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At least 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Ab Initio Molecular Dynamics Analysis of Xenon Incorporation in Uranium Dioxide

The fission process in nuclear fuel produces volatile fission product gases, such as xenon, that migrate out of the fuel and into surrounding structures. Consequently, these fission product gases may affect thermal performance and integrity of the fuel. Fission gas release models, used in modern fuel performance codes such as BISON, are currently under investigation to improve their accuracy and ability to simulate the fission gas release phenomenon and its consequences. For uranium dioxide (UO{sub 2}), the most commonly used fuel in commercial power reactors, fission gas release models are known to have significant uncertainties. In the interest of improving such models, several complex diffusional mechanisms have been examined using a variety of techniques such as Nudge Elastic Band (NEB), utilizing both Density Functional Theory (DFT) and semi-empirical inter-atomic potential functions. One proposed diffusion mechanism in UO{sub 2} is through tetra-vacancy (i.e., 2U{sub V} + 2O{sub V}) structures, which is expected to provide a suitable means for the incorporation and diffusion of xenon in the fuel crystal. In this work, a model was developed to study the incorporation of xenon in UO{sub 2} via a tetra-vacancy using ab initio molecular dynamics (AIMD). This is a first principles technique that abandons the use empirical force fields as usually is the case of classical MD analysis. Furthermore, in contrast with static transition analysis tools such as NEB, AIMD is able to capture the dynamics of a given process. The translation of xenon within a tetra-vacancy has been investigated using ab-initio molecular dynamics. The transition frequency, barrier energy, and incorporation energy were extracted from the model, demonstrating its ability to capture a variety of parameters and its potential for use in studying fission gas diffusive behavior. Future refinements to the model will seek to develop additional insight into Xe and Kr mobility and will likely involve executing more elaborate AIMD simulations to investigate this phenomenon. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Automated Calibration of Parallel and Distributed Computing Simulators: A Case Study

Many parallel and distributed computing research results are obtained in simulation, using simulators that mimic real-world executions on some target system. Each such simulator is configured by picking values for parameters that define the behavior of the underlying simulation models it implements. The main concern for a simulator is accuracy: simulated behaviors should be as close as possible to those observed in the real-world target system. This requires that values for each of the simulator's parameters be carefully picked, or “calibrated,” based on ground-truth real-world executions. Examining the current state of the art shows that simulator calibration, at least in the field of parallel and distributed computing, is often undocumented (and thus perhaps often not performed) and, when documented, is described as a labor-intensive, manual process. In this work we evaluate the benefit of automating simulation calibration using simple algorithms. Specifically, we use a real-world case study from the field of High Energy Physics and compare automated calibration to calibration performed by a domain scientist. Our main finding is that automated calibration is on par with or significantly outperforms the calibration performed by the domain scientist. Furthermore, automated calibration makes it straightforward to operate desirable tradeoffs between simulation accuracy and simulation speed.

Mc donald, Jesse↗
DOE OSTI2017

The CPAT 2.0.2 Domain Model - How CPAT 2.0.2 "Thinks" From an Analyst Perspective.

To help effectively plan the management and modernization of their large and diverse fleets of vehicles, the Program Executive Office Ground Combat Systems (PEO GCS) and the Program Executive Office Combat Support and Combat Service Support (PEO CS &CSS) commissioned the development of a large - scale portfolio planning optimization tool. This software, the Capability Portfolio Analysis Tool (CPAT), creates a detailed schedule that optimally prioritizes the modernization or replacement of vehicles within the fleet - respecting numerous business rules associated with fleet structure, budgets, industrial base, research and testing, etc., while maximizing overall fleet performance through time. This report contains a description of the organizational fleet structure and a thorough explanation of the business rules that the CPAT formulation follows involving performance, scheduling, production, and budgets. This report, which is an update to the original CPAT domain model published in 2015 (SAND2015 - 4009), covers important new CPAT features. This page intentionally left blank

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Architecture-Aware Models of AI Engines for High-Performance Matrix Matrix Multiplication

The AI Engine (AIE) architecture, available in systems from mobile SoCs to server-class FPGAs, aims to efficiently execute AI/ML tasks through a two-dimensional array of compute tiles. Previous work on AIEs has explored different approaches to mapping computation across spatial arrays, but the compute kernel running on each tile has not been the focus. Additionally, the AIE-ML architecture introduces memory tiles and omits programmable logic, requiring new approaches to staging and moving data throughout the array. In this work we update analytical models developed for CPUs to produce the design of high performance kernels while introducing new model considerations such as memory structure, throughput, and latency as required by the AIE hardware. We evaluate our models by developing AIE-ML kernels for matrix multiplication in low-precision data types showing performance up to 95% of compute peak for the kernel when data resides in local memory and above 90% of compute peak when data resides in main memory.

Binder, Elliott D. [Carnegie Mellon University, Pi↗
DOE OSTI2018

Use of High-Throughput Automated Microbioreactor System for Production of Model IgG1 in CHO Cells

Automated microscale bioreactors (15 mL) can be a useful tool for cell culture engineers. They facilitate the simultaneous execution of a wide variety of experimental conditions while minimizing potential process variability. Applications of this approach include: clone screening, temperature and pH shifts, media and supplement optimization. Furthermore, the small reactor volumes are conducive to large Design of Experiments that investigate a wide range of conditions. This allows upstream processes to be significantly optimized before scale-up where experimentation is more limited in scope due to time and economic constraints. Automated microscale bioreactor systems offer various advantages over traditional small scale cell culture units, such as shake flasks or spinner flasks. However, during pilot scale process development significant care must be taken to ensure that these advantages are realized. When run with care, the system can enable high level automation, can be programmed to run DOE's with a higher number of variables and can reduce sampling time when integrated with a nutrient analyzer or cell counter. Integration of the expert-derived heuristics presented here, with current automated microscale bioreactor experiments can minimize common pitfalls that hinder meaningful results. In the extreme, failure to adhere to the principles laid out here can lead to equipment damage that requires expensive repairs. Furthermore, the microbioreactor systems have small culture volumes making characterization of cell culture conditions difficult. The number and amount of samples taken in-process in batch mode culture is limited as operating volumes cannot fall below 10 mL. This method will discuss the benefits and drawbacks of microscale bioreactor systems.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1980

Technology requirements for future Earth-to-geosynchronous orbit transportation systems. Volume 1: Executive summary

Technologies including accelerated technology that are critical to performance and/or provide cost advantages for future space transportation systems are identified. Mission models are scoped and include priority missions, and cargo missions. Summary data, providing primary design concepts and features, are given for the SSTO, HLLV, POTV, and LCOTV vehicles. Significant system costs and total system costs in terms of life cycle costs in both discounted and undiscounted dollars are summarized for each of the vehicles.

Caluori, V. A.↗
NASA NTRS1984

Advanced technology satellites in the commercial environment. Volume 1: Executive summary

A set of scenarios, based on a set of traffic demand forecasts is postulated. The scenarios use a demand-driven model to launch satellites, with other limits on the available (and economical) technology. The results using a low traffic forecast show a continuing oversupply of transponders. However, the scenarios using a high traffic forecast show that considerable advanced technology including the use of 30/20 GHz is needed to satisfy demand.

Source record↗
DOE OSTI2020

Land Model Testbed: Accelerating Development, Benchmarking and Analysis of Land Surface Models

A Land Model Testbed (LMT), designed to provide a computational framework for systematically assessing model fidelity and supporting rapid development of complex multiscale models, offers a general-purpose workflow for conducting large ensemble simulations of multiple land surface models, post-processing large volumes of model output, and evaluating model results. It leverages existing tools for launching model simulations and the International Land Model Benchmarking (ILAMB) package for assessing model fidelity through comparison with best-available observational datasets. Increased complexity and proliferation of uncertain parameters in process representations in land surface models has driven the need for frequent and intensive testing and evaluating of models to quantify uncertainties and optimize parameters such that results are consistent with observations. The LMT described here meets these needs by providing tools to run thousands of ensemble simulations simultaneously and post-process their output files, by automating execution of an enhanced version of ILAMB with site-specific benchmarks and multivariate functional relationships, and by offering ensemble diagnostics and a customizable dashboard for displaying model performance metrics and associated graphics. We envision the LMT capabilities will serve as a foundational computational resource for a proposed user facility focused on terrestrial multiscale model--data integration.

Sreepathi, Sarat↗
NASA NTRS2000

An Unsteady Long Bearing Squeeze Film Damper Model: Statically Eccentric Operation - Part 2

This paper, the second of a two-part series, presents results of an unsteady rotordynamic analysis of a long-bearing squeeze film damper executing orbits about an off center position using a fluid circuit approach. A series of nodes and branches represent the geometry of the flow circuit. The mass and momentum conservation equations are solved to predict the pressure distribution in the squeeze film. The motion of the bearing is simulated by the variation of geometry within the flow path. This effort represents the first modeling approach which allows for an arbitrary orbit size about an arbitrary position.

Schallhorn, P. A.↗
DOE OSTI2015

Executing BISON-CASL Fuel Performance Cases Using VERA-CS Output

As the Consortium for Advanced Simulation of Light Water Reactors (CASL) moves forward with more complex multiphysics simulations, there is increased focus on incorporating fuel performance analysis methods. The coupled neutronics/thermal-hydraulics capabilities within the Virtual Environment for Reactor Applications Core Simulator (VERA-CS) have become relatively stable and major advances have been made in analysis efforts, including the simulations of twelve cycles of Watts Bar Nuclear Unit 1 (WBN1) operation. However, VERA-CS approaches for treating fuel pin heat transfer have well-known limitations that could be eliminated through better integration with the BISON-CASL fuel performance code. Several approaches are being taken to improve or replace the VERA-CS fuel models and improve integration with BISON-CASL. Tiamat is being developed to replace the fuel models with a direct coupling of BISON-CASL and the neutronics and coolant heat transfer of VERA-CS. Tiamat will execute in an inline mode that allows for in-memory transfer of VERA-CS data to BISON-CASL. This will provide fuel performance results during core simulation. However, fuel performance typically undergoes an independent analysis using a stand-alone fuel performance code with manually specified input defined from an independent core simulator solution or set of assumptions. This milestone covers initial efforts to facilitate using VERA for core simulation and fuel performance to operate in this mode of execution. This approach will be used for several CASL fuel performance challenges, such as RIAs and DNB. These issues require time-dependent full core results to establish the boundary conditions for the high-fidelity BISON-CASL simulations. The approach will also be used to improve fuel temperature models in VERA-CS, guide the development of Tiamat, and simplify the use of BISON-CASL within VERA for industry users.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2014

Terminal Area Simulation System User's Guide - Version 10.0

The Terminal Area Simulation System (TASS) is a three-dimensional, time-dependent, large eddy simulation model that has been developed for studies of wake vortex and weather hazards to aviation, along with other atmospheric turbulence, and cloud-scale weather phenomenology. This document describes the source code for TASS version 10.0 and provides users with needed documentation to run the model. The source code is programed in Fortran language and is formulated to take advantage of vector and efficient multi-processor scaling for execution on massively-parallel supercomputer clusters. The code contains different initialization modules allowing the study of aircraft wake vortex interaction with the atmosphere and ground, atmospheric turbulence, atmospheric boundary layers, precipitating convective clouds, hail storms, gust fronts, microburst windshear, supercell and mesoscale convective systems, tornadic storms, and ring vortices. The model is able to operate in either two- or three-dimensions with equations numerically formulated on a Cartesian grid. The primary output from the TASS is time-dependent domain fields generated by the prognostic equations and diagnosed variables. This document will enable a user to understand the general logic of TASS, and will show how to configure and initialize the model domain. Also described are the formats of the input and output files, as well as the parameters that control the input and output.

Switzer, George F.↗
DOE OSTI2025

Implementing Directive-Based Deferred Execution for Effective Network Aggregation

Remote direct memory access technology provides an efficient mechanism for one-sided communication that can be leveraged to implement a distributed shared memory programming model. However, when applications generate large numbers of small, irregular messages, network congestion often arises. Existing solutions address this small message problem by facilitating message aggregation but typically require disruptive code transformations that detract from the algorithmic intent of applications, or can be limited by dependent operations on aggregated data between synchronisation points. A solution is to use a directive-assisted approach that enables compilers to transform code dependent on aggregated communication for deferred execution. This paper presents an algorithm that a compiler can use to implement and optimise deferred execution for code dependent on aggregated data, based on an "aggregation context" extension for the OpenSHMEM partitioned global address space library. This new capability addresses a key challenge of message aggregation, allowing its full potential to reduce network congestion and enhance programmability to be realised.

Welch, Aaron [ORNL]↗
NASA NTRS1992

The multiple-function multi-input/multi-output digital controller system for the AFW wind tunnel model

A real-time multiple-function digital controller system was developed for the Active Flexible Wing (AFW) Program. The digital controller system (DCS) allowed simultaneous execution of two control laws: flutter suppression and either roll trim or a rolling maneuver load control. The DCS operated within, but independently of, a slower host operating system environment, at regulated speeds up to 200 Hz. It also coordinated the acquisition, storage, and transfer of data for near real-time controller performance evaluation and both open- and closed-loop plant estimation. It synchronized the operation of four different processing units, allowing flexibility in the number, form, functionality, and order of control laws, and variability in selection of sensors and actuators employed. Most importantly, the DCS allowed for the successful demonstration of active flutter suppression to conditions approximately 26 percent (in dynamic pressure) above the open-loop boundary in cases when the model was fixed in roll and up to 23 percent when it was free to roll. Aggressive roll maneuvers with load control were achieved above the flutter boundary.

Hoadley, Sherwood T.↗
NASA NTRS2019

Bumper: A Tool for Analyzing Spacecraft Micrometeoroid and Orbital Debris Risk

“Bumper” is NASA’s computer program for analyzing spacecraft micrometeoroid and orbital debris (MMOD) risk. Bumper was developed in the late-1980s and has been continuously used and maintained since. The user base has grown from a few government entities to now include numerous commercial entities as well. The NASA Johnson Space Center (JSC) Hypervelocity Impact Technology (HVIT) Team is responsible for all aspects of the Bumper software. Bumper has been used to characterize MMOD risk on hundreds of spacecraft. All of the International Space Station (ISS) modules, visiting vehicles and numerous external components and systems have been analyzed. Bumper was used to analyze each of the Space Shuttle missions since STS-50. The Orion Multi-Purpose Crew Vehicle (MPCV) MMOD shielding is being developed using Bumper as well. Bumper has also been used on numerous telescopes (Hubble, James Webb, and Fermi Gamma-ray Space Telescopes), scientific probes (Stardust, New Horizons, Parker Solar Probe), and Earth observation satellites (Landsat, Joint Polar Satellite System). Bumper is also being used to analyze the micrometeoroid risk and support design of the Deep Space Gateway (DSG) and Mars Sample Return (MSR) missions. The HVIT Bumper Configuration Control Board (CCB) ensures that all changes to the code are approved, reviewed, and documented. Most of the changes are made to add new MMOD damage “ballistic limit equations” (BLEs). BLEs are typically added in response to completion of a hypervelocity impact (HVI) test series and development of an associated BLE. Other less frequent changes include updates of the debris or meteoroid environment models, feature enhancements, and feature retirement. Some BLEs are commercially sensitive and/or proprietary, so the CCB also manages code user-version control and software distribution. The current version – “Bumper 3” – is a FORTRAN executable that utilizes a 64-bit architecture. Bumper 3 has numerous features that make it a powerful tool for analyzing spacecraft MMOD risk. Bumper uses the latest orbital debris and micrometeoroid environment models. Bumper also easily processes large spacecraft geometry models, recognizes hidden surfaces, permits BLE assignment by name or number, and conducts quality checks of the spacecraft geometry model. Bumper 3 can also be used to estimate the effects of particle penetration through thin, high-standoff distance hardware components such as solar arrays and radiators. This is done using a special HVIT-developed technique know as the “3-Part Analysis.” The paper introduces the Bumper 3 MMOD risk analysis code and provides an example MMOD risk assessment showing Bumper’s role in the overall MMOD protection design process.

Lear, Dana M.↗
DOE OSTI2022

Design and analysis of CXL performance models for tightly-coupled heterogeneous computing

Truly heterogeneous systems enable partitioned workloads to be mapped to the hardware that nets the best performance. However, current practice requires that inter-device communication between different vendors' hardware use host memory as an intermediary step. To date, there are no widely adopted solutions that allow accelerators to directly transfer data. A new cache-coherent protocol, CXL, aims to facilitate easier, fine-grained sharing between accelerators. In this work we analyze existing methods for designing heterogeneous applications that target GPUs and FPGAs working collaboratively, followed by an exploration to show the benefits of a CXL-enabled system. Specifically, we develop a test application that utilizes both an NVIDIA P100 GPU and a Xilinx U250 FPGA to show current communication limitations. From this application, we capture overall execution time and throughput measurements on the FPGA and GPU. We use these measurements as inputs to novel CXL performance models to show that using CXL caching instead of host memory results in a 1.31X speedup, while a more tightly-coupled pipelined implementation using CXL-enabled hardware would result in a speedup of 1.45X.

Cabrera, Anthony↗
DOE OSTI2021

Scalable In Situ Computation of Lagrangian Representations via Local Flow Maps

In situ computation of Lagrangian flow maps to enable post hoc time-varying vector field analysis has recently become an active area of research. However, the current literature is largely limited to theoretical settings and lacks a solution to address scalability of the technique in distributed memory. To improve scalability, we propose and evaluate the benefits and limitations of a simple, yet novel, performance optimization. Our proposed optimization is a communication-free model resulting in local Lagrangian flow maps, requiring no message passing or synchronization between processes, intrinsically improving scalability, and thereby reducing overall execution time and alleviating the encumbrance placed on simulation codes from communication overheads. To evaluate our approach, we computed Lagrangian flow maps for four time-varying simulation vector fields and investigated how execution time and reconstruction accuracy are impacted by the number of GPUs per compute node, the total number of compute nodes, particles per rank, and storage intervals. Our study consisted of experiments computing Lagrangian flow maps with up to 67M particle trajectories over 500 cycles and used as many as 2048 GPUs across 512 compute nodes. In all, our study contributes an evaluation of a communication-free model as well as a scalability study of computing distributed Lagrangian flow maps at scale using in situ infrastructure on a modern supercomputer.

Sane, Sudhanshu↗
NASA NTRS2005

Model Checking Real Time Java Using Java PathFinder

The Real Time Specification for Java (RTSJ) is an augmentation of Java for real time applications of various degrees of hardness. The central features of RTSJ are real time threads; user defined schedulers; asynchronous events, handlers, and control transfers; a priority inheritance based default scheduler; non-heap memory areas such as immortal and scoped, and non-heap real time threads whose execution is not impeded by garbage collection. The Robust Software Systems group at NASA Ames Research Center has JAVA PATHFINDER (JPF) under development, a Java model checker. JPF at its core is a state exploring JVM which can examine alternative paths in a Java program (e.g., via backtracking) by trying all nondeterministic choices, including thread scheduling order. This paper describes our implementation of an RTSJ profile (subset) in JPF, including requirements, design decisions, and current implementation status. Two examples are analyzed: jobs on a multiprogramming operating system, and a complex resource contention example involving autonomous vehicles crossing an intersection. The utility of JPF in finding logic and timing errors is illustrated, and the remaining challenges in supporting all of RTSJ are assessed.

Lindstrom, Gary↗
NASA NTRS1994

Operator procedure verification with a rapidly reconfigurable simulator

Generating and testing procedures for controlling spacecraft subsystems composed of electro-mechanical and computationally realized elements has become a very difficult task. Before a spacecraft can be flown, mission controllers must envision a great variety of situations the flight crew may encounter during a mission and carefully construct procedures for operating the spacecraft in each possible situation. If, despite extensive pre-compilation of control procedures, an unforeseen situation arises during a mission, the mission controller must generate a new procedure for the flight crew in a limited amount of time. In such situations, the mission controller cannot systematically consider and test alternative procedures against models of the system being controlled, because the available simulator is too large and complex to reconfigure, run, and analyze quickly. A rapidly reconfigurable simulation environment that can execute a control procedure and show its effects on system behavior would greatly facilitate generation and testing of control procedures both before and during a mission. The How Things Work project at Stanford University has developed a system called DME (Device Modeling Environment) for modeling and simulating the behavior of electromechanical devices. DME was designed to facilitate model formulation and behavior simulation of device behavior including both continuous and discrete phenomena. We are currently extending DME for use in testing operator procedures, and we have built a knowledge base for modeling the Reaction Control System (RCS) of the space shuttle as a testbed. We believe that DME can facilitate design of operator procedures by providing mission controllers with a simulation environment that meets all these requirements.

Iwasaki, Yumi↗