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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Computer Science Research Needs for Parallel Discrete Event Simulation (PDES)

Historically, scientific computing efforts have demonstrated the clear need for, and effective use of, supercomputing with traditional time-stepped simulations. Nevertheless, there are several areas in the mission spaces of the U.S. Department of Energy and other agencies waiting to tap advanced computing research using a different, discrete event style of modeling, simulation, and analysis. These span a wide spectrum of applications including energy grid resilience, urban planning and policy, transportation science, building technologies, emergency response and planning, environmental impact analysis, computational epidemiology, Internet communications, cyber security, and cyber-physical systems, to name only a few. Even within traditional scientific applications, the role of discrete event modes of execution is increasing in the form of new event-based mathematical solvers such as quantized state integration methods and discrete-continuous hybrid system solvers. Co-design of advanced supercomputing hardware systems is another area that exploits discrete event simulation at its core for effective analyses. Complex systems, entity behaviors and interconnections play a significant role in all these applications, which are mapped to large-scale models with discrete event formulations. To make advancements in all the aforementioned scientific areas, many technical aspects need to be more thoroughly studied and deeply understood in parallel discrete event simulation (PDES). The unique dynamics inherent in a discrete event modeling approach, by their very nature, intersect and influence the entire stack of the computing system, including (a) the unique nature of the instruction sets exercised in PDES workloads without a predominance of high-precision floating point operations, (b) virtual time-constrained multi-threaded execution of many logical processes per processor, (c) extremely variable and difficult to predict network traffic characteristics, (d) interfaces and inter-dependencies with machine learning and artificial intelligence codes at higher software layers, and (e) highly challenging load balancing needs, especially in effectively accounting for accelerated/extremely heterogeneous computing in current and future high-performance computing systems. Efficient and accurate parallel execution of PDES workloads is also dominated by challenges in dealing with their asynchronous concurrency fundamentally present at the model level. Conservative synchronization, optimistic/speculative synchronization, and their hybrid schemes open new questions in fundamental computer science with respect to reversibility of computation and prediction (lookahead) of behaviors inherent within model codes. On the implementation front, there are relatively few scalable, general-purpose parallel discrete event simulators in the world, and even fewer have been studied on emerging hardware platforms. To enable scientific advances using PDES, the research needs in computer science must also be pursued and met in the intersection of the algorithmic and hardware-aware aspects of scalable PDES engines. This report is aimed at capturing a computer science-oriented view of this important area of research in PDES, presenting a sample of important applications with their inherent discrete event technology elements. Needs are outlined in core areas of parallel discrete event research as well as cross-cutting directions in computer science research that positively impact scientific advancements across several important application areas. A selection of priority research opportunities in advanced computing for PDES is identified to serve as reference for key research topics and their order of importance for scientific advancements.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1997

Present State of Knowledge of the Upper Atmosphere 1996: An Assessment Report to Congress and the Environmental Protection Agency

This document is issued in response to the Clean Air Act Amendment of 1990, Public Law 101-549, which mandates that the National Aeronautics and Space Administration (NASA) and other key agencies submit triennial report to congress and the Environmental Protection Agency. NASA is charged with the responsibility to report on the state of our knowledge of the Earth's upper atmosphere, particularly the Stratosphere. Part 1 of this report summarizes the objectives, status, and accomplishments of the research tasks supported under NASA's Upper Atmosphere Research Program and Atmospheric Chemistry Modeling and Analysis Program for the period of 1994-1996. Part 2 (this document) presents summaries of several scientific assessments, reviews, and summaries. These include the executive summaries of two scientific assessments: (Section B) 'Scientific Assessment of Ozone Depletion: 1994'; (Section C) 'l995 Scientific Assessment of the Atmospheric Effects of Stratospheric Aircraft); end of mission/series statements for three stratospherically-focused measurement campaigns: (Section D) 'ATLAS End-of-Series Statement'; (Section E) 'ASHOE/MAESA End-of-Mission Statement'; (Section F) 'TOTE/VOTE End-of-Mission Statement'; a summary of NASA's latest biennial review of fundamental photochemical processes important to atmospheric chemistry 'Chemical Kinetics and Photochemical Data for Use in Stratospheric Modeling'; and (Section H) the section 'Atmospheric Ozone Research" from the Mission to Planet Earth Science Research Plan, which describes NASA's current and future research activities related to both tropospheric and stratospheric chemistry.

Kurylo, M. J.↗
DOE OSTI2015

Enhancing performance assessments using the ASCEM tool-set - 15222

The Office of Soil and Groundwater Remediation within the U.S. Department of Energy's Office of Environmental Management (EM) is supporting development of the Advanced Simulation Capability for Environmental Management (ASCEM). ASCEM is an open source and modular computing framework that incorporates new advances and tools for predicting contaminant fate and transport in natural and engineered systems. ASCEM integrates modeling tools into a common work-flow that facilitates integrated approaches to modeling and site characterization, and enables robust and standardized assessments of performance and risk for EM cleanup and closure activities. The ASCEM project includes collaboration with end users engaged in performance assessments and subsurface simulation. Two working groups are engaged in performance assessment activities at the Hanford Site and Savannah River Site (SRS). The Hanford Site working group is focused on evaluating an alternative conceptual model that includes fine-scale heterogeneities. The baseline conceptual model for the performance assessment includes the large-scale stratigraphy at the site. The working group is applying the ASCEM tool-set to develop and evaluate alternative conceptual models and evaluate the effect of heterogeneities on long-term transport under rainfall-driven conditions. Because the heterogeneous models require long compute times due to increased model complexity, the simulations are implemented on a high-performance computing platform to reduce simulation times. The ASCEM Akuna work-flow enables efficient organization, simulation execution, and processing and visualization of results. Current performance assessments for waste tank closure at the SRS are limited to two-dimensional axi-symmetric representations. The SRS working group is collaborating with the site contractor to address technical review issues by resolving fine-scale tank features and simulating three-dimensional flow with Richards equation for selected closure scenarios using the ASCEM simulator, Amanzi. The Akuna tool-set is being applied to support model setup, sensitivity analysis, uncertainty quantification, and visualization. Both of the ASCEM working groups are addressing issues that cannot readily be evaluated with the existing tools. In these efforts, ASCEM is being used to provide technical underpinnings for ongoing performance assessments. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2016

Developmental regulation of RNA processing by Rbfox proteins

The Rbfox genes encode an ancient family of sequence-specific RNA binding proteins (RBPs) that are critical developmental regulators in multiple tissues including skeletal muscle, cardiac muscle, and brain. The hallmark of Rbfox proteins is a single high-affinity RRM domain, highly conserved from insects to humans, that binds preferentially to UGCAUG motifs at diverse regulatory sites in pre-mRNA introns, mRNA 3’UTRs, and pre-miRNAs hairpin structures. These versatile regulatory circuits operate on Rbfox pre-mRNA and mRNA to ensure proper expression of Rbfox1 protein isoforms, which then act on the broader transcriptome to regulate alternative splicing networks, mRNA stability and translation, and microRNA processing. Complex Rbfox expression is encoded in large genes encompassing multiple promoters and alternative splicing options that govern spatiotemporal expression of structurally distinct and tissue-specific protein isoforms with different classes of RNA targets. Nuclear Rbfox1 is a candidate master regulator that binds intronic UGCAUG elements to impact splicing efficiency of target alternative exons, many in transcripts for other splicing regulators. Tissue-specificity of Rbfox-mediated alternative splicing is executed by combinatorial regulation through the integrated activity of Rbfox proteins and synergistic or antagonistic splicing factors. Studies in animal models show that Rbfox1-related genes are critical for diverse developmental processes including germ cell differentiation and memory in Drosophila, neuronal migration and function in mouse brain, myoblast fusion and skeletal muscle function, and normal heart function. Finally, genetic and biochemical evidence suggest that aberrations in Rbfox-regulated circuitry are risk factors for multiple human disorders, especially neurodevelopmental disorders including epilepsy and autism, and cardiac hypertrophy.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Techno-economic assessment of emerging CO 2 electrolysis technologies

Recycling of waste CO 2 to bulk chemicals has a tremendous potential for the decarbonization of the chemical industry. Quantitative analysis of the prospects of this technology is hindered by the lack of flexible techno-economic assessment (TEA) models that enable evaluation of the processing costs under different deployment scenarios. In this protocol, we explain how to convert literature data into metrics useful for evaluation of the emerging electrolysis technologies, derive TEA models, and illustrate their use with a CO 2 -to-ethylene example. For complete details on the use and execution of this protocol, please refer to Barecka et al. (2021a).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Mechanics dictate where and how freshwater planarians fission

Asexual freshwater planarians reproduce by tearing themselves into two pieces by a process called binary fission. The resulting head and tail pieces regenerate within about a week, forming two new worms. Understanding this process of ripping oneself into two parts poses a challenging biomechanical problem. Because planarians stop “doing it” at the slightest disturbance, this remained a centuries-old puzzle. In this paper, we focus on Dugesia japonica fission and show that it proceeds in three stages: a local constriction (“waist formation”), pulsation—which increases waist longitudinal stresses—and transverse rupture. We developed a linear mechanical model with a planarian represented by a thin shell. The model fully captures the pulsation dynamics leading to rupture and reproduces empirical time scales and stresses. It asserts that fission execution is a mechanical process. Moreover, we show that the location of waist formation, and thus fission, is determined by physical constraints. Together, our results demonstrate that where and how a planarian rips itself apart during asexual reproduction can be fully explained through biomechanics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Final burst of the moving mirror is unrelated to the partner mode of analog Hawking radiation

Flying mirrors with appropriate trajectories have been recognized as an analog system that mimics black hole Hawking evaporation and have been widely investigated. It has recently been suggested that the partner mode of the analog Hawking radiation emitted from a moving mirror would manifest itself through a final burst when the mirror executes a sudden stop. Here, in this study, we argue the opposite via the partner formula for the moving mirror model. By expanding the theoretical foundation of the partner formula and augmenting it with numerical analysis, we demonstrate that the supposed final burst is induced by a shock that requires the input of external energy, whereas the Hawking radiation partner mode, which is associated with the zero-point vacuum fluctuations, is not responsible for the burst.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Operational Excellence through Schedule Optimization and Production Simulation of Application Specific Integrated Circuits.

Upcoming weapon programs require an aggressive increase in Application Specific Integrated Circuit (ASIC) production at Sandia National Laboratories (SNL). SNL has developed unique modeling and optimization tools that have been instrumental in improving ASIC production productivity and efficiency, identifying optimal operational and tactical execution plans under resource constraints, and providing confidence in successful mission execution. With ten products and unprecedented levels of demand, a single set of shared resources, highly variable processes, and the need for external supplier task synchronization, scheduling is an integral part of successful manufacturing. The scheduler uses an iterative multi-objective genetic algorithm and a multi-dimensional performance evaluator. Schedule feasibility is assessed using a discrete event simulation (DES) that incorporates operational uncertainty, variability, and resource availability. The tools provide rapid scenario assessments and responses to variances in the operational environment, and have been used to inform major equipment investments and workforce planning decisions in multiple SNL facilities.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

The Los Angeles 100% Renewable Energy Study (LA100): Chapter 2. Study Approach

The City of Los Angeles has set ambitious goals to transform its electricity supply, aiming to achieve a 100% renewable energy power system by 2045, along with aggressive electrification targets for buildings and vehicles. To reach these goals, and assess the implications for jobs, electricity rates, the environment, and environmental justice, the Los Angeles City Council passed a series of motions directing the Los Angeles Department of Water and Power (LADWP) to determine the technical feasibility and investment pathways of a 100% renewable energy portfolio standard. The Los Angeles 100% Renewable Energy Study (LA100) is a first-of-its-kind objective, rigorous, and science-based power systems analysis to determine what investments could be made to achieve these goals. The LA100 final report is presented as a collection of 12 chapters and an executive summary, each of which is available as an individual download. This chapter describes the LA100 study approach, including the modeling framework and scenarios.

100% Renewable↗
DOE OSTI2022

Improvements in High Temperature Gas Cooled Reactor Modeling Capabilities in the Pronghorn Code

This report details the improvement of pebble bed reactor modeling capabilities in the Pronghorn code in fiscal year 2022. The following accomplishments are reported: Deployment of weakly compressible finite volume formulation to the HTR- PM reference plan model; Enable modeling of stagnant gas gaps in the finite volume formulation; Enable using all Pronghorn correlations available in the finite element version in the finite volume version; Modeling of decay heat in pebble bed reactors; Simplifying the input for multiphysics equilibrium core calculations and significant reduction of execution time; Implementation of advanced correlations developed by the Center of Excellence for Thermal-Fluids Applications in Nuclear Energy . In addition, this report includes a development plan for Pronghorn and associated NEAMS tools for prismatic gas-cooled reactors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Assessment of Potential Dose and Environmental Impacts from Proposed Testing at the INL Radiological Response Training Range

This assessment uses screening level models to calculate potential environmental impacts from proposed tests at the Idaho National Laboratory (INL) Radiological Response Training Range (RRTR) site. Proposed tests could be conducted using 11 different radioactive material types that include K 2 O, LaBr 3 , KBr, Cu, Zr, F, Ga, Ga 2 O 3 , NaNO 2 , Ga-68, and Tc-99m. The tests could potentially release radioactive material to the atmosphere and radionuclides and other contaminants to the soil, which could leach into the unsaturated zone and migrate to the aquifer. Atmospheric transport of radionuclides to potential human receptors and time-integrated air concentrations were calculated with a Gaussian plume model and three years of hourly meteorological data. Potential surface-soil impacts were calculated with the computer program Mixing-Cell Model (MCM). Groundwater impacts were calculated with the computer programs MCM and GWSCREEN. Radiological doses from potential atmospheric releases were calculated for public receptors off the INL Site and for workers at nearby INL facilities. Results were compared to regulatory dose limits. Maximum potential groundwater concentrations were estimated in the aquifer below the NSTR site and compared to drinking water standards or risk-based screening levels for resident tap water. Soil concentrations were calculated and compared to risk-based screening levels for workers and potential future residents. All impacts were estimated based on the assumption that 12 tests are conducted annually using all 11 material types for a period of 15 years. This document provides the resources to enable a subject matter expert in the field of environmental assessments to replicate the modeling and calculations. The methodology and parameters are presented in the text. All electronic files, including computer code input, output, executable files, batch files, scripts, and spreadsheet files are contained in a zip file that can be accessed by selecting “Additional Information” (select Native File) in the INL Electronic Document Management System (EDMS).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Assessment of Potential Dose and Environmental Impacts from Proposed Testing at the INL National Security Test Range

This assessment uses screening level models to calculate potential environmental impacts from proposed tests at two locations at the Idaho National Laboratory (INL) National Security Test Range (NSTR) site. Proposed tests could be conducted using 11 different radioactive material types that include K 2 O, LaBr 3 , KBr, Cu, Zr, F, Ga, Ga 2 O 3 , NaNO 2 , Ga-68, and Tc-99m. The tests could potentially release radioactive material to the atmosphere and radionuclides and other contaminants to the soil, which could leach into the unsaturated zone and migrate to the aquifer. Atmospheric transport of radionuclides to potential human receptors and time-integrated air concentrations were calculated with a Gaussian plume model and three years of hourly meteorological data. Potential surface soil impacts were calculated with the computer program Mixing-Cell Model (MCM). Groundwater impacts were calculated with the computer programs MCM and GWSCREEN. Radiological doses from potential atmospheric releases were calculated for public receptors off the INL Site and for workers at nearby INL facilities. Results were compared to regulatory dose limits. Maximum potential groundwater concentrations were estimated in the aquifer below the NSTR site and compared to drinking water standards or risk-based screening levels for resident tap water. Soil concentrations were calculated and compared to risk-based screening levels for workers and potential future residents. All impacts were estimated based on the assumption that 12 tests are conducted annually using all 11 material types for 15 years. This document provides the resources to enable a subject matter expert in the field of environmental assessments to replicate the modeling and calculations. The methodology and parameters are presented in the text. All electronic files, including computer code input, output, executable files, batch files, scripts, and spreadsheet files, are contained in a zip file that can be accessed by selecting “Additional Information” (select Native File) in the INL Electronic Document Management System (EDMS).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Quantifying Capital Cost Reduction Pathways for Advanced Nuclear Reactors

The framework developed in this study is provided both as an excel sheet (https://inl.gov/content/uploads/2023/11/Nuclear-Reactor-Cost-Reduction-Pathway-Spreadsheet-Tool.xlsx) and a Python (Jupyter) Notebook (link: https://github.com/accert-dev/ACCERT/tree/main/Cost%20Reduction). Capital cost considerations are one of the primary inhibitors to the large-scale deployment of nuclear power plants. While it is widely accepted that first units will likely be expensive and relatively uncompetitive, it is reasonable to expect that subsequent units, built in relative quick succession, will be cheaper as they benefit from the so-called “learning effects”. However, the large degree of uncertainty associated with this parameter renders it challenging for first movers to invest in the first few expensive units. To resolve this impasse, the U.S. Department of Energy’s Advanced Nuclear Liftoff study advocated for the formation of large, committed order books of plants of the same technology to spread the costs across several units and kickstart the nuclear supply chain. The study also advocated best practices for avoiding overruns and keeping reactors on budget. This report builds on these key recommendations by attempting to quantify specific pathways toward cost reduction for nuclear energy. A capital cost estimation framework was built to untangle the effect of learning into a subset of key cost drivers, referred to as “levers”. Collectively, the choice of these levers is intended to reflect the decision-making of high-level stakeholders like plant owners and the government. In addition to the size of the firm orderbook, these levers included (a) cost drivers that are most often attributed to cost overruns such as architect/engineering (A/E) proficiency, construction proficiency, procurement service proficiency, design completion prior to the start of construction, and design maturity, and (b) cost reduction strategies such as modular construction, cross-site standardization, safety classification of the reactor building, and of the balance of plant. Two advanced reactor designs were leveraged as use cases and bottom-up cost estimates made with assumptions consistent with a well-executed first-of-a-kind project (WE-FOAK, i.e., almost no overruns) were used as baselines for the models. Cost correlations were surveyed from the literature to determine the impact of important variables on projected timelines and costs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Developing and Evaluating a Smart Curtailment Strategy Integrated with a Wind Turbine Manufacturer Platform

The Renewable Energy Wildlife Institute lead a team of scientists, wind developers, and turbine manufacturers in a study to develop and test a “smart curtailment” system intended to help reduce bat collisions with wind turbines. The Vestas Bat Protection System (VBPS) is a newly developed software module within the Supervisory Control and Data Acquisition (SCADA) system of Vestas turbines. The VBPS combines data from commercially available environmental sensors and the turbine’s built-in sensors with the Vestas SCADA system. VBPS is designed to receive environmental data from sensors on the turbine such as temperature, wind speed, wind direction, time of day, and time of year, relays that information to the SCADA system to determine whether to execute turbine curtailments at any given time. The goals of this study were to 1) develop a bat fatality risk model based on bat activity data and environmental data collected in year 1, and to 2) evaluate the VBPS, using the bat fatality risk model to implement curtailment, in comparison to “blanket curtailment” (turbines curtailed when wind speed is below 5.0 meters per second (m/s)) and “control” (normally operating, feathered below 3.0 m/s) turbines in year 2. The field study took place at a wind energy facility in Iowa during the fall bat migration seasons (July – October) in 2021 and 2022. For VBPS to succeed as a viable strategy for the minimization of bat fatalities, it should meet or exceed the performance of blanket curtailment. Specifically, the VBPS should meet the following performance targets to demonstrate whether it an effective, practical risk reduction measure: (1) Turbines operating VBPS should have equal or fewer bat fatalities compared to turbines operating with blanket curtailment, and significantly fewer bat fatalities compared to control turbines; and (2) Turbines operating VBPS should have greater power production compared to turbines operating with blanket curtailment. The study was completed in accordance with the Statement of Project Objectives and within the terms of the Budget Justification. This Final Report describes the progress, challenges, and outcomes of the study.

17 WIND ENERGY↗
NASA NTRS1983

PIFCGT: A PIF autopilot design program for general aviation aircraft

This report documents the PIFCGT computer program. In FORTRAN, PIFCGT is a computer design aid for determing Proportional-Integral-Filter (PIF) control laws for aircraft autopilots implemented with a Command Generator Tracker (CGT). The program uses Linear-Quadratic-Regulator synthesis algorithms to determine feedback gains, and includes software to solve the feedforward matrix equation which is useful in determining the command generator tracker feedforward gains. The program accepts aerodynamic stability derivatives and computes the corresponding aerodynamic linear model. The nine autopilot modes that can be designed include four maneuver modes (ROLL SEL, PITCH SEL, HDG SEL, ALT SEL), four final approach models (APR GS, APR LOCI, APR LOCR, APR LOCP), and a BETA HOLD mode. The program has been compiled and executed on a CDC computer.

Broussard, J. R.↗
NASA NTRS1988

A method of measuring fault latency in a digital flight control system

This paper describes the motivation, conduct, and analysis of some 2500 low-level hardware fault cases applied in automated testing at the NASA Ames Reconfigurable Digital Flight Control System Facility. Fault detection was correlated with hardware and software fault monitoring and, in limited cases, with sensitivity to flight program execution modes. The results are statistically assessed to ascertain system-level reliability implications based on a single-fault model. Extension to multiple-fault models is addressed. The overall methodology/facility itself is judged to be a promising enhancement to current practice.

Mcgough, John↗
NASA NTRS1989

Tools for 3D scientific visualization in computational aerodynamics at NASA Ames Research Center

Hardware, software, and techniques used by the Fluid Dynamics Division (NASA) for performing visualization of computational aerodynamics, which can be applied to the visualization of flow fields from computer simulations of fluid dynamics about the Space Shuttle, are discussed. Three visualization techniques applied, post-processing, tracking, and steering, are described, as well as the post-processing software packages used, PLOT3D, SURF (Surface Modeller), GAS (Graphical Animation System), and FAST (Flow Analysis software Toolkit). Using post-processing methods a flow simulation was executed on a supercomputer and, after the simulation was complete, the results were processed for viewing. It is shown that the high-resolution, high-performance three-dimensional workstation combined with specially developed display and animation software provides a good tool for analyzing flow field solutions obtained from supercomputers.

Bancroft, Gordon↗
NASA NTRS1991

Performance Analysis of Garbage Collection and Dynamic Reordering in a Lisp System

Generation based garbage collection and dynamic reordering of objects are two techniques for improving the efficiency of memory management in Lisp and similar dynamic language systems. An analysis of the effect of generation configuration is presented, focusing on the effect of a number of generations and generation capabilities. Analytic timing and survival models are used to represent garbage collection runtime and to derive structural results on its behavior. The survival model provides bounds on the age of objects surviving a garbage collection at a particular level. Empirical results show that execution time is most sensitive to the capacity of the youngest generation. A technique called scanning for transport statistics, for evaluating the effectiveness of reordering independent of main memory size, is presented.

Llames, Rene Lim↗