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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 757 records · Page 42
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Hierarchical calibration and validation framework of bench-scale computational fluid dynamics simulations for solvent-based carbon capture. Part 2: Chemical absorption across a wetted wall column: Original Research Article: Hierarchical calibration and validation framework of bench-scale computational fluid dynamics simulations

Part 1 of this paper presents a numerical model for non-reactive physical mass transfer across a wetted wall column (WWC). In Part 2, we improved the existing computational fluid dynamics (CFD) model to simulate chemical absorption occurring in a WWC as a bench-scale study of solvent-based carbon dioxide (CO 2 ) capture. In this study, to generate data for WWC model validation, CO 2 mass transfer across a monoethanolamine (MEA) solvent was first measured on a WWC experimental apparatus. The numerical model developed in this work can account for both chemical absorption and desorption of CO 2 in MEA. In addition, the overall mass transfer coefficient predicted using traditional/empirical correlations is conducted and compared with CFD prediction results for both steady and wavy falling films. A Bayesian statistical calibration algorithm is adopted to calibrate the reaction rate constants in chemical absorption/desorption of CO 2 across a falling film of MEA. The posterior distributions of the two transport properties, i.e., Henry's constant and gas diffusivity in the non-reacting nitrous oxide (N 2 O)/MEA system obtained from Part 1 of this study, serves as priors for the calibration of CO 2 reaction rate constants after using the N 2 O/CO 2 analogy method. Finally, the calibrated model can be used to predict the CO 2 mass transfer in a WWC for a wider range of operating conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

pnnl/socialsim

The goal of Computational Simulation of Online Social Behavior (SocialSim) is to develop innovative technologies for highfidelity computational simulation of online social behavior. SocialSim will focus specifically on information spread and evolution. Current computational approaches to social and behavioral simulation are limited in this regard. Top-down simulation approaches focus on the dynamics of a population as a whole, and model behavioral phenomena by assuming uniform or mostly-uniform behavior across that population. Such methods can easily scale to simulate massive populations, but can be inaccurate if there are specific, distinct variations in the characteristics of the population. In contrast, bottom-up simulation approaches treat population dynamics as an emergent property of the activities and interactions taking place within a diverse population. While such approaches can enable more accurate simulation of information spread, they do not readily scale to represent large populations. SocialSim aims to develop novel approaches to address these challenges.

Smith, William↗
NASA NTRS1997

Modular Manufacturing Simulator: Users Manual

The Modular Manufacturing Simulator (MMS) has been developed for the beginning user of computer simulations. Consequently, the MMS cannot model complex systems that require branching and convergence logic. Once a user becomes more proficient in computer simulation and wants to add more complexity, the user is encouraged to use one of the many available commercial simulation systems. The (MMS) is based on the SSE5 that was developed in the early 1990's by the University of Alabama in Huntsville (UAH). A recent survey by MSFC indicated that the simulator has been a major contributor to the economic impact of the MSFC technology transfer program. Many manufacturers have requested additional features for the SSE5. Consequently, the following features have been added to the MMS that are not available in the SSE5: runs under Windows, print option for both input parameters and output statistics, operator can be fixed at a station or assigned to a group of stations, operator movement based on time limit, part limit, or work-in-process (WIP) limit at next station. The movement options for a moveable operators are: go to station with largest WIP, rabbit chase where operator moves in circular sequence between stations, and push/pull where operator moves back and forth between stations. This user's manual contains the necessary information for installing the MMS on a PC, a description of the various MMS commands, and the solutions to a number of sample problems using the MMS. Also included in the beginning of this report is a brief discussion of technology transfer.

Source record↗
NASA NTRS1993

Implementation of interconnect simulation tools in spice

Accurate computer simulation of high speed digital computer circuits and communication circuits requires a multimode approach to simulate both the devices and the interconnects between devices. Classical circuit analysis algorithms (lumped parameter) are needed for circuit devices and the network formed by the interconnected devices. The interconnects, however, have to be modeled as transmission lines which incorporate electromagnetic field analysis. An approach to writing a multimode simulator is to take an existing software package which performs either lumped parameter analysis or field analysis and add the missing type of analysis routines to the package. In this work a traditionally lumped parameter simulator, SPICE, is modified so that it will perform lossy transmission line analysis using a different model approach. Modifying SPICE3E2 or any other large software package is not a trivial task. An understanding of the programming conventions used, simulation software, and simulation algorithms is required. This thesis was written to clarify the procedure for installing a device into SPICE3E2. The installation of three devices is documented and the installations of the first two provide a foundation for installation of the lossy line which is the third device. The details of discussions are specific to SPICE, but the concepts will be helpful when performing installations into other circuit analysis packages.

Satsangi, H.↗
DOE OSTI2018

Visualization of Dynamic Vortex Structures in Magnetic Films with Uniaxial Anisotropy (Micromagnetic Simulation)

Three-dimensional computer simulation of dynamic processes in a moving domain boundary separating domains in a soft magnetic uniaxial film with planar anisotropy is performed by numerical solution of Landau-Lifshitz-Gilbert equations. The developed visualization methods are used to establish the connection between the motion of surface vortices and antivortices, singular (Bloch) points, and core lines of intrafilm vortex structures. A relation between the character of magnetization dynamics and the film thickness is found. The analytical models of spatial vortex structures for imitation of topological properties of the structures observed in micromagnetic simulation are constructed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1980

SPS large array simulation

Three types of computer simulations were developed to study the SPS microwave power transmission system (MPTS). The radially symmetric array simulation is low cost and is utilized to investigate general overall characteristics of the spacetenna at the array level only. "Tiltmain", a subarray level simulation program, is used to study the effects of system errors which modify the far-field pattern. The most recently designed program, "Modmain," takes the detail of simulation down to the RF module level and so to date is the closest numerical model of the reference design.

Rathjen, S.↗
NASA NTRS1984

Evaluation of automated decisionmaking methodologies and development of an integrated robotic system simulation, appendix A

A generic computer simulation for manipulator systems (ROBSIM) was implemented and the specific technologies necessary to increase the role of automation in various missions were developed. The specific items developed were: (1) Capability for definition of a manipulator system consisting of multiple arms, load objects, and an environment; (2) Capability for kinematic analysis, requirements analysis, and response simulation of manipulator motion; (3) Postprocessing options such as graphic replay of simulated motion and manipulator parameter plotting; (4) Investigation and simulation of various control methods including manual force/torque and active compliance control; (5) Evaluation and implementation of three obstacle avoidance methods; (6) Video simulation and edge detection; and (7) Software simulation validation. This appendix is the user's guide and includes examples of program runs and outputs as well as instructions for program use.

Haley, D. C.↗
NASA NTRS1984

A hardware/software simulation for the video tracking system of the Kuiper Airborne Observatory telescope

This simulator was created so that C-141 Kuiper Airborne Observatory investigators could test their Airborne Data Acquisition and Management System software on a system which is generally more accessible than the ADAMS on the plane. An investigator can currently test most of his data acquisition program using the data computer simulator in the Cave. (The Cave refers to the ground-based computer facilities for the KAO and the associated support personnel.) The main Cave computer is interfaced to the data computer simulator in order to simulate the data-Exec computer communications. However until now, there has been no way to test the data computer interface to the tracker. The simulator described here simulates both the KAO Exec and tracker computers with software which runs on the same Hewlett-Packard (HP) computer as the investigator's data acquisition program. A simulator control box is hardwired to the computer to provide monitoring of tracker functions, to provide an operator panel similar to the real tracker, and to simulate the 180 deg phase shifting of the chopper squre-wave reference with beam switching. If run in the Cave, one can use their Exec simulator and this tracker simulator.

Boozer, G. A.↗
DOE OSTI2025

Lie-algebraic classical simulations for quantum computing

The classical simulation of quantum dynamics plays an important role in our understanding of quantum complexity and in the development of quantum technologies. Efficient techniques such as those based on the Gottesman-Knill theorem for Clifford circuits, tensor networks for low entanglement-generating circuits, or Wick's theorem for fermionic Gaussian states have become central tools in quantum computing. In this work, we contribute to this body of knowledge by presenting a framework for classical simulations, dubbed “𝔤-sim”, which is based on the underlying Lie algebraic structure of the dynamical process. When the dimension of the algebra grows at most polynomially in the system size, there exist observables for which the simulation is efficient. Indeed, we show that 𝔤-sim enables new regimes for classical simulations, is able to deal with certain forms of noise in the evolution, as well as can be used to tackle several paradigmatic variational and nonvariational quantum computing tasks. For the former, we perform Lie-algebraic simulations to train and optimize parametrized quantum circuits (thus effectively showing that some variational models can be dequantized), design enhanced parameter initialization strategies, solve tasks of quantum circuit synthesis, and train a quantum-phase classifier. For the latter, we report large-scale noiseless and noisy simulations on benchmark problems. By comparing the limitations of 𝔤-sim and certain Wick's theorem-based simulations, we find that the two methods become inefficient for different types of states or observables, hinting at the existence of distinct, nonequivalent resources for classical simulation.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1981

The application of simulation modeling to the cost and performance ranking of solar thermal power plants

A computer simulation code was employed to evaluate several generic types of solar power systems (up to 10 MWe). Details of the simulation methodology, and the solar plant concepts are given along with cost and performance results. The Solar Energy Simulation computer code (SESII) was used, which optimizes the size of the collector field and energy storage subsystem for given engine-generator and energy-transport characteristics. Nine plant types were examined which employed combinations of different technology options, such as: distributed or central receivers with one- or two-axis tracking or no tracking; point- or line-focusing concentrator; central or distributed power conversion; Rankin, Brayton, or Stirling thermodynamic cycles; and thermal or electrical storage. Optimal cost curves were plotted as a function of levelized busbar energy cost and annualized plant capacity. Point-focusing distributed receiver systems were found to be most efficient (17-26 percent).

Rosenberg, L. S.↗
DOE OSTI2022

SimNet: Accurate and High-Performance Computer Architecture Simulation using Deep Learning

While cycle-accurate simulators are essential tools for architecture research, design, and development, their practicality is limited by an extremely long time-to-solution for realistic applications under investigation. This work describes a concerted effort, where machine learning (ML) is used to accelerate microarchitecture simulation. First, an ML-based instruction latency prediction framework that accounts for both static instruction properties and dynamic processor states is constructed. Then, a GPU-accelerated parallel simulator is implemented based on the proposed instruction latency predictor, and its simulation accuracy and throughput are validated and evaluated against a state-of-the-art simulator. Leveraging modern GPUs, the ML-based simulator outperforms traditional CPU-based simulators significantly.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2018

Estimating a Large Phased Array Antenna Radiation Pattern by Computer Electromagnetic Simulation

The design of a conformal antenna for use on UAV's (Unmanned Aerial Vehicle) and other aircraft can be enhanced with computational electromagnetic modeling to determine the expected radiation patterns of the antenna when mounted on the aircraft. However, detailed simulation of the antenna structure and the aircraft together requires significant computational resources and time which may not be available. This paper details several methods for estimating the radiation pattern of a 50 by 50-element patch antenna. The Conformal Lightweight Antenna Structures for Aeronautical Communication Technologies (CLASACT) Program aims to build and test a 14.25 gigaherz (Ku-band) conformal antenna on a NASA-owned UAV. The antenna is intended for satellite communications and will enable communication between a ground station and a UAV when the separation distance is too great for line-of-sight communication. It is estimated that a 2 degree beamwidth will be necessary, requiring a 50 by 50 array of patch elements. The narrow beamwidth requirement, together with an element spacing of 0.6 lambda means that the array length will be 30 wavelengths, electrically very large. Three methods of varying complexity are described for estimating the total far-field radiation pattern. The results are shown for each method in the form of a normalized power pattern.

Mackenzie, Anne I.↗
DOE OSTI2021

Cold ion beam in a storage ring as a platform for large-scale quantum computers and simulators: Challenges and directions for research and development

The purpose of this paper is to evaluate the possibility of constructing a large-scale storage-ring-type ion-trap system capable of storing, cooling, and controlling a large number of ions as a platform for scalable quantum computing (QC) and quantum simulations. In such a trap, the ions form a crystalline beam moving along a circular path with a constant velocity determined by the frequency and intensity of the cooling lasers. In this paper, we consider a large leap forward in terms of the number of ions that serve as qubits in QC, from fewer than 100 available in state of the art linear ion-trap devices today to an order of 10 5 crystallized ions in the storage-ring setup. This new trap design unifies two different concepts: the storage rings of charged particles and the linear ion traps used for QC and mass spectrometry. In this paper, we use the language of particle accelerators to discuss the ion state and dynamics. We outline the differences between the above concepts, analyze challenges of the large ring with a revolving chain of ions, and propose goals for the research and development required to enable future quantum computers with 1000 times more qubits than available today. The challenge of creating such a large-scale quantum system while maintaining the necessary coherence of the qubits and the high fidelity of quantum logic operations is significant. Performing analog quantum simulations may be an achievable initial goal for such a device. Quantum calculations and simulations of complex quantum systems will move forward both the fundamental science and the applied research. Nuclear and particle physics, many-body quantum systems, lattice gauge theories, and nuclear structure calculations are just a few examples in which a large-scale quantum simulation system will become a very powerful tool to move forward our understanding of nature.

36 MATERIALS SCIENCE↗
NASA NTRS1984

Ocean modelling on the CYBER 205 at GFDL

At the Geophysical Fluid Dynamics Laboratory, research is carried out for the purpose of understanding various aspects of climate, such as its variability, predictability, stability and sensitivity. The atmosphere and oceans are modelled mathematically and their phenomenology studied by computer simulation methods. The present state-of-the-art in the computer simulation of large scale oceans on the CYBER 205 is discussed. While atmospheric modelling differs in some aspects, the basic approach used is similar. The equations of the ocean model are presented along with a short description of the numerical techniques used to find their solution. Computational considerations and a typical solution are presented in section 4.

Cox, M.↗
DOE OSTI2024

Surrogate Model Guided Optimization of Expensive Black-Box Multi-Objective Problems: A Posteriori Methods

Many engineering applications require the simultaneous optimization of multiple conflicting objective functions. Often, these objective functions are evaluated using highly accurate computer simulations that are computationally too expensive to be evaluated hundreds or thousands of times during optimization. Thus, the goal is to find good approximations of the Pareto front using as few of these expensive simulations as possible. Here, we describe an optimization approach based on surrogate models and diverse sampling strategies to accelerate the search for the Pareto solutions. We use a separate surrogate model for approximating each objective function and then we use the surrogate models to inform where additional expensive simulations should be run. The surrogate models are updated in an active learning framework whenever new information from the expensive simulations becomes available. The sampling strategies aim at balancing local improvements of the approximate Pareto front and global exploration to identify the extrema and fill in large gaps of the approximate Pareto front. We demonstrate on a large set of benchmark problems the effectiveness of the method for finding good approximations of the Pareto front.

MATHEMATICS AND COMPUTING↗
NASA NTRS2004

Parallel 3D Mortar Element Method for Adaptive Nonconforming Meshes

High order methods are frequently used in computational simulation for their high accuracy. An efficient way to avoid unnecessary computation in smooth regions of the solution is to use adaptive meshes which employ fine grids only in areas where they are needed. Nonconforming spectral elements allow the grid to be flexibly adjusted to satisfy the computational accuracy requirements. The method is suitable for computational simulations of unsteady problems with very disparate length scales or unsteady moving features, such as heat transfer, fluid dynamics or flame combustion. In this work, we select the Mark Element Method (MEM) to handle the non-conforming interfaces between elements. A new technique is introduced to efficiently implement MEM in 3-D nonconforming meshes. By introducing an "intermediate mortar", the proposed method decomposes the projection between 3-D elements and mortars into two steps. In each step, projection matrices derived in 2-D are used. The two-step method avoids explicitly forming/deriving large projection matrices for 3-D meshes, and also helps to simplify the implementation. This new technique can be used for both h- and p-type adaptation. This method is applied to an unsteady 3-D moving heat source problem. With our new MEM implementation, mesh adaptation is able to efficiently refine the grid near the heat source and coarsen the grid once the heat source passes. The savings in computational work resulting from the dynamic mesh adaptation is demonstrated by the reduction of the the number of elements used and CPU time spent. MEM and mesh adaptation, respectively, bring irregularity and dynamics to the computer memory access pattern. Hence, they provide a good way to gauge the performance of computer systems when running scientific applications whose memory access patterns are irregular and unpredictable. We select a 3-D moving heat source problem as the Unstructured Adaptive (UA) grid benchmark, a new component of the NAS Parallel Benchmarks (NPB). In this paper, we present some interesting performance results of ow OpenMP parallel implementation on different architectures such as the SGI Origin2000, SGI Altix, and Cray MTA-2.

Feng, Huiyu↗
DOE OSTI2020

Temperature trends and correlation between SQUID superparamagnetic relaxometry and dc-magnetization on model iron-oxide nanoparticles

Structural properties of iron-oxide nanoparticles deeply affect their magnetic performance in many applications such as with superparamagnetic relaxometry, when employed as cell-targeted magnetic nanoparticles for in vivo diagnostics. In this work, we present a detailed characterization of model nanoparticles for this application, with an average size of ~25 nm and a narrow size dispersion (σ < 7%). Considering the intrinsic structural properties of these model nanoparticles, the study of temperature dependence and correlation between dc-magnetization and superconducting quantum interference detector-relaxometry are discussed based on known theoretical predictions and computer simulations of the magnetic dipole moment and characteristic decay constants. Furthermore, computer simulations provide support in clarifying how important the overall collective magnetization is affected by particle size dispersion, which has a direct role on sustaining the magnetic relaxation signal in the temperature range required in preclinical and clinical settings.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗