The Engineering Common Model Framework (ECMF) Project: Towards Scalable and Secure Cyberinfrastructure for Computational Model Sustainment
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Brundage, Aaron↗
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Results for “COMPUTER MODELING”
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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Computer modeling of the neurotoxin binding site of acetylcholine receptor spanning residues 185 through 196
A model of the complex between the acetylcholine receptor and the snake neurotoxin, cobratoxin, was built by molecular model building and energy optimization techniques. The experimentally identified functionally important residues of cobratoxin and the dodecapeptide corresponding to the residues 185-196 of acetylcholine receptor alpha subunit were used to build the model. Both cis and trans conformers of cyclic L-cystine portion of the dodecapeptide were examined. Binding residues independently identified on cobratoxin are shown to interact with the dodecapeptide AChR model.
NASA Discipline Exobiology↗
SST-GPU: An Execution -Driven CUDA Kernel Scheduler and Streaming-Multiprocessor Compute Model
Programmable accelerators have become commonplace in modern computing systems. Advances in programming models and the availability of massive amounts of data have created a space for massively parallel acceleration where the context for thousands of concurrent threads are resident on-chip. These threads are grouped and interleaved on a cycle-by-cycle basis among several massively parallel computing cores. The design of future supercomputers relies on an ability to model the performance of these massively parallel cores at scale. To address the need for a scalable, decentralized GPU model that can model large GPUs, chiplet-based GPUs and multi-node GPUs, this report details the first steps in integrating the open-source, execution driven GPGPU-Sim into the SST framework. The first stage of this project, creates two elements: a kernel scheduler SST element accepts work from SST CPU models and schedules it to an SM-collection element that performs cycle-by-cycle timing using SSTs Mem Hierarchy to model a flexible memory system.
97 MATHEMATICS AND COMPUTING↗
A Computer Model for Volcano Hazards Visualization
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Computer Model Volcano Hazards Visualization JPL D↗
Interactive computer modeling of combustion chemistry and coalescence-dispersion modeling of turbulent combustion
An interactive computer code for simulation of a high-intensity turbulent combustor as a single point inhomogeneous stirred reactor was developed from an existing batch processing computer code CDPSR. The interactive CDPSR code was used as a guide for interpretation and direction of DOE-sponsored companion experiments utilizing Xenon tracer with optical laser diagnostic techniques to experimentally determine the appropriate mixing frequency, and for validation of CDPSR as a mixing-chemistry model for a laboratory jet-stirred reactor. The coalescence-dispersion model for finite rate mixing was incorporated into an existing interactive code AVCO-MARK I, to enable simulation of a combustor as a modular array of stirred flow and plug flow elements, each having a prescribed finite mixing frequency, or axial distribution of mixing frequency, as appropriate. Further increase the speed and reliability of the batch kinetics integrator code CREKID was increased by rewriting in vectorized form for execution on a vector or parallel processor, and by incorporating numerical techniques which enhance execution speed by permitting specification of a very low accuracy tolerance.
Pratt, D. T.↗
Neurobiological computational models in structural analysis and design
This paper examines the role of neural computing strategies in structural analysis and design. A principal focus of the work resides in the use of neural networks to represent the force-displacement relationship in static structural analysis. Such models provide computationally efficient capabilities for reanalysis, and appear to be well suited for application in numerical optimum design. The paper presents an overview of the neutral computing approach, with special emphasis on supervised learning techniques adopted in the present work. Special features of such learning strategies which have a direct bearing on numerically accuracy and efficiency, are examined in the context of representative structural optimization problems.
Hajela, P.↗
Cost-Effective Parallel Computational Modeling
This paper discusses the use of Boewulf-class computers in solving computational electromagnetic problems. Boewulf-class computers are defined as piles of PCs running LINUX, using fully mass-market, commercial, off-the-shelf (M2COTS) components.
Cost Parallel Computation Electromagnetic Modeling↗
Computational Modeling for the Flow Over a Multi-Element Airfoil
The flow over a multi-element airfoil is computed using two two-equation turbulence models. The computations are performed using the INS2D) Navier-Stokes code for two angles of attack. Overset grids are used for the three-element airfoil. The computed results are compared with experimental data for the surface pressure, skin friction coefficient, and velocity magnitude. The computed surface quantities generally agree well with the measurement. The computed results reveal the possible existence of a mixing-layer-like region of flow next to the suction surface of the slat for both angles of attack.
Liou, William W.↗
Neurobiological computational models in structural analysis and design
The present paper examines the role of neural computing strategies in structural analysis and design. A principal focus of the work resides in the use of neural networks to represent the force-displacement relationship in static structural analysis. Such models provide computationally efficient capabilities for reanalysis, and appear to be well suited for application in numerical optimum design. The paper presents an overview of the neural computing approach, with special emphasis on supervised learning techniques adopted in the present work. Special features of such learning strategies which have a direct bearing on numerical accuracy and efficiency, are examined in the context of representative structural optimization problems.
Hajela, P.↗
Computational models of direct and indirect X‐ray breast imaging detectors for in silico trials
Abstract Background To facilitate in silico studies that investigate digital mammography (DM) and breast tomosynthesis (DBT), models replicating the variety in imaging performance of the DM and DBT systems, observed across manufacturers are needed. Purpose The main purpose of this work is to develop generic physics models for direct and indirect detector technology used in commercially available systems, with the goal of making them available open source to manufacturers to further tweak and develop the exact in silico replicas of their systems. Methods We recently reported on an in silico version of the SIEMENS Mammomat Inspiration DM/DBT system using an open‐source GPU‐accelerated Monte Carlo x‐ray imaging simulation code (MC‐GPU). We build on the previous version of the MC‐GPU codes to mimic the imaging performances of two other Food and Drug Administration (FDA)‐approved DM/DBT systems, such as Hologic Selenia Dimensions (HSD) and the General Electric Senographe Pristina (GSP) systems. In this work, we developed a hybrid technique to model the optical spread and signal crosstalk observed in the GSP and HSD systems. MC simulations are used to track each x‐ray photon till its first interaction within the x‐ray detector. On the other hand, the signal spread in the x‐ray detectors is modeled using previously developed analytical equations. This approach allows us to preserve the modeling accuracy offered by MC methods in the patient body, while speeding up secondary carrier transport (either electron–hole pairs or optical photons) using analytical equations in the detector. The analytical optical spread model for the indirect detector includes the depth‐dependent spread and collection of optical photons and relies on a pre‐computed set of point response functions that describe the optical spread as a function of depth. To understand the capabilities of the computational x‐ray detector models, we compared image quality metrics like modulation transfer function (MTF), normalized noise power spectrum (NNPS), and detective quantum efficiency (DQE), simulated with our models against measured data. Please note that the purpose of these comparisons with measured data would be to gauge if the model developed as part of this work could replicate commercially used direct and indirect technology in general and not to achieve perfect fits with measured data. Results We found that the simulated image quality metrics such as MTF, NNPS, and DQE were in reasonable agreement with experimental data. To demonstrate the imaging performance of the three DM/DBT systems, we integrated the detector models with the VICTRE pipeline and simulated DM images of a fatty breast model containing a spiculated mass and a calcium oxalate cluster. In general, we found that the images generated using the indirect model appeared more blurred with a different noise texture and contrast as compared to the systems with direct detectors. Conclusions We have presented computational models of three commercially available FDA‐approved DM/DBT systems, which implement both direct and indirect detector technology. The updated versions of the MC‐GPU codes that can be used to replicate three systems are available in open source format through GitHub.
Sengupta, Aunnasha↗
Three-dimensional computer model for the atmospheric general circulation experiment
An efficient, flexible, three-dimensional, hydrodynamic, computer code has been developed for a spherical cap geometry. The code will be used to simulate NASA's Atmospheric General Circulation Experiment (AGCE). The AGCE is a spherical, baroclinic experiment which will model the large-scale dynamics of our atmosphere; it has been proposed to NASA for future Spacelab flights. In the AGCE a radial dielectric body force will simulate gravity, with hot fluid tending to move outwards. In order that this force be dominant, the AGCE must be operated in a low gravity environment such as Spacelab. The full potential of the AGCE will only be realized by working in conjunction with an accurate computer model. Proposed experimental parameter settings will be checked first using model runs. Then actual experimental results will be compared with the model predictions. This interaction between experiment and theory will be very valuable in determining the nature of the AGCE flows and hence their relationship to analytical theories and actual atmospheric dynamics.
Roberts, G. O.↗
Computer models of the spacecraft wake
Until recently, computations of space plasma flow over a spacecraft have been unstable for ratios of spacecraft dimension to Debye length typical of the low Earth orbit environment. Calculations are presented of the spacecraft/environment interaction based on two computer codes, MACH and POLAR. MACH, an inside-out particle tracking code, was developed for the purpose of validating the physics of POLAR in regimes where these are no comprehensive theoretical or experimental results. While the spacecraft which can be treated by MACH are restricted to simple geometries, the methodology is more fundamental than POLAR. MACH generates self-consistent solutions within the context of quasisteady Vlasov plasma flow and achieves Debye ratios previously unobtainable. POLAR uses a three-dimensional finite-element representation of the vehicle in a staggered mesh. The plasma sheath is modeled by outside-in particle tracking. Solutions for the plasma flow, wake and vehicle charging are obtained by Vlasov-Poisson iteration; charge stabilization techniques make the results virtually insensitive to the Debye ratio. POLAR reproduces the Laframboise static plasma solutions for sperical probes and fits the Makita-Kuriki probe data for spheres in a flowing plasma in regions where comparisons are valid. POLAR and MACH solutions for the particle and electrostatic potential structure of the wake of a charged disk in a low-altitude flow are shown for Mach numbers 4, 5, and 8. New features of the solutions include ion focussing in the wake and a definitive determination of the sheath edge in the wake which shows that the sheath is not an equipotential.
Rubin, A. G.↗
Computational Modeling of Magnetically Actuated Propellant Orientation
Unlike terrestrial applications where gravity positions liquid at the "bottom" of the tank, the location of liquid propellant in spacecraft tanks is uncertain unless specific actions are taken or special features are built into the tank. Some mission events require knowledge of liquid position prior to a particular action: liquid must be positioned over the tank outlet prior to starting the main engines and must be moved away from the tank vent before vapor can be released overboard to reduce pressure. It may also be desirable to positively position liquid to improve propulsion system performance: moving liquid away from the tank walls will dramatically decrease the rate of heat transfer to the propellant, suppressing the boil-off rate, thereby reducing overall mission propellant requirements. The process of moving propellant to a desired position is referred to as propellant orientation or reorientation. Propulsive reorientation relies on small auxiliary thrusters to accelerate the tank. The inertia of the liquid causes it to collect in the aft-end of the tank if the acceleration is forward. Liquid Acquisition Devices (LAD's) rely on surface tension to hold the liquid within special geometries, (i.e. vanes, wire-mesh channels, start-baskets), to positively position propellants. Both of these technologies add significant weight and complexity to the spacecraft and can be limiting systems for long duration missions. The subject of the present research is an alternate technique for positively positioning liquid within spacecraft propellant tanks: magnetic fields. LOX is paramagnetic (attracted toward a magnet) and LH2 is diamagnetic (repelled from a magnet). Order-of-magnitude analyses, performed in the 1960's to determine required magnet size, concluded that the magnets would be prohibitively massive and this option has remained dormant during the intervening years. Recent advances in high-temperature superconducting materials hold the promise of electromagnets with sufficient performance to support cryogenic propellant management tasks. In late 1992, NASA MSFC began a new investigation in this technology commencing with the design of the Magnetically-Actuated Propellant Orientation (MAPO) experiment. A mixture of ferrofluid and water is used to simulate the paramagnetic properties of LOX and the experiment is being flown on the KC-135 aircraft to provide a reduced gravity environment. The influence of a 0.4 Tesla ring magnet on flow into and out of a subscale Plexiglas tank is being recorded on video tape. The most efficient approach to evaluating the feasibility of MAPO is to compliment the experimental program with development of a computational tool to model the process of interest. The goal of the present research is to develop such a tool. Once confidence in its fidelity is established by comparison to data from the MAPO experiment, it can be used to assist in the design of future experiments and to study the parameter space of the process. Ultimately, it is hoped that the computational model can serve as a design tool for full-scale spacecraft applications.
Hochstein, John I.↗
Initial comparison of single cylinder Stirling engine computer model predictions with test results
A NASA developed digital computer code for a Stirling engine, modelling the performance of a single cylinder rhombic drive ground performance unit (GPU), is presented and its predictions are compared to test results. The GPU engine incorporates eight regenerator/cooler units and the engine working space is modelled by thirteen control volumes. The model calculates indicated power and efficiency for a given engine speed, mean pressure, heater and expansion space metal temperatures and cooler water inlet temperature and flow rate. Comparison of predicted and observed powers implies that the reference pressure drop calculations underestimate actual pressure drop, possibly due to oil contamination in the regenerator/cooler units, methane contamination in the working gas or the underestimation of mechanical loss. For a working gas of hydrogen, the predicted values of brake power are from 0 to 6% higher than experimental values, and brake efficiency is 6 to 16% higher, while for helium the predicted brake power and efficiency are 2 to 15% higher than the experimental.
Tew, R. C., Jr.↗
A toolbox and record for scientific models
Computational science presents a host of challenges for the field of knowledge-based software design. Scientific computation models are difficult to construct. Models constructed by one scientist are easily misapplied by other scientists to problems for which they are not well-suited. Finally, models constructed by one scientist are difficult for others to modify or extend to handle new types of problems. Construction of scientific models actually involves much more than the mechanics of building a single computational model. In the course of developing a model, a scientist will often test a candidate model against experimental data or against a priori expectations. Test results often lead to revisions of the model and a consequent need for additional testing. During a single model development session, a scientist typically examines a whole series of alternative models, each using different simplifying assumptions or modeling techniques. A useful scientific software design tool must support these aspects of the model development process as well. In particular, it should propose and carry out tests of candidate models. It should analyze test results and identify models and parts of models that must be changed. It should determine what types of changes can potentially cure a given negative test result. It should organize candidate models, test data, and test results into a coherent record of the development process. Finally, it should exploit the development record for two purposes: (1) automatically determining the applicability of a scientific model to a given problem; (2) supporting revision of a scientific model to handle a new type of problem. Existing knowledge-based software design tools must be extended in order to provide these facilities.
Ellman, Thomas↗
Analytical and computational models of shells; Proceedings of the Symposium, ASME Winter Annual Meeting, San Francisco, CA, Dec. 10-15, 1989
Topics presented include asymptotic analysis and computation for shells, the edge effects in the Reissner-Mindlin plate theory, nonlinear problems of geometrically exact shell theories, and developments in variational methods for high performance plate and shell elements. Also presented are an assumed strain solid element model for geometrically nonlinear shell analysis, shell finite elements with six degrees of freedom per node, hierarchic plate and shell models based on p-extension, and a simple shell element formulation for large-scale elastoplastic analysis. Also discussed are the assessment of computational models for multilayered composite cylinders, shell models for impact analysis, analysis of shell structures subjected to contact-impacts, and the application of shell theory to cardiac mechanics.
Noor, Ahmed K.↗
Incorporation of shuttle CCT parameters in computer simulation models
Computer simulations of shuttle missions have become increasingly important during recent years. The complexity of mission planning for satellite launch and repair operations which usually involve EVA has led to the need for accurate visibility and access studies. The PLAID modeling package used in the Man-Systems Division at Johnson currently has the necessary capabilities for such studies. In addition, the modeling package is used for spatial location and orientation of shuttle components for film overlay studies such as the current investigation of the hydrogen leaks found in the shuttle flight. However, there are a number of differences between the simulation studies and actual mission viewing. These include image blur caused by the finite resolution of the CCT monitors in the shuttle and signal noise from the video tubes of the cameras. During the course of this investigation the shuttle CCT camera and monitor parameters are incorporated into the existing PLAID framework. These parameters are specific for certain camera/lens combinations and the SNR characteristics of these combinations are included in the noise models. The monitor resolution is incorporated using a Gaussian spread function such as that found in the screen phosphors in the shuttle monitors. Another difference between the traditional PLAID generated images and actual mission viewing lies in the lack of shadows and reflections of light from surfaces. Ray tracing of the scene explicitly includes the lighting and material characteristics of surfaces. The results of some preliminary studies using ray tracing techniques for the image generation process combined with the camera and monitor effects are also reported.
Huntsberger, Terry↗
FFT-local gravimetric geoid computation
Model computations show that changes of sampling interval introduce only 0.3 cm changes, whereas zero padding provides an improvement of more than 5 cm in the fast Fourier transformation (FFT) generated geoid. For the Global Positioning System (GPS) survey of Franklin County, Ohio, the parameters selected as a result of model computations, allow large reduction in local data requirements while still retaining the cm accuracy when tapering and padding is applied. The results are shown in tables.
Nagy, Dezso↗