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At least 757 records · Page 42

Effective Use of Cray Supercomputers

The effective use of a supercomputer depends on many aspects, including the ability of users to write efficient programs to use the resources of the system in an optimal manner. However, it is the responsibility of the system managers of these systems to insure the maximum effectiveness of the overall system is achieved. Many varying techniques have been developed at the Numerical Aerodynamic Simulation (NAS) Program to advance the management of these critical systems. Many of the issues and techniques used for managing supercomputers are common to multi-user UNIX systems, regardless of the version of UNIX or the power of the hardware. However, a UNICOS supercomputer presents some special challenges and requires additional features and tools to be developed to effectively manage the system. Only part of the challenge is related to performance monitoring and improvement. Much of the responsibility of the system manager is to provide fair and consistent access to the system resources, which is at times a difficult problem. After an introduction to the environment at the Numerical Aerodynamic Simulation Project is given as background this paper will first discuss the areas which are common to UNDC system management. Then the paper will discuss the specific areas of UNICOS which must be used to operate the system efficiently. The paper goes on to discuss the methods of supporting individual users in order to increase their effectiveness and the efficiency of their programs. This is accomplished through a professional support staff who interact on a daily basis to support the NAS scientific client community.

Kramer, William T. C.↗

Optimal, centralized dynamic curbside parking space zoning

In this paper we formulate a dynamic mixed integer program for optimally zoning curbside parking spaces subject to transportation policy-inspired constraints and regularization terms. First, we illustrate how given some objective of curb zoning valuation as a function of zone type (paid parking, bus stop, etc.), dynamically rezoning involves unrolling this optimization program over a fixed time horizon. Second, we implement two different solution methods given an example curb zoning valuation. In the first method, we solve long horizon dynamic zoning problems via approximate dynamic programming. In the second method, we employ Dantzig-Wolfe decomposition to break-up the mixed-integer program into a master problem and several sub-problems that can be solved in parallel. This speeds up the computational solve-time of the MIP considerably. We present simulation results and comparisons of the different employed techniques on vehicle arrival-rate data obtained for a neighborhood in downtown Seattle, Washington, USA.

Nazir, Mohammad Nawaf↗

Symbolic modeling of flexible manipulators

An algorithm is presented to symbolically derive the full nonlinear dynamic equations of motion of multilink flexible manipulators. Lagrange's assumed modes method is the basis of new algorithm and adapted in a way suitable for symbolic manipulation by digital computers. It is applied to model a two-link flexible arm by means of a commercially available symbolic manipulation program. The advantages of the algorithm and simulation results are discussed.

Cetinkunt, Sabri↗

Developing and utilizing an Euler computational method for predicting the airframe/propulsion effects for an aft-mounted turboprop transport. Volume 2: User guide

This manual explains how to use an Euler based computational method for predicting the airframe/propulsion integration effects for an aft-mounted turboprop transport. The propeller power effects are simulated by the actuator disk concept. This method consists of global flow field analysis and the embedded flow solution for predicting the detailed flow characteristics in the local vicinity of an aft-mounted propfan engine. The computational procedure includes the use of several computer programs performing four main functions: grid generation, Euler solution, grid embedding, and streamline tracing. This user's guide provides information for these programs, including input data preparations with sample input decks, output descriptions, and sample Unix scripts for program execution in the UNICOS environment.

Chen, H. C.↗

Flexible Material Systems Testing

An experimental program has been undertaken to better characterize the stress-strain characteristics of flexible material systems to support a NASA ground test program for inflatable decelerator material technology. A goal of the current study is to investigate experimental methods for the characterization of coated woven material stiffness. This type of experimental mechanics data would eventually be used to define the material inputs of fluid-structure interaction simulation models. The test methodologies chosen for this stress-strain characterization are presented along with the experimental results.

Lin, John K.↗

Numerical Analysis of Cavitation-Induced Two-Phase Fluid Transients in Cryogenic Feedlines Using Finite Volume Procedure

This article presents a numerical investigation of the cavitation induced fluid transient in cryogenic feedline due to sudden closure of the valve A one dimensional numerical model based on finite volume procedure consisting of nodes and branches using Generalized Fluid System Simulation Program ( has been employed for the prediction of pressure variations The unsteady friction formulation accurately determines wall shear stress, and a homogeneous mixture model is used for two phase flow modeling Numerical results obtained with the present formulation are compared with experimental results and Method of Characteristic ( based results It is observed that low residual in flow variable calculation improves the solution providing numerically stable results GFSSP is able to reproduce the fluid transient peak due to vapor collapse Subsequently, it can retain the shape of pressure wave for two phase fluid transients, but it is dampening faster compared to experiments Further investigation is required with set of experiments to validate the present numerical approach for different experimental data.

Fluid Transient↗

Exercise Countermeasures for Bone Loss During Space Flight: A Method for the Study of Ground Reaction Forces and Their Implications for Bone Strain

The human zero-gravity locomotion simulator and the cadaver simulator offer a powerful combination for the study of the implications of exercise for maintaining bone quality during space flight. Such studies, when compared with controlled in-flight exercise programs, could help in the identification of a strain threshold for the prevention of bone loss during space flight.

Peterman, M.↗

Modeling support for the development of material surveillance specimens and procedures

This report describes modeling and simulation activities performed at Argonne National Laboratory supporting the development of passively actuated mechanical test articles for material surveillance in Molten Salt Reactors (MSRs). These test articles are a critical technology in formulating material surveillance programs for future MSRs to monitor the degradation in the structural properties of the materials in critical plant components. The main activity described in this report is the development of a method for inferring the amount of mechanical damage a test article has experienced during some duration of exposure to plant thermal and environmental conditions, using only mechanical test data collected from the test articles before and after exposure. The basic approach is to develop a model of the test article, including a description of mechanical degradation through continuum damage mechanics, and then use this model to cast the problem of inferring mechanical degradation in the test article materials into a shooting problem for a set of ordinary differential equations. We can then solve the shooting problem to determine the amount of damage accumulated in the sample. The report also details a few miscellaneous simulation studies completed at Argonne to support the development of the test articles themselves at Idaho National Laboratory.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Free-Space Optical Communication for CubeSats in Low Lunar Orbit (LLO)

The NASA ARTEMIS Program will include LunaNet, a highly extensible, open architecture, lunar communications and navigation network. A constellation of CubeSats in Low Lunar Orbit (LLO), 100 km, could form an optical communications and navigation network as part of LunaNet, with terminals on the lunar surface, including mobile ones such as with astronauts and rovers. The proposed CubeSat nodes should provide data relay and navigational aid services. The proposed effort herein is to develop a fine pointing capability for laser beam pointing to augment body pointing by CubeSats. Body pointing was used by Aerospace Corporation for the CubeSats in LEO in NASA’s Optical Communications and Sensors Demonstration (OCSD) program [1]. Previously, this fine pointing capability was computer simulated for the OCSD program [2,3]. With fine pointing, the spot size on the Earth was reduced by a factor of eight with a reduction in laser output power by a factor of sixty-four, thereby mitigating the thermal load challenge on the CubeSats. The same reductions in spot size and laser output power can be achieved for CubeSats in LLO. A new method is described for optical data transmissions from satellites, which uses laser arrays for laser beam pointing. It combines a lens system and an array of vertical-cavity, surface-emitting lasers and photodetectors, an VCSEL/Photodetector Array, (both mature technologies), in a novel way. This system is applied to CubeSats in low lunar orbit, (LLO), which use body pointing. Also, It may be able to replace current architectures which use dynamical systems, (i.e., moving parts) to point the laser, and which may also use vibration isolation platforms. The computer simulations used the optics code, OpticStudio, from Zemax, LLC, which has the capabilities to model the laser source and diffraction effects from wave optics. These capabilities make it possible to model laser beam propagation over long space communication distances.

Goorjian, P. M.↗

Advanced Turboprop Transport Aircraft Modeling for the Electrified Powertrain Flight Demonstration Project

The objective of this study is to establish models for state of the art, representative regional non-electrified turboprop configurations in the 19-50 passenger capability range and assess performance impacts from advanced aircraft technologies. Two of these models will serve as reference baseline configurations for comparison to electrified aircraft propulsion (EAP) demonstrator concepts for the Electrified Powertrain Flight Demonstration (EPFD) project. The other two non-electrified configurations will primarily assess the impacts of advanced technologies on fuel consumption and CO₂ emissions. This paper details an aircraft synthesis and performance analysis approach using the General Aviation Synthesis Program (GASP) which is used to establish baseline performance capabilities, calibrate airplane and engine models using published manufacturer data and conduct technology sensitivity studies. Advanced technologies are selected from the categories of propulsion, aerodynamics, and flight systems. Performance assessments use Monte Carlo method coupled with GASP simulations to obtain performance distributions of the expected fuel burn, propulsive, aerodynamic, and weight benefits on the representative turboprop configurations from the application of advanced technologies. The final paper will present the impact of the advanced technologies on fuel burn and CO₂ emissions.

aircraft performance↗

Optimized Dispatch of Distributed Energy Resources for Resiliency and Power Quality Improvements at the Grid-Edge

Distributed Energy Resources (DERs) installed on low-voltage distribution systems, both utility-owned and nonutility owned may be employed to make improvements to system resiliency and power quality, in addition to simply serving load demand. By selectively dispatching active and reactive power from these existing DERs, improvements in voltage profiles and service availability during adverse events may be achieved. Further benefits can be gained by optimally choosing which DERs to dispatch power from, and the distribution of power from those DERs. For a given operating condition, using Linear Programming methods, optimal power dispatch values for individual DERs can be determined, while considering variables such as voltage gains, losses in the lines and the DERs, and DER reserve capacities. One such optimization technique is developed in this paper, and results from a real-time simulation study on a modified IEEE 13-bus distribution system with three DERs, are being presented. The operation of the optimized DER selection and dispatch algorithm is shown during normal operation of the transmission system when the DERs operate in grid-connected mode. Similar analyses can drive decision making during transmission system failure when the DERs operate in grid-forming or islanded mode.

Chowdhury, Prithwiraj Roy↗

The semidiscrete Galerkin finite element modeling of compressible viscous flow past an airfoil

The primary project was the numerical simulation, by a finite element/finite difference method, of the viscous flow about an airfoil. The secondary project involved the numerical simulation of the three-dimensional separated and vortex-dominated flow about a hemispherically capped cylinder in the transonic regime. Preliminary calculations were started for the hemisphere-cylinder at 0 and 5 degree angle of attack. The solution of the flow field about airfoils and wings is required to determine the important parameters of lift, moment, and drag. Viscous effects must be accounted for if the drag is to be accurately calculated. At present there are basically two approaches to the numerical simulation of the flow field, the use of fully viscous models and the inviscid/viscous models. The fully viscous models require the solution of an approximation of the Navier-Stokes equations and therefore should simulate most of the physical mechanisms. A fast, accurate, and computationally efficient inviscid flow solver was recently developed by Hartwich. It is thought that Hartwich's program coupled to a fast, accurate, and computationally efficient boundary layer code, will make an excellent tool for airfoil design. The purpose of the primary project was to develop a compressible boundary layer code using the semidiscrete Galerkin finite element method. The numerical scheme employed used the combination of a Dorodnitsyn formulation of the boundary layer equations, with a finite difference/finite element procedure (semidiscrete Galerkin method), in the solution of the compressible two-dimensional boundary layer equations. A laminar compressible boundary layer code was developed and tested for a NACA 0012 airfoil at a Mach number of 0.5, a Reynolds number of 5000, and zero angle of attack. At present the boundary layer program solves up to, but not beyond, separation.

Meade, Andrew J.↗

Summary Report Of The FY25 Reactor Physics Verification And Validation Exercises In The Advanced Reactor Technologies - Gas-cooled Reactor Program

Valdiation and verification of numerical tools is critical for ensuring reasonable predictions for design scoping, licensing, and safety analsyis. In this report, two reactor physics verification and validation exercises are presented. The first of these exercises focuses on burnup analysis with data from the Advanced Gas Reactor (AGR) program. Simulations are performed with Monte Carlo N-Particle (MCNP) and are compared with the experimental measurements for the AGR 1 and 2 experiments that utilize both UCO and UO2 fuel. The second exercises utilizes data from the HTR-Proteus experiments to perform reactor physics validation. Specifications of the experimental facility are provdied, along with a demonstration of initial modeling efforts in Serpent for one of the determistic packing experiments. Both cases are part of the Generation-IV international forum (GIF) Very High-Temperature Reactor (VHTR) Computational Methods, Validation, and Benchmarking (CMVB) program, an international collaborative organization dedicated to the verification and validation of High-Temperature Gas-Cooled Reactor (HTGR) analysis. Participation in the CMVB allows the US Department of Energy (DOE) to leverage these existing validation activities to provide extra value through benchmarking activities with other CMVB members.

and Benchmarking (CMVB) program↗

Towards the spatial resolution of metalloprotein charge states by detailed modeling of XFEL crystallographic diffraction

Oxidation states of individual metal atoms within a metalloprotein can be assigned by examining X-ray absorption edges, which shift to higher energy for progressively more positive valence numbers. Indeed, X-ray crystallography is well suited for such a measurement, owing to its ability to spatially resolve the scattering contributions of individual metal atoms that have distinct electronic environments contributing to protein function. However, as the magnitude of the shift is quite small, about +2 eV per valence state for iron, it has only been possible to measure the effect when performed with monochromated X-ray sources at synchrotron facilities with energy resolutions in the range 2–3 × 10 −4 (Δ E / E ). This paper tests whether X-ray free-electron laser (XFEL) pulses, which have a broader bandpass (Δ E / E = 3 × 10 −3 ) when used without a monochromator, might also be useful for such studies. The program nanoBragg is used to simulate serial femtosecond crystallography (SFX) diffraction images with sufficient granularity to model the XFEL spectrum, the crystal mosaicity and the wavelength-dependent anomalous scattering factors contributed by two differently charged iron centers in the 110-amino-acid protein, ferredoxin. Bayesian methods are then used to deduce, from the simulated data, the most likely X-ray absorption curves for each metal atom in the protein, which agree well with the curves chosen for the simulation. The data analysis relies critically on the ability to measure the incident spectrum for each pulse, and also on the nanoBragg simulator to predict the size, shape and intensity profile of Bragg spots based on an underlying physical model that includes the absorption curves, which are then modified to produce the best agreement with the simulated data. This inference methodology potentially enables the use of SFX diffraction for the study of metalloenzyme mechanisms and, in general, offers a more detailed approach to Bragg spot data reduction.

59 BASIC BIOLOGICAL SCIENCES↗

Electronic Structure Theories of Singlet Fission and Multiple Exciton Generation (Final Report)

This DOE grant supported the development of electronic structure theory, algorithms, and computer programs for simulating singlet fission and multiple excision generation processes from Sept. 2013 to Aug. 2018 (which was terminated due to the PI’s departure from Northwestern University to industry). One of the main achievements is the development of the so-called active space decomposition (ASD) method hat describes exciton dynamics in organic semiconductors and spin dynamics in strongly correlated materials. The resulting software was interfaced with the Brilliantly Advanced General Electronic-structure Library (BAGEL) package and widely disseminated to the research community.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

CVEN 5899 Internship report

The internship is under the project of Center for Space and Earth Science student fellow program of Los Alamos National Laboratory (LANL). The topic of the project is grain-scale prediction of hypervelocity projectile penetration into terrestrial and extraterrestrial granular materials, which is also my PhD research topic. In this research, we would like to use discrete element method (DEM) to simulate the hyper-speed penetration into granular materials and compare with experiment results. The experiment is done by the Proton Radiography (pRad) team of LANL. In the experiment, a jet traveled through the sand with velocity of 4 km/s (fig.1). Our goal is to develop the large deformation constitutive model by the stress and strain upscaling, study the fluid (air) behavior and particle fracture during the hyperspeed penetration.

36 MATERIALS SCIENCE↗

Space shuttle wheels and brakes

The Space Shuttle Orbiter wheels were subjected to a combination of tests which are different than any previously conducted in the aerospace industry. The major testing difference is the computer generated dynamic landing profiles used during the certification process which subjected the wheels and tires to simulated landing loading conditions. The orbiter brakes use a unique combination of carbon composite linings and beryllium heat sink to minimize weight. The development of a new lining retention method was necessary in order to withstand the high temperature generated during the braking roll. As with many programs, the volume into which this hardware had to fit was established early in the program, with no provisions made for growth to offset the continuously increasing predicted orbiter landing weight.

Carsley, R. B.↗

Initial dynamic load estimates during configuration design

This analysis includes the structural response to shock and vibration and evaluates the maximum deflections and material stresses and the potential for the occurrence of elastic instability, fatigue and fracture. The required computations are often performed by means of finite element analysis (FEA) computer programs in which the structure is simulated by a finite element model which may contain thousands of elements. The formulation of a finite element model can be time consuming, and substantial additional modeling effort may be necessary if the structure requires significant changes after initial analysis. Rapid methods for obtaining rough estimates of the structural response to shock and vibration are presented for the purpose of providing guidance during the initial mechanical design configuration stage.

Schiff, Daniel↗