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Baseline Assessment of TREAT for Modeling and Analysis Needs

TREAT is an air-cooled, graphite moderated, thermal, heterogeneous test facility designed to evaluate reactor fuels and structural materials under conditions simulating various types of nuclear excursions and transient undercooling situations that could occur in a nuclear reactor. After 21 years in a standby mode, TREAT is being re-activated to revive transient testing capabilities. Given the time elapsed and the concurrent loss of operating experience, current generation and advanced computational methods are being applied to begin TREAT modeling and simulation prior to renewed at-power operations. Such methods have limited value in predicting the behavior of TREAT without proper validation. Hence, the U.S. DOE has developed a number of programs to support development of benchmarks for both critical and transient operations. Extensive effort has been expended at INL to collect detailed descriptions, drawings and specifications for all aspects of TREAT, and to resolve conflicting data found through this process. This report provides a collection of these data, with updated figures that are significantly more readable than historic drawings and illustrations, compositions, and dimensions based on the best available sources. This document is not nor should it be considered to be a benchmark report. Rather, it is intended to provide one-stop shopping, to the extent possible, for other work that seeks to prepare detailed, accurate models of the core and its components. Given the nature of the variety of historic documents available and the loss of institutional memory, the only completely accurate database of TREAT data is TREAT itself. Unfortunately, disassembly of TREAT for inspection, assay, and measurement is highly unlikely. Hence the data provided herein is intended serve as a best-estimate substitute.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Nuclear Engine System Simulation (NESS). Version 2.0: Program user's guide

This Program User's Guide discusses the Nuclear Thermal Propulsion (NTP) engine system design features and capabilities modeled in the Nuclear Engine System Simulation (NESS): Version 2.0 program (referred to as NESS throughout the remainder of this document), as well as its operation. NESS was upgraded to include many new modeling capabilities not available in the original version delivered to NASA LeRC in Dec. 1991, NESS's new features include the following: (1) an improved input format; (2) an advanced solid-core NERVA-type reactor system model (ENABLER 2); (3) a bleed-cycle engine system option; (4) an axial-turbopump design option; (5) an automated pump-out turbopump assembly sizing option; (6) an off-design gas generator engine cycle design option; (7) updated hydrogen properties; (8) an improved output format; and (9) personal computer operation capability. Sample design cases are presented in the user's guide that demonstrate many of the new features associated with this upgraded version of NESS, as well as design modeling features associated with the original version of NESS.

Pelaccio, Dennis G.↗

The effect of sensor spacing on wind measurements at the Shuttle Landing Facility

This document presents results of a field study of the effect of sensor spacing on the validity of wind measurements at the Space Shuttle landing Facility (SLF). Standard measurements are made at one second intervals from 30 foot (9.1m) towers located 500 feet (152m) from the SLF centerline. The centerline winds are not exactly the same as those measured by the towers. This study quantifies the differences as a function of statistics of the observed winds and distance between the measurements and points of interest. The field program used logarithmically spaced portable wind towers to measure wind speed and direction over a range of conditions. Correlations, spectra, moments, and structure functions were computed. A universal normalization for structure functions was devised. The normalized structure functions increase as the 2/3 power of separation distance until an asymptotic value is approached. This occurs at spacings of several hundred feet (about 100m). At larger spacings, the structure functions are bounded by the asymptote. This enables quantitative estimates of the expected differences between the winds at the measurement point and the points of interest to be made from the measured wind statistics. A procedure is provided for making these estimates.

Merceret, Francis J.↗

Detailed Experimental Data for CFD Code Validation

Recent interest in low cost, reliable access to space has generated increased interest in advanced technology approaches to space transportation systems. A key to the success of such programs lies in the development of advanced propulsion systems capable of achieving the performance and operations goals required for the next generation of space vehicles. One extremely promising approach involves the combination of rocket and air-breathing engines into a rocket-based combined-cycle engine (RBCC). A key element of that engine is the rocket ejector that is utilized in the zero to Mach two operating regime. Studies of RBCC engine concepts are not new and studies dating back thirty years are well documented in the literature. However, studies focused on the rocket ejector mode of the RBCC cycle are lacking. The present investigation utilizes an integrated experimental and computation fluid dynamics (CFD) approach to examine critical rocket ejector performance issues. In particular, the development of a predictive methodology capable of performance prediction is a key objective in order to analyze thermal choking and its control, primary/secondary pressure matching considerations, and effects of nozzle expansion ratio. To achieve this objective, the present study emphasizes obtaining new data using advanced optical diagnostics such as Schlieren photography and Raman spectroscopy, and CFD techniques to investigate mixing in the rocket ejector mode. A new research facility for the study of the rocket ejector mode has been developed. In the last milestone report, the operational capabilities of this research facility were described. In this milestone report, the experimentally obtained measurements for CFD code validation are presented and discussed.

Santoro, Robert J.↗

Design knowledge capture for a corporate memory facility

Currently, much of the information regarding decision alternatives and trade-offs made in the course of a major program development effort is not represented or retained in a way that permits computer-based reasoning over the life cycle of the program. The loss of this information results in problems in tracing design alternatives to requirements, in assessing the impact of change in requirements, and in configuration management. To address these problems, the problem was studied of building an intelligent, active corporate memory facility which would provide for the capture of the requirements and standards of a program, analyze the design alternatives and trade-offs made over the program's lifetime, and examine relationships between requirements and design trade-offs. Early phases of the work have concentrated on design knowledge capture for the Space Station Freedom. Tools are demonstrated and extended which helps automate and document engineering trade studies, and another tool is being developed to help designers interactively explore design alternatives and constraints.

Boose, John H.↗

SPASIM: A Spacecraft Simulator

The SPAcecraft SIMulator (SPASIM) simulates the functions and resources of a spacecraft to quickly perform conceptual design (Phase A) trade-off and sensitivity analyses and uncover any operational bottlenecks during any part of the mission. Failure modes and operational contingencies can be evaluated allowing operational planning (what-if scenarios) and optimization for a range of mission scenarios. The payloads and subsystems are simulated, using a hierarchy of graphical models, in terms of how their functions affect resources such as propellant, power, and data. Any of the inputs and outputs of the payloads and subsystems can be plotted during the simulation or stored in a file so they can be used by other programs. Most trade-off analyses, including those that compare current versus advanced technology, can be performed by changing values in the parameter menus. However, when a component is replaced by one with a different functional architecture, its graphical model can also be modified or replaced by drawing from a component library. SPASIM has been validated using several spacecraft designs that were at least at the Critical Design Review level. The user and programmer guide, including figures, is available on line as a hypertext document. This is an easy-to-use and expandable tool which is based on MATLAB(R) and SIMULINK(R). It runs on Silicon Graphics Inc. workstations and personal computers with Windows 95(TM) or NT(TM).

Liceaga, Carlos A.↗

New Software for Ensemble Creation in the Spitzer-Space-Telescope Operations Database

Some of the computer pipelines used to process digital astronomical images from NASA's Spitzer Space Telescope require multiple input images, in order to generate high-level science and calibration products. The images are grouped into ensembles according to well documented ensemble-creation rules by making explicit associations in the operations Informix database at the Spitzer Science Center (SSC). The advantage of this approach is that a simple database query can retrieve the required ensemble of pipeline input images. New and improved software for ensemble creation has been developed. The new software is much faster than the existing software because it uses pre-compiled database stored-procedures written in Informix SPL (SQL programming language). The new software is also more flexible because the ensemble creation rules are now stored in and read from newly defined database tables. This table-driven approach was implemented so that ensemble rules can be inserted, updated, or deleted without modifying software.

Spitzer Science Center (SSC)↗

NASA's Implementation of Cloud Services for Human Space Flight

Cloud is a tried-and-true technology used throughout United States government agencies, including the National Aeronautics and Space Administration (NASA). With reliable results and infrequent downtimes, cloud allows for secure remote access, customizability, and streamlined monitoring options, creating an environment for better data integrity and availability. As NASA increasingly migrates functions to the cloud, the Space Communications and Navigation Program (SCaN) program has been investigating how this capability can be leveraged to provide communication services to its users and customers. Currently, missions such as NASA-ISRO Synthetic Aperture Radar (NISAR), Plankton, Aerosol, Cloud, ocean Ecosystem (PACE), and Roman Space Telescope (RST) are planned to incorporate cloud into their data delivery architecture. However, SCaN is looking to expand further. This conversion to using cloud services allows for greater availability of mission data for both robotic and human space flight (HSF)missions. The SCaN program and the Near Space Network (NSN) are working to consolidate resources and create a cloud environment suitable for the entirety of the SCaN program network architecture. SCaN is in the process of finalizing its cloud architecture and soon will be implementing cloud services. The new services used will adhere to federal regulations including Federal Risk and Authorization Management Program (FedRAMP), which is built upon National Institute of Standards and Technology (NIST)documentation. While keeping in mind these security requirements, an auxiliary objective of the cloud integration is to ensure the most cost-efficient solution; providing a scalable, robust and resilient system. Using cloud services, NASA will gain access to better centralized monitoring and management features, along with customizable services on a pay-per-use plan. With the ever-growing NASA mission data volume needs, maintaining ample storage space is another major constraint. Processing and storing such large amounts of data, on the order of terabytes a day, requires dynamic processing capability which is inherently a strength of cloud computing. By routing this data from ground stations through the cloud, there will be greater ease of access for both SCaN and the user community. Artificial intelligence and other built-in cloud functions can also enhance efficiency, improving data processing time. Thereby also allowing for better data availability. As we look to the future of cloud services, NASA will continue to leverage capabilities that will benefit NASA’s ability to provide cost-effective communication services. This paper further outlines the evolution of cloud use by SCaN in the context of Human Space Flight.

cloud storage↗

Nuclear-Renewable Hybrid Energy Systems: 2016 Technology Development Program Plan

The United States is in the midst of an energy revolution, spurred by advancement of technology to produce unprecedented supplies of oil and natural gas. Simultaneously, there is an increasing concern for climate change attributed to greenhouse gas (GHG) emissions that, in large part, result from burning fossil fuels. An international consensus has concluded that the U.S. and other developed nations have an imperative to reduce GHG emissions to address these climate change concerns. The global desire to reduce GHG emissions has led to the development and deployment of clean energy resources and technologies, particularly renewable energy technologies, at a rapid rate. At the same time, each of the major energy sectors—the electric grid, industrial manufacturing, transportation, and the residential/commercial consumers— is increasingly becoming linked through information and communications technologies, advanced modeling and simulation, and controls. Coordination of clean energy generation technologies through integrated hybrid energy systems, as defined below, has the potential to further revolutionize energy services at the system level by coordinating the exchange of energy currency among the energy sectors in a manner that optimizes financial efficiency (including capital investments), maximizes thermodynamic efficiency (through best use of exergy, which is the potential to use the available energy in producing energy services), reduces environmental impacts when clean energy inputs are maximized, and provides resources for grid management. Rapid buildout of renewable technologies has been largely driven by local, state, and federal policies, such as renewable portfolio standards and production tax credits that incentivize investment in these generation sources. A foundational assumption within this program plan is that renewable technologies will continue to be major contributors to the future U.S. energy infrastructure. While increased use of clean renewable technologies will aid in achieving reduced GHG emissions, it also presents new challenges to grid management that must be addressed. These challenges primarily derive from the fundamental characteristics of variable renewable generators, such as wind and solar: non-dispatchability, variable production, and reduced electromechanical inertia. This document presents a preliminary research and development (R&D) plan for detailed dynamic simulation and analysis of nuclear-renewable hybrid energy systems (N-R HES), coupled with integrated energy system design, component development, and integrated systems testing. N-R HES are cooperatively-controlled systems that dynamically apportion thermal and/or electrical energy to provide responsive generation to the power grid.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Data, Photographs, Videos, and Information for the Niwot Ridge Subalpine Forest (US-NR1) AmeriFlux site

This data package contains data and information about the operation of the Niwot Ridge Subalpine Forest AmeriFlux site (US-NR1) between Nov 1998 to the present (2020). This data archive supplements the primary 30-min data storage for the US-NR1 data (i.e., https://doi.org/10.17190/AMF/1246088) by providing the following: (i) five-minute statistics (means, variances, covariances) of all data measured by the data system between Nov 1998 and September 2020 in netCDF format, (ii) CSV data files saved within the memory of the CR23X data loggers (as well as an archive of the data logger programs), (iii) an archive of previous 30-min ASCII data versions of the US-NR1 AmeriFlux data and information related to each data release (a replica of what can be found at http://urquell.colorado.edu/data_ameriflux/), (iv) a web calendar (in HTML format) documenting activity at the site (a replica of http://urquell.colorado.edu/calendar/), (v) photos (over 15,000) and video taken at the site between years 2001 and present day (2020), and (vi) several auxiliary datasets, primary related to trees near the site, soil moisture and soil temperature, and subcanopy radiation data. The data package is setup so that the web calendar, photos, and electronic logbook can be easily accessed on a local computer using a web browser. The provided data files are in either netCDF, CSV, ASCII, or MATLAB format. To obtain a better understanding about the archive, please start by reading the PDF: README_ESS_DIVE_USNR1_readme_first.pdf.

54 ENVIRONMENTAL SCIENCES↗

Mars Global Reference Atmospheric Model 2001 Version (Mars-GRAM 2001): Users Guide

This document presents Mars Global Reference Atmospheric Model 2001 Version (Mars-GRAM 2001) and its new features. As with the previous version (mars-2000), all parameterizations fro temperature, pressure, density, and winds versus height, latitude, longitude, time of day, and season (Ls) use input data tables from NASA Ames Mars General Circulation Model (MGCM) for the surface through 80-km altitude and the University of Arizona Mars Thermospheric General Circulation Model (MTGCM) for 80 to 70 km. Mars-GRAM 2001 is based on topography from the Mars Orbiter Laser Altimeter (MOLA) and includes new MGCM data at the topographic surface. A new auxiliary program allows Mars-GRAM output to be used to compute shortwave (solar) and longwave (thermal) radiation at the surface and top of atmosphere. This memorandum includes instructions on obtaining Mars-GRAN source code and data files and for running the program. It also provides sample input and output and an example for incorporating Mars-GRAM as an atmospheric subroutine in a trajectory code.

Justus, C. G.↗

Level-2 Milestone 6007: Sierra Early Delivery System Deployed to Secret Restricted Network

This report documents the delivery and installation of Shark, a CORAL Sierra early delivery system deployed on the LLNL SRD network. Early ASC program users have run codes on the machine in support of application porting for the final Sierra system which will be deployed at LLNL in CY2018. In addition to the SRD resource, Shark, unclassified resources, Rzmanta and Ray, have been deployed on the LLNL Restricted Zone and Collaboration Zone networks in support of application readiness for the Sierra platform.

97 MATHEMATICS AND COMPUTING↗

MPACT Programmer's Manual (V.4.3)

Figure 1 shows a high-level call chart for MPACT. The call chart uses the actual procedure names, starting with the main program name, MPACT. The only exception is the italicized names where the upstream procedure contains a number of subroutines calls. These calls are logically separated into blocks, such as setup basic info/inputs. Brief descriptions of what the procedure accomplishes are provided where needed. More detailed procedure information, including procedure arguments and definitions, can be found directly in the procedure header in the MPACT source code or Doxygen documentation (http://www.doxygen.nl/).

97 MATHEMATICS AND COMPUTING↗

Open-source Tools for Solving Grid Optimization Problems: ARPA-e Benchmark Algorithm Overview [Slides]

This document contains the official formulation that will be used for evaluation in Challenge 2 of the Grid Optimization (GO) Competition. Minor changes may occur within the formulation. Entrants will be notified when a new version is released. Changes are not expected to be of a significance that would cause a change in approach for the Entrants. This formulation builds upon the Challenge 1 formulation published in ARPA-E DE-FOA-0001952. Entrants will be judged based on the current official Challenge 2 formulation posted on the GO Competition website (this document, which is subject to change), not the formulation posted in DE-FOA-0001952. Entrants are permitted and encouraged to use any alternative problem formulation and modeling convention within their own software (such as convex relaxation, decoupled power flow formulations, current-voltage formulations, etc.) in an attempt to produce an exact or approximate solution to this particular mathematical program. However, the judging of all submitted approaches must conform to the official formulation presented here.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Portability for GPU-accelerated molecular docking applications for cloud and HPC: can portable compiler directives provide performance across all platforms?

High-throughput structure-based screening of drug-like molecules has become a common tool in biomedical research. Recently, acceleration with graphics processing units (GPUs) has provided a large performance boost for molecular docking programs. Both cloud and high-performance computing (HPC) resources have been used for large screens with molecular docking programs; while NVIDIA GPUs have dominated cloud and HPC resources, new vendors such as AMD and Intel are now entering the field, creating the problem of software portability across different GPUs. Ideally, software productivity could be maximized with portable programming models that are able to maintain high performance across architectures. While in many cases compiler directives have been used as an easy way to offload parallel regions of a CPU-based program to a GPU accelerator, they may also be an attractive programming model for providing portability across different GPU vendors, in which case the porting process may proceed in the reverse direction: from low-level, architecture-specific code to higher-level directive-based abstractions. MiniMDock is a new mini-application (miniapp) designed to capture the essential computational kernels found in molecular docking calculations, such as are used in phar-maceutical drug discovery efforts, in order to test different solutions for porting across GPU architectures. Here we extend MiniMDock to GPU offloading with OpenMP directives, and compare to performance of kernels using CUDA and HIP on NVIDIA and AMD GPUs, respectively, as well as across different compilers, exploring performance bottlenecks. We document this reverse-porting process, from highly optimized device code to a higher-level version using directives, compare code structure, and describe barriers that were overcome in this effort.

Thavappiragasam, Mathialakan↗

An electric propulsion long term test facility

An existing test facility was modified to provide for extended testing of multiple electric propulsion thruster subsystems. A program to document thruster subsystem characteristics as a function of time is currently in progress. The facility is capable of simultaneously operating three 2.7-kW, 30-cm mercury ion thrusters and their power processing units. Each thruster is installed via a separate air lock so that it can be extended into the 7m x 10m main chamber without violating vacuum integrity. The thrusters exhaust into a 3m x 5m frozen mercury target. An array of cryopanels collect sputtered target material. Power processor units are tested in an adjacent 1.5m x 2m vacuum chamber or accompanying forced convection enclosure. The thruster subsystems and the test facility are designed for automatic unattended operation with thruster operation computer controlled. Test data are recorded by a central data collection system scanning 200 channels of data a second every two minutes. Results of the Systems Demonstration Test, a short shakedown test of 500 hours, and facility performance during the first year of testing are presented.

Trump, G.↗

Documentation of the detailed radiation property data for the radiation-ablation code RASLE

This report is a documentation of the necessary radiation property input data for the radiating shock layer simulation code RASLE. The tabulated data are required to simulate systems which are composed of oxygen, nitrogen, carbon, hydrogen, and silicon. These data are needed to compute the flowfield effects of many practical ablative, hypersonic vehicle heat shield materials. A brief outline description is provided for the RASLE code. A more detailed discussion is provided for the RASLE code non-grey gas spectral radiation model. This model is related to the required radiation property data which are tabulated at the end of the report. Other correlations needed for the RASLE simulations are not discussed, since these are automatically included in the program and no input data are required.

Henline, William D.↗

JMOCUP Physics Depletion Calculations for the As-Run AGR-5/6/7 TRISO Particle Experiment in ATR Northeast Flux Trap

This ECAR documents the as-run Jim Sterbentz’s MCNP ORIGEN Coupled Utility Program (JMOCUP) physics depletion calculation and the calculated results for the AGR-5/6/7 irradiation experiment in the Advanced Test Reactor (ATR). AGR 5/6/7 was irradiated for nine power cycles in the northeast flux trap. The depletion calculations were performed to provide input data for a variety of other engineering analyses supporting the AGR-5/6/7 experiment along with post-irradiation characterization of the tri-structural isotropic (TRISO) particle fuel compacts. Detailed full-core MCNP models and Oak Ridge Isotope Generation (ORIGEN2) radionuclide generation models were specifically developed as part of the JMOCUP Monte Carlo depletion calculations. The MCNP ORIGEN2 computer codes were coupled using the well-established JMOCUP utility modules to couple the two codes and run the depletion calculations. The physics calculations were performed in support of the Advanced Gas Reactor (AGR) program.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗