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At least 1,315 records · Page 73

High Performance Parallel Computational Nanotechnology

At a recent press conference, NASA Administrator Dan Goldin encouraged NASA Ames Research Center to take a lead role in promoting research and development of advanced, high-performance computer technology, including nanotechnology. Manufacturers of leading-edge microprocessors currently perform large-scale simulations in the design and verification of semiconductor devices and microprocessors. Recently, the need for this intensive simulation and modeling analysis has greatly increased, due in part to the ever-increasing complexity of these devices, as well as the lessons of experiences such as the Pentium fiasco. Simulation, modeling, testing, and validation will be even more important for designing molecular computers because of the complex specification of millions of atoms, thousands of assembly steps, as well as the simulation and modeling needed to ensure reliable, robust and efficient fabrication of the molecular devices. The software for this capacity does not exist today, but it can be extrapolated from the software currently used in molecular modeling for other applications: semi-empirical methods, ab initio methods, self-consistent field methods, Hartree-Fock methods, molecular mechanics; and simulation methods for diamondoid structures. In as much as it seems clear that the application of such methods in nanotechnology will require powerful, highly powerful systems, this talk will discuss techniques and issues for performing these types of computations on parallel systems. We will describe system design issues (memory, I/O, mass storage, operating system requirements, special user interface issues, interconnects, bandwidths, and programming languages) involved in parallel methods for scalable classical, semiclassical, quantum, molecular mechanics, and continuum models; molecular nanotechnology computer-aided designs (NanoCAD) techniques; visualization using virtual reality techniques of structural models and assembly sequences; software required to control mini robotic manipulators for positional control; scalable numerical algorithms for reliability, verifications and testability. There appears no fundamental obstacle to simulating molecular compilers and molecular computers on high performance parallel computers, just as the Boeing 777 was simulated on a computer before manufacturing it.

Saini, Subhash↗

Next Generation CTAS Tools

The FAA's Free Flight Phase 1 Office is in the process of deploying the current generation of CTAS tools, which are the Traffic Management Advisor (TMA) and the passive Final Approach Spacing Tool (pFAST), at selected centers and airports. Research at NASA is now focussed on extending the CTAS software and computer human interfaces to provide more advanced capabilities. The Multi-center TMA (McTMA) is designed to operate at airports where arrival flows originate from two or more centers whose boundaries are in close proximity to the TRACON boundary. McTMA will also include techniques for routing arrival flows away from congested airspace and around airspace reserved for arrivals into other hub airports. NASA is working with FAA and MITRE to build a prototype McTMA for the Philadelphia airport. The active Final Approach Spacing Tool (aFAST) provides speed and heading advisories to help controllers achieve accurate spacing between aircraft on final approach. These advisories will be integrated with those in the existing pFAST to provide a set of comprehensive advisories for controlling arrival traffic from the TRACON boundary to touchdown at complex, high-capacity airports. A research prototype of aFAST, designed for the Dallas-Fort Worth is in an advanced stage of development. The Expedite Departure Path (EDP) and Direct-To tools are designed to help controllers guide departing aircraft out of the TRACON airspace and to climb to cruise altitude along the most efficient routes.

Erzberger, Heinz↗

On a Method For Reconstructing Computed Tomography Datasets from an Unstable Source

As work continues in neutron computed tomography, at Los Alamos Neutron Science Center (LANSCE) and other locations, source reliability over the long imaging times is an issue of increasing importance. Moreover, given the time commitment involved in a single neutron image, it is impractical to simply discard a scan and restart in the event of beam instability. In order to mitigate the cost and time associated with these options, strategies are presented in the current work to produce a successful reconstruction of computed tomography data from an unstable source. The present work uses a high energy neutron tomography dataset from a simulated munition collected at LANSCE to demonstrate the method, which is general enough to be of use in conjunction with unstable X-ray computed tomography sources as well.

47 OTHER INSTRUMENTATION↗

Location of Center of Pressure of Airplane Wings

Data obtained in the Gottingen Aerodynamic Laboratory give considerable detail on the resulting air force moment exerted on various wing sections at different angles of attack. The Gottingen data can serve well to test the hydrodynamic theory, which (on the assumption of uniform motion and hence of infinitely wide wings) renders it possible to compute this moment as a function of the angle of attack. The Gottigen data can well serve to test the theory and it may be noted that experiment and computation compare favorably.

WINGS↗

Oak Ridge Computing Academy: An HPC cluster deployment and management pilot

The High Performance Computing Technologies (HPCT) course is a hands-on High Performance Computing (HPC) cluster deployment and management training program offered as part of the International School for Advanced Studies (SISSA) and the International Center for Theoretical Physics (ICTP) Master in High Performance Computing (MHPC) specialization. Here, this training program introduces students to key concepts in cluster configuration. which include networking, software stack provisioning, job scheduling, and monitoring. The publicly available course materials feature several examples and underlying methods that are broadly applicable to cluster deployment and management. This paper discusses the design of a new workforce development program at the Oak Ridge National Laboratory that is based on HPCT, the Oak Ridge Computing Academy (ORCA). The ORCA pilot program was hosted by the Oak Ridge Leadership Computing Facility (OLCF) in Summer 2025. As a part of this discussion, HPCT and ORCA course contents and infrastructure are outlined, ORCA participant experiences are detailed, and potential opportunities for improvement are discussed.

Education↗

Coupled-Flow Simulation of HP-LP Turbines Has Resulted in Significant Fuel Savings

Our objective was to create a high-fidelity Navier-Stokes computer simulation of the flow through the turbines of a modern high-bypass-ratio turbofan engine. The simulation would have to capture the aerodynamic interactions between closely coupled high- and low-pressure turbines. A computer simulation of the flow in the GE90 turbofan engine's high-pressure (HP) and low-pressure (LP) turbines was created at GE Aircraft Engines under contract with the NASA Glenn Research Center. The three-dimensional steady-state computer simulation was performed using Glenn's average-passage approach named APNASA. The areas upstream and downstream of each blade row mutually interact with each other during engine operation. The embedded blade row operating conditions are modeled since the average passage equations in APNASA actively include the effects of the adjacent blade rows. The turbine airfoils, platforms, and casing are actively cooled by compressor bleed air. Hot gas leaks around the tips of rotors through labyrinth seals. The flow exiting the high work HP turbines is partially transonic and, therefore, has a strong shock system in the transition region. The simulation was done using 121 processors of a Silicon Graphics Origin 2000 (NAS 02K) cluster at the NASA Ames Research Center, with a parallel efficiency of 87 percent in 15 hr. The typical average-passage analysis mesh size per blade row was 280 by 45 by 55, or approx.700,000 grid points. The total number of blade rows was 18 for a combined HP and LP turbine system including the struts in the transition duct and exit guide vane, which contain 12.6 million grid points. Design cycle turnaround time requirements ran typically from 24 to 48 hr of wall clock time. The number of iterations for convergence was 10,000 at 8.03x10(exp -5) sec/iteration/grid point (NAS O2K). Parallel processing by up to 40 processors is required to meet the design cycle time constraints. This is the first-ever flow simulation of an HP and LP turbine. In addition, it includes the struts in the transition duct and exit guide vanes.

Veres, Joseph P.↗

Computer-generated imagery for 4-D meteorological data

The University of Wisconsin-Madison Space Science and Engineering Center is developing animated stereo display terminals for use with McIDAS (Man-computer Interactive Data Access System). This paper describes image-generation techniques which have been developed to take maximum advantage of these terminals, integrating large quantities of four-dimensional meteorological data from balloon and satellite soundings, satellite images, Doppler and volumetric radar, and conventional surface observations. The images have been designed to use perspective, shading, hidden-surface removal, and transparency to augment the animation and stereo-display geometry. They create an illusion of a moving three-dimensional model of the atmosphere. This paper describes the design of these images and a number of rules of thumb for generating four-dimensional meteorological displays.

Hibbard, William L.↗

CAP: A Computer Code for Generating Tabular Thermodynamic Functions from NASA Lewis Coefficients

For several decades the NASA Glenn Research Center has been providing a file of thermodynamic data for use in several computer programs. These data are in the form of least-squares coefficients that have been calculated from tabular thermodynamic data by means of the NASA Properties and Coefficients (PAC) program. The source thermodynamic data are obtained from the literature or from standard compilations. Most gas-phase thermodynamic functions are calculated by the authors from molecular constant data using ideal gas partition functions. The Coefficients and Properties (CAP) program described in this report permits the generation of tabulated thermodynamic functions from the NASA least-squares coefficients. CAP provides considerable flexibility in the output format, the number of temperatures to be tabulated, and the energy units of the calculated properties. This report provides a detailed description of input preparation, examples of input and output for several species, and a listing of all species in the current NASA Glenn thermodynamic data file.

Zehe, Michael J.↗

CAP: A Computer Code for Generating Tabular Thermodynamic Functions from NASA Lewis Coefficients

For several decades the NASA Glenn Research Center has been providing a file of thermodynamic data for use in several computer programs. These data are in the form of least-squares coefficients that have been calculated from tabular thermodynamic data by means of the NASA Properties and Coefficients (PAC) program. The source thermodynamic data are obtained from the literature or from standard compilations. Most gas-phase thermodynamic functions are calculated by the authors from molecular constant data using ideal gas partition functions. The Coefficients and Properties (CAP) program described in this report permits the generation of tabulated thermodynamic functions from the NASA least-squares coefficients. CAP provides considerable flexibility in the output format, the number of temperatures to be tabulated, and the energy units of the calculated properties. This report provides a detailed description of input preparation, examples of input and output for several species, and a listing of all species in the current NASA Glenn thermodynamic data file.

Zehe, Michael J.↗

First-principles computations of the Stark shift of a defect-bound exciton: The case of the T center in silicon

The T center in silicon has recently drawn a lot of attention for its potential in quantum information science. The sensitivity of the zero-phonon line (ZPL) to electrical field was recently investigated by a combination of different experimental methods but there are still few first principles studies on the Stark shift of the T center. Dealing with the defect-bound exciton nature of the excited state is particularly challenging using density functional theory because of the large spatial delocalization associated with the wavefunction. Here, in this work, we tackle this issue by performing a convergence study over the supercell size. We obtain an exciton binding energy of 28.5 meV, in good agreement with experimental results. We then calculate the Stark shift through the dipole moment change of the ZPL transition of the T center using the modern theory of polarization formalism and find a modest linear coefficient of Δ⁢𝜇=0.79⁢D along X and Δ⁢𝜇=0.03⁢𝐷 along Y. We discuss our results in light of the recent experimental measurements of the Stark shift. Our analysis suggests that bound-exciton defects could be particularly sensitive to local field effect as a result of their large spatial extent.

color centers↗

High-performance finite elements with MFEM

The MFEM (Modular Finite Element Methods) library is a high-performance C++ library for finite element discretizations. MFEM supports numerous types of finite element methods and is the discretization engine powering many computational physics and engineering applications across a number of domains. Furthermore, this paper describes some of the recent research and development in MFEM, focusing on performance portability across leadership-class supercomputing facilities, including exascale supercomputers, as well as new capabilities and functionality, enabling a wider range of applications. Much of this work was undertaken as part of the Department of Energy’s Exascale Computing Project (ECP) in collaboration with the Center for Efficient Exascale Discretizations (CEED).

97 MATHEMATICS AND COMPUTING↗

Report on Computing and Networking in the Space Science Laboratory by the SSL Computer Committee

The Space Science Laboratory (SSL) at Marshall Space Flight Center is a multiprogram facility. Scientific research is conducted in four discipline areas: earth science and applications, solar-terrestrial physics, astrophysics, and microgravity science and applications. Representatives from each of these discipline areas participate in a Laboratory computer requirements committee, which developed this document. The purpose is to establish and discuss Laboratory objectives for computing and networking in support of science. The purpose is also to lay the foundation for a collective, multiprogram approach to providing these services. Special recognition is given to the importance of the national and international efforts of our research communities toward the development of interoperable, network-based computer applications.

Gallagher, D. L.↗

Skylab observations of the solar C I multiplets at 1560- and 1657-A

Skylab spectrograph profile observations of the solar C I multiplets are presented, and the profile variations from center to limb and at various heights above the quiet solar limb are noted. These lines are of interest both because they are formed in the midchromosphere, thereby providing checks and constraints on chromospheric models, and because they are sensitive to the magnitude of the nonthermal microvelocities included in theoretical calculations. The present observations are compared with the C I profiles calculated by Shine et al (1978), discussing the many inconsistencies that emerge, notably between the observed and computed 1560/1657-A ratio and in the center-to-limb and above-the-limb variations of the integrated intensity. The multiplet central cores are discussed in terms of several microturbulent velocity structures.

Roussel-Dupre, D.↗

Computer and display systems for large physiological models

This paper describes the computer and display systems which were developed for physiological models at NASA's Environmental Physiology Lab, Johnson Space Center. The systems involve hardware and software for remote communications, computation, and display. Also described is the development of a capability to proceed from a physiologist's hypothesis to meaningful presentations of model and laboratory data. Two large hardware and software computer configurations and their graphic display systems are discussed. One system is for dedicated use in the laboratory, and the other system is for remote use on a time-sharing basis. It is concluded that these techniques can add a new dimension to physiological data analysis tasks.

Hassell, R. F.↗

User's manual for semi-circular compact range reflector code

A computer code was developed to analyze a semi-circular paraboloidal reflector antenna with a rolled edge at the top and a skirt at the bottom. The code can be used to compute the total near field of the antenna or its individual components at a given distance from the center of the paraboloid. Thus, it is very effective in computing the size of the sweet spot for RCS or antenna measurement. The operation of the code is described. Various input and output statements are explained. Some results obtained using the computer code are presented to illustrate the code's capability as well as being samples of input/output sets.

Gupta, Inder J.↗

Fly-by-Wire Systems Enable Safer, More Efficient Flight

Using the ultra-reliable Apollo Guidance Computer that enabled the Apollo Moon missions, Dryden Flight Research Center engineers, in partnership with industry leaders such as Cambridge, Massachusetts-based Draper Laboratory, demonstrated that digital computers could be used to fly aircraft. Digital fly-by-wire systems have since been incorporated into large airliners, military jets, revolutionary new aircraft, and even cars and submarines.

Source record↗

Utilizing GPUs to Accelerate Turbomachinery CFD Codes

GPU computing has established itself as a way to accelerate parallel codes in the high performance computing world. This work focuses on speeding up APNASA, a legacy CFD code used at NASA Glenn Research Center, while also drawing conclusions about the nature of GPU computing and the requirements to make GPGPU worthwhile on legacy codes. Rewriting and restructuring of the source code was avoided to limit the introduction of new bugs. The code was profiled and investigated for parallelization potential, then OpenACC directives were used to indicate parallel parts of the code. The use of OpenACC directives was not able to reduce the runtime of APNASA on either the NVIDIA Tesla discrete graphics card, or the AMD accelerated processing unit. Additionally, it was found that in order to justify the use of GPGPU, the amount of parallel work being done within a kernel would have to greatly exceed the work being done by any one portion of the APNASA code. It was determined that in order for an application like APNASA to be accelerated on the GPU, it should not be modular in nature, and the parallel portions of the code must contain a large portion of the code's computation time.

computer programming↗