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At least 1,765 records · Page 98

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DOE OSTI2023

CSPlib: A performance portable parallel software toolkit for analyzing complex kinetic mechanisms

Computational singular perturbation (CSP) is a method to analyze dynamical systems. It targets the decoupling of fast and slow dynamics using an alternate linear expansion of the right-hand side of the governing equations based on eigenanalysis of the associated Jacobian matrix. This representation facilitates diagnostic analysis, detection and control of stiffness, and the development of simplified models. For this work, we have implemented CSP in a C++ open-source library CSPlib using the Kokkos parallel programming model to address portability across diverse heterogeneous computing platforms, i.e., multi/many-core CPUs and GPUs. We describe the CSPlib implementation and present its computational performance across different computing platforms using several test problems. Specifically, we test the CSPlib performance for a constant pressure ignition reactor model on different architectures, including IBM Power 9, Intel Xeon Skylake, and NVIDIA V100 GPU. The size of the chemical kinetic mechanism is varied in these tests. As expected, the Jacobian matrix evaluation, the eigensolution of the Jacobian matrix, and matrix inversion are the most expensive computational tasks. When considering the higher throughput characteristic of GPUs, GPUs performs better for small matrices with higher occupancy rate. CPUs gain more advantages from the higher performance of well-tuned and optimized linear algebra libraries such as OpenBLAS.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2000

A comparison of depth dependence of dose and linear energy transfer spectra in aluminum and polyethylene

A set of four tissue-equivalent proportional counters (TEPCs), with their detector heads at the centers of 0 (bare), 3, 7 and 9-inch-diameter aluminum spheres, were flown on Shuttle flight STS-89. Five such detectors at the centers of polyethylene spheres were flown 1 year earlier on STS-81. The results of dose-depth dependence for the two materials convincingly show the merits of using material rich in hydrogen to decrease the radiation exposure to the crew. A comparison of the calculated galactic cosmic radiation (GCR) absorbed dose and dose-equivalent rates using the radiation transport code HZETRN with nuclear fragmentation model NUCFRG2 and the measured GCR absorbed dose rates and dose-equivalent rates shows that they agree within root mean square (rms) error of 12.5 and 8.2%, respectively. However, there are significant depth-dependent differences in the linear energy transfer (LET) spectra. A comparison for trapped protons using the proton transport code BRYNTRN and the AP-8 MIN trapped-proton model shows a systematic bias, with the model underpredicting dose and dose-equivalent rates. These results show the need for improvements in the radiation transport and/or fragmentation models.

manned↗

DOE OSTI2023

Incorporation of market signals for the optimal design of post combustion carbon capture systems

Recent studies have shown that fossil generators equipped with post-combustion carbon capture (PCC) systems are needed to reduce the cost of deep decarbonization. Such generators need to be flexible and responsive to grid conditions, particularly in a high variable renewable energy (VRE) environment. In this work, we evaluate the net present value (NPV) of retrofitting an existing natural gas combined cycle (NGCC) unit with a flexible PCC system while incorporating market signals from a high VRE grid. We use our industrial partner’s NGCC configuration as representative of existing NGCC units and Svante’s rapid-temperature swing adsorption (TSA) for PCC. Because of its ability to rapidly startup/shutdown and ramp-up/ramp-down, the chosen capture technology is very attractive for load-following operations. For a given set of market signals, we formulate a two-stage stochastic multi-period optimization problem, under the price-taker assumption, to simultaneously optimize the design of the capture system and operation of the entire plant. Rigorous models for the NGCC unit, PCC system, and compression system are developed using commercial process simulators and validated with either plant or vendor data. For computational tractability, we develop surrogate/reduced-order models for use in the optimization problem. The surrogate model for the NGCC plant is constructed by linearizing the rigorous dynamic model at 75% load, while data-driven nonlinear surrogate models for the capture and compression systems are constructed using simulation data from the rigorous models. The optimization problem, formulated as a mixed integer bilinear program, is implemented in the IDAES® integrated platform and solved to global optimality using Gurobi 9.5. Using this formulation, we determine the profitability of retrofitting an existing NGCC unit with the chosen capture system for multiple regions in the U.S. under two scenarios with different carbon prices. Importantly, the results show that the optimal decision strongly depends on the region and on the carbon price, thereby demonstrating the importance of the inclusion of market signals in the design process.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1971

On stochastic control and optimal measurement strategies

The control of stochastic dynamic systems is studied with particular emphasis on those which influence the quality or nature of the measurements which are made to effect control. Four main areas are discussed: (1) the meaning of stochastic optimality and the means by which dynamic programming may be applied to solve a combined control/measurement problem; (2) a technique by which it is possible to apply deterministic methods, specifically the minimum principle, to the study of stochastic problems; (3) the methods described are applied to linear systems with Gaussian disturbances to study the structure of the resulting control system; and (4) several applications are considered.

Kramer, L. C.↗

NASA NTRS1975

Hardening of MJS77 spacecraft against the Jupiter radiation belts

Results of the device characterization program to identify components of the Mariner Jupiter/Saturn spacecraft in need of radiation hardening to meet a total dose requirement of 5 trillion e/sq cm are presented. The parts to be tested, including bipolar transistors, JFETs, SCRs, CMOS devices, linear integrated circuits, Zener diodes and other radiation-sensitive parts, were identified by a worst case circuit analysis of the 20 major subsystems. The test samples were exposed to several levels of irradiation from a Dynamitron electron accelerator capable of producing a steady stream of electrons at energies up to 2.5 eV. The electrical parameters of the devices were measured immediately following irradiation to prevent annealing. CMOS devices and linear devices showed the most severe degradation in a moderate radiation environment, and significant degradation was produced at low current in bipolar transistors. Three methods used for screening a number of devices determined by circuit and shielding analyses to be unacceptable radiation-sensitive are described: diffusion and metallization lot screening; wafer lot screening; and irradiation-anneal screening.

W E Price↗

NASA NTRS1978

Sonic-box method employing local Mach number for oscillating wings with thickness

A computer program was developed to account approximately for the effects of finite wing thickness in the transonic potential flow over an oscillating wing of finite span. The program is based on the original sonic-box program for planar wing which was previously extended to include the effects of the swept trailing edge and the thickness of the wing. Account for the nonuniform flow caused by finite thickness is made by application of the local linearization concept. The thickness effect, expressed in terms of the local Mach number, is included in the basic solution to replace the coordinate transformation method used in the earlier work. Calculations were made for a delta wing and a rectangular wing performing plunge and pitch oscillations, and the results were compared with those obtained from other methods. An input quide and a complete listing of the computer code are presented.

Ruo, S. Y.↗

NASA NTRS1982

Instrumentation, data acquisition and reduction for a large spaceborne helium dewar

The data acquisition system monitors five types of transducers: (1) platinum and germanium resistance thermometers; (2) superconducting liquid level indicators for both cryogen tanks; (3) pressure transducers for both tanks; (4) strain gauges at critical structural locations; and (5) flowmeters for monitoring cryogen tank boiloff which are linear voltage output transducers. All the transducers produce a voltage proportional to the parameter they measure; this is routed to a single six and one-half digit voltmeter by way of an 80-channel multiplexer. The data acquisition program has six main functions: (1) definition and modification of the channels to be stimulated; (2) sensor stimulation and measurement; (3) raw data storage; (4) raw data conversion; (5) real-time formatting and output of raw or converted data; and (6) editing. The heart of the program is a driver section that represents approximately 20 percent of the code. The driver mode sequences and controls the six main functions.

Brooks, W. F.↗

NASA NTRS1984

HYTESS: A hypothetical turbofan engine simplified simulation

A users manual for a hypothetical turbofan engine simplified simulation is presented. This digital simulation exists as FORTRAN source code. The program is self-contained and was developed to offer those interested in engine dynamics and controls research an efficient, realistic, and easily used engine simulation. The engine is modeled using a state space formulation. Matrix elements within the linear state space structure are nonlinear functions of various engine variables.

Merrill, W. C.↗

NASA NTRS1983

The 3D inelastic analysis methods for hot section components

The objective of this research is to develop an analytical tool capable of economically evaluating the cyclic time dependent plasticity which occurs in hot section engine components in areas of strain concentration resulting from the combination of both mechanical and thermal stresses. The techniques developed must be capable of accommodating large excursions in temperatures with the associated variations in material properties including plasticity and creep. The overall objective of this proposed program is to develop advanced 3-D inelastic structural/stress analysis methods and solution strategies for more accurate and yet more cost effective analysis of combustors, turbine blades, and vanes. The approach will be to develop four different theories, one linear and three higher order with increasing complexities including embedded singularities.

Dame, L. T.↗

NASA NTRS1987

Using Enviro-Pod low altitude imagery to inventory building surface materials for an acid rain study - A Baltimore example

Low altitude, oblique and vertical color photography taken from EPA's Enviro-Pod Ka 85 camera system has provided the data for taking an inventory of building surface materials in a test area of downtown Baltimore. Photography was acquired from a gridded flight plan to provide views of all sides of buildings. Color, texture, and linear detail are employed in the photo interpretation aided by contextual reference to a classification of building construction type developed in an earlier study. The work could potentially support a materials inventory initiated by the National Acid Precipitation Assessment Program (NAPAP) by scientists from EPA, Geological Survey, and the Department of Energy. Initial results show the method to be viable. Discrete surface materials such as brick, both bare and painted, stone, and metal are identified.

Ellefsen, Richard↗

NASA NTRS1989

Designing ceramic components with the CARES computer program

NASA-Lewis has developed a public-domain computer program, designated 'Ceramic Analysis and Reliability Evaluation of Structures' (CARES) for calculating the fast-fracture reliability of macroscopically isotropic ceramic components subjected to the complex thermomechanical loadings typical of heat engines. The design methodology employed by CARES encompasses linear elastic fracture mechanics theory, extreme value statistics, and material microstructures; component integrity is conceived as a function of the entire field solution of the stresses, rather than being based solely on the most highly stressed point.

Nemeth, Noel N.↗

NASA NTRS1995

Application of a new finite difference algorithm for computational aeroacoustics

Acoustic problems have become extremely important in recent years because of research efforts such as the High Speed Civil Transport program. Computational aeroacoustics (CAA) requires a faithful representation of wave propagation over long distances, and needs algorithms that are accurate and boundary conditions that are unobtrusive. This paper applies a new finite difference method and boundary algorithm to the Linearized Euler Equations (LEE). The results demonstrate the ability of a new fourth order propagation algorithm to accurately simulate the genuinely multidimensional wave dynamics of acoustic propagation in two space dimensions with the LEE. The results also show the ability of a new outflow boundary condition and fourth order algorithm to pass the evolving solution from the computational domain with no perceptible degradation of the solution remaining within the domain.

Goodrich, John W.↗

NASA NTRS1993

A survey of propfan noise propagation at cruise

Acoustic measurements collected during the Propfan Test Assessment (PTA) program in 1989 had demonstrated that cruising Propfans have undesirably high far-field noise level. This study attempts to investigate the source of these noise disturbances generated by a single-rotating propeller with supersonic tip speed. Various atmospheric and propagation effects responsible for shaping the far-field acoustics will be examined. A methodology for analyzing Propfan propagation noise is proposed based on the theory of geometrical acoustics. This approach allows acoustic rays to be traced into the far-field via Snell's law. Amplitude variation along the rays are evaluated by applying the Blokhintzev energy invariant principle. Additional terms are appended to the energy invariant principle to account for propagation and atmospheric effects. A FORTRAN program is written to analyze the rays emitted from a helicoidal source path traced by supersonic helical speed blade tip. Earlier papers by Myers and Farassat have demonstrated the presence of Mach envelopes that lead to formation of caustics. Linear geometric acoustics is used to ascertain the existence of these nonlinear caustics in the far-field. The importance of caustics to Propfan noise generation is then studied.

Sim, Ben WEL-C.↗

NASA NTRS2005

Analytic Modeling of the Hydrodynamic, Thermal, and Structural Behavior of Foil Thrust Bearings

A simulation and modeling effort is conducted on gas foil thrust bearings. A foil bearing is a self acting hydrodynamic device capable of separating stationary and rotating components of rotating machinery by a film of air or other gaseous lubricant. Although simple in appearance these bearings have proven to be complicated devices in analysis. They are sensitive to fluid structure interaction, use a compressible gas as a lubricant, may not be in the fully continuum range of fluid mechanics, and operate in the range where viscous heat generation is significant. These factors provide a challenge to the simulation and modeling task. The Reynolds equation with the addition of Knudsen number effects due to thin film thicknesses is used to simulate the hydrodynamics. The energy equation is manipulated to simulate the temperature field of the lubricant film and combined with the ideal gas relationship, provides density field input to the Reynolds equation. Heat transfer between the lubricant and the surroundings is also modeled. The structural deformations of the bearing are modeled with a single partial differential equation. The equation models the top foil as a thin, bending dominated membrane whose deflections are governed by the biharmonic equation. A linear superposition of hydrodynamic load and compliant foundation reaction is included. The stiffness of the compliant foundation is modeled as a distributed stiffness that supports the top foil. The system of governing equations is solved numerically by a computer program written in the Mathematica computing environment. Representative calculations and comparisons with experimental results are included for a generation I gas foil thrust bearing.

Bruckner, Robert J.↗

NASA NTRS2008

MACOS Version 3.31

Version 3.31 of Modeling and Analysis for Controlled Optical Systems (MACOS) has been released. MACOS is an easy-to-use computer program for modeling and analyzing the behaviors of a variety of optical systems, including systems that have large, segmented apertures and are aligned with the technology of wavefront sensing and control. Two previous versions were described in "Improved Software for Modeling Controlled Optical Systems" (NPO-19841) NASA Tech Briefs, Vol. 21, No. 12 (December 1997), page 42 and "Optics Program Modified for Multithreaded Parallel Computing" (NPO-40572) NASA Tech Briefs, Vol. 30, No. 1 (January 2006) page 13a. The present version incorporates the following enhancements over prior versions: a) A powerful system-optimization facility includes algorithms for linear, nonlinear, unconstrained, and constrained optimization of optical systems under a variety of settings. b) There is now enhanced capability to perturb optical components individually and on subsystem levels, and to optimize system performance by adjusting selected individual components as well as subsystems. c) Capabilities for modeling a variety of new optical aperture types have been added. d) Effects of multilayer thin-film coats on optical surfaces can now be taken into account when tracing polarized rays. e) Major software-engineering work was performed to make MACOS more reliable, flexible, and manageable for purposes of maintenance and further development.

Redding, David↗

NASA NTRS2009

Physical Interpretation of the Spectral Radiative Signature in the Transition Zone Between Cloud-Free and Cloudy Regions

One-second-resolution zenith radiance measurements from the Atmospheric Radiation Measurement program's new shortwave spectrometer (SWS) provide a unique opportunity to analyze the transition zone between cloudy and cloud-free air, which has considerable bearing on the aerosol indirect effect. In the transition zone, we find a remarkable linear relationship between the sum and difference of radiances at 870 and 1640 nm wavelengths. The intercept of the relationship is determined primarily by aerosol properties, and the slope by cloud properties. We then show that this linearity can be predicted from simple theoretical considerations and furthermore that it supports the hypothesis of inhomogeneous mixing, whereby optical depth increases as a cloud is approached but the effective drop size remains unchanged.

Chiu, J. C.↗

NASA NTRS2014

Application of Sequential Quadratic Programming to Minimize Smart Active Flap Rotor Hub Loads

In an analytical study, SMART active flap rotor hub loads have been minimized using nonlinear programming constrained optimization methodology. The recently developed NLPQLP system (Schittkowski, 2010) that employs Sequential Quadratic Programming (SQP) as its core algorithm was embedded into a driver code (NLP10x10) specifically designed to minimize active flap rotor hub loads (Leyland, 2014). Three types of practical constraints on the flap deflections have been considered. To validate the current application, two other optimization methods have been used: i) the standard, linear unconstrained method, and ii) the nonlinear Generalized Reduced Gradient (GRG) method with constraints. The new software code NLP10x10 has been systematically checked out. It has been verified that NLP10x10 is functioning as desired. The following are briefly covered in this paper: relevant optimization theory; implementation of the capability of minimizing a metric of all, or a subset, of the hub loads as well as the capability of using all, or a subset, of the flap harmonics; and finally, solutions for the SMART rotor. The eventual goal is to implement NLP10x10 in a real-time wind tunnel environment.

HUB LOADS↗

DOE OSTI2024

MolSym : A Python package for handling symmetry in molecular quantum chemistry

A consideration of the point group symmetry of molecules is often advantageous from a computational efficiency standpoint and sometimes necessary for the correct treatment of chemical physics problems. Many modern electronic structure software packages include a treatment of symmetry, but these are sometimes incomplete or unusable outside of that program’s environment. Therefore, we have developed the MolSym package for handling molecular symmetry and its associated functionalities to provide a platform for including symmetry in the implementation and development of other methods. Features include point group detection, molecule symmetrization, arbitrary generation of symmetry element sets and character tables, and symmetry adapted linear combinations of real spherical harmonic basis functions, Cartesian displacement coordinates, and internal coordinates. We present some of the advantages of using molecular symmetry as achieved by MolSym, particularly with respect to Hartree–Fock theory, and the reduction of finite difference displacements in gradient/Hessian computations. Furthermore, this package is designed to be easily integrated into other software development efforts and may be extended to further symmetry applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗