EFPC in the Y-12 National Security Complex area (Y-12 NSC) and White Oak Creek (WOC). Integrated surface and subsurface flow, fate and transport models were developed to provide analysis of contaminant patterns within each watershed. In addition, digital monitoring data available from the Oak Ridge Environmental Information System (OREIS) related to mercury (Hg) contamination and remediation within these watersheds was used for calibration and verification of the model. Experimental studies were also carried out which provided kinetic and equilibrium data about important parameters related to Hg transport, speciation and methylation/demethylation kinetics within the watershed. Geographic Information Systems (GIS) technology was employed to support the modeling work through storage and geo-processing of spatial and temporal data required by the models and to produce hydrogeological maps for visualization. An ArcGIS geo-database was developed for centralized storage and management of experimental and computed model data and its capabilities were extended over the years using tools such as ModelBuilder combined with Python scripting to automate repetitive tasks, perform statistical analyses and generate maps and reports. The hydrologic geo-database model developed possesses a structure that enables linkage with scalable hydrologic modeling tools/applications to model hydrologic systems, and in this case, enables the testing of the potential impacts of various remediation scenarios on the ORR watersheds. The ArcSDE geo-database can also be used to automate and simplify the process of calling stored GIS and time series data. This geo-database can serve as a tool for contaminant flow and transport analyses which require large amounts of high-quality spatial and temporal data in order to ensure reliability and validity of modeling results. The existing geo-database structure developed for the hydrological modeling at ORR was designed to be replicable for application at other DOE sites. An investigation of downloadable free/open source GIS software along with required security protocols to facilitate online querying of the database was also conducted to determine methods by which project-derived data can be more easily shared with other project stakeholders such as DOE personnel and site contractors. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRSDate not supplied

Analysis of Probe Surveys Conducted in the 10-MW TP3 Arc-Jet Facility 15-Inch Nozzle Flow

Computational simulations and analysis of flow characterization tests in a high enthalpy arc-jet facility at NASA Ames Research Center are reported. These tests were conducted in the 10-MW TP3 facility 15-inch conical nozzle, and pitot pressure and heat flux probes are used to survey test flow downstream of the nozzle exit. Two 1.59-cm (0.625 in) diameter hemisphere probes were used: one with a stagnation-point pressure port, the other with a Gardon heat flux gage. Calibration data were also obtained using 10.16-cm iso-q and 20.32-cm flat-faced slug calorimeters. Experimental surveys of arc-jet test flow with pitot pressure and heat flux probes were obtained at eight arc-heater conditions, covering wide ranges in arc current (316–1756 A) and mass flow rate (32–500 g/s, without any cold-gas injection at the arc-heater plenum) and providing assessment of the flow uniformity in the facility. The present analysis comprises computational fluid dynamics simulations of the nonequilibrium flowfield in the facility nozzle and test box, including the models tested. These simulations take into account non-uniform total enthalpy and mass flux profiles at the nozzle inlet as well as the expansion waves emanating from the nozzle exit and their effects on the model flowfields. Comparisons of computations with the experimental measurements are presented, showing reasonably good agreement. The probe survey data and accompanying analysis show that the test flow in the TP3 15-inch nozzle is highly non-uniform at most conditions, and the extent of flow non-uniformity depends on arc current and mass flow rate.

Arc-jets↗
NASA NTRS2006

Forecasting of Storm-Surge Floods Using ADCIRC and Optimized DEMs

Increasing the accuracy of storm-surge flood forecasts is essential for improving preparedness for hurricanes and other severe storms and, in particular, for optimizing evacuation scenarios. An interactive database, developed by WorldWinds, Inc., contains atlases of storm-surge flood levels for the Louisiana/Mississippi gulf coast region. These atlases were developed to improve forecasting of flooding along the coastline and estuaries and in adjacent inland areas. Storm-surge heights depend on a complex interaction of several factors, including: storm size, central minimum pressure, forward speed of motion, bottom topography near the point of landfall, astronomical tides, and, most importantly, maximum wind speed. The information in the atlases was generated in over 100 computational simulations, partly by use of a parallel-processing version of the ADvanced CIRCulation (ADCIRC) model. ADCIRC is a nonlinear computational model of hydrodynamics, developed by the U.S. Army Corps of Engineers and the US Navy, as a family of two- and three-dimensional finite-element-based codes. It affords a capability for simulating tidal circulation and storm-surge propagation over very large computational domains, while simultaneously providing high-resolution output in areas of complex shoreline and bathymetry. The ADCIRC finite-element grid for this project covered the Gulf of Mexico and contiguous basins, extending into the deep Atlantic Ocean with progressively higher resolution approaching the study area. The advantage of using ADCIRC over other storm-surge models, such as SLOSH, is that input conditions can include all or part of wind stress, tides, wave stress, and river discharge, which serve to make the model output more accurate. To keep the computational load manageable, this work was conducted using only the wind stress, calculated by using historical data from Hurricane Camille, as the input condition for the model. Hurricane storm-surge simulations were performed on an eight-node Linux computer cluster. Each node contained dual 2-GHz processors, 2GB of memory, and a 40GB hard drive. The digital elevation model (DEM) for this region was specified using a combination of Navy data (over water), NOAA data (for the coastline), and optimized Interferometric Synthetic Aperture Radar data (over land). This high-resolution topographical data of the Mississippi coastal region provided the ADCIRC model with improved input with which to calculate improved storm-surge forecasts.

Valenti, Elizabeth↗
NASA NTRS2013

Creating and Testing Simulation Software

The goal of this project is to learn about the software development process, specifically the process to test and fix components of the software. The paper will cover the techniques of testing code, and the benefits of using one style of testing over another. It will also discuss the overall software design and development lifecycle, and how code testing plays an integral role in it. Coding is notorious for always needing to be debugged due to coding errors or faulty program design. Writing tests either before or during program creation that cover all aspects of the code provide a relatively easy way to locate and fix errors, which will in turn decrease the necessity to fix a program after it is released for common use. The backdrop for this paper is the Spaceport Command and Control System (SCCS) Simulation Computer Software Configuration Item (CSCI), a project whose goal is to simulate a launch using simulated models of the ground systems and the connections between them and the control room. The simulations will be used for training and to ensure that all possible outcomes and complications are prepared for before the actual launch day. The code being tested is the Programmable Logic Controller Interface (PLCIF) code, the component responsible for transferring the information from the models to the model Programmable Logic Controllers (PLCs), basic computers that are used for very simple tasks.

Heinich, Christina M.↗
DOE OSTI2022

FINETUNA: fine-tuning accelerated molecular simulations

Abstract Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomistic systems. However, simulation techniques based on first principles, such as density functional theory (DFT), are limited in their practical use due to their high computational expense. Machine learning approaches have the potential to approximate DFT in a computationally efficient manner, which could dramatically increase the impact of computational simulations on real-world problems. However, they are limited by their accuracy and the cost of generating labeled data. Here, we present an online active learning framework for accelerating the simulation of atomic systems efficiently and accurately by incorporating prior physical information learned by large-scale pre-trained graph neural network models from the Open Catalyst Project. Accelerating these simulations enables useful data to be generated more cheaply, allowing better models to be trained and more atomistic systems to be screened. We also present a method of comparing local optimization techniques on the basis of both their speed and accuracy. Experiments on 30 benchmark adsorbate-catalyst systems show that our method of transfer learning to incorporate prior information from pre-trained models accelerates simulations by reducing the number of DFT calculations by 91%, while meeting an accuracy threshold of 0.02 eV 93% of the time. Finally, we demonstrate a technique for leveraging the interactive functionality built in to Vienna ab initio Simulation Package (VASP) to efficiently compute single point calculations within our online active learning framework without the significant startup costs. This allows VASP to work in tandem with our framework while requiring 75% fewer self-consistent cycles than conventional single point calculations. The online active learning implementation, and examples using the VASP interactive code, are available in the open source FINETUNA package on Github.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Insights into the Properties of MXenes and MXene Analogs from Atomistic Simulation

We review the properties that have been predicted for MXenes and MXene analogs from computational simulation with a focus on structural and electronic properties, energy storage, and ion transport. Methods considered range from quantum mechanical approaches to classical molecular dynamics. We conclude by reviewing current limitations and outstanding questions for simulation and MXene properties that have been little explored to-date.

Muraleedharan, Murali Gopal↗
DOE OSTI2015

Structure of overheated metal clusters: MD simulation study

The structure of overheated metal clusters appeared in condensation process was studied by computer simulation techniques. It was found that clusters with size larger than several tens of atoms have three layers: core part, intermediate dense packing layer and a gas- like shell with low density. The change of the size and structure of these layers with the variation of internal energy and the size of cluster is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1974

Cardiovascular model for the simulation of exercise, lower body negative pressure, and tilt experiments

A mathematical model and digital computer simulation of the human cardiovascular system and its controls have been developed to simulate pulsatile dynamic responses to the cardiovascular experiments of the Skylab missions and to selected physiological stresses of manned space flight. Specific model simulations of the bicycle ergometry, lower body negative pressure, and tilt experiments have been developed and verified for 1-g response by comparison with available experimental data. The zero-g simulations of two Skylab experiments are discussed.

Croston, R. C.↗