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LSENS: A General Chemical Kinetics and Sensitivity Analysis Code for homogeneous gas-phase reactions. Part 3: Illustrative test problems

LSENS, the Lewis General Chemical Kinetics and Sensitivity Analysis Code, has been developed for solving complex, homogeneous, gas-phase chemical kinetics problems and contains sensitivity analysis for a variety of problems, including nonisothermal situations. This report is part 3 of a series of three reference publications that describe LSENS, provide a detailed guide to its usage, and present many example problems. Part 3 explains the kinetics and kinetics-plus-sensitivity analysis problems supplied with LSENS and presents sample results. These problems illustrate the various capabilities of, and reaction models that can be solved by, the code and may provide a convenient starting point for the user to construct the problem data file required to execute LSENS. LSENS is a flexible, convenient, accurate, and efficient solver for chemical reaction problems such as static system; steady, one-dimensional, inviscid flow; reaction behind incident shock wave, including boundary layer correction; and perfectly stirred (highly backmixed) reactor. In addition, the chemical equilibrium state can be computed for the following assigned states: temperature and pressure, enthalpy and pressure, temperature and volume, and internal energy and volume. For static problems the code computes the sensitivity coefficients of the dependent variables and their temporal derivatives with respect to the initial values of the dependent variables and/or the three rate coefficient parameters of the chemical reactions.

Bittker, David A.↗

Convincing Clients to Make Zero a Reality: Preprint

As buildings are the largest end-users of carbon-intensive energy in the United States, it is critical that design and construction professionals implement energy-efficient and sustainable building designs and systems. Building owners seeking building energy performance improvements, either with new construction or retrofit of existing facilities, usually need the expertise of design and construction professionals to guide them through the process. These "trusted advisers" make the design decisions that ultimately result in the energy performance of the building. Members of the design and construction community have identified that clients' perception of cost associated with such designs and building upgrades have posed the most significant barrier to increased adoption. If solved, this would enable design and construction firms to better engage as trusted advisors along the lines of energy and carbon reduction of the built environment. NREL has developed a resource that helps design and construction professionals and their clients match their projects with financial incentives. A newly developed cohort of design and construction professionals, as part of the U.S. Department of Energy's Better Buildings Initiative, has brought real-world project experiences to the development process, contributing meaningful insights that have been critical to evaluating the successes of and providing direction to this much needed financial guide.

Better Buildings↗

The systematic evolution of a NASA software technology, Appendix C

A long range program is described whose ultimate purpose is to make possible the production of software in NASA within predictable schedule and budget constraints and with major characteristics such as size, run-time, and correctness predictable within reasonable tolerances. As part of the program a pilot NASA computer center will be chosen to apply software development and management techniques systematically and determine a set which is effective. The techniques will be developed by a Technology Group, which will guide the pilot project and be responsible for its success. The application of the technology will involve a sequence of NASA programming tasks graduated from simpler ones at first to complex systems in late phases of the project. The evaluation of the technology will be made by monitoring the operation of the software at the users' installations. In this way a coherent discipline for software design, production maintenance, and management will be evolved.

Deregt, M. P.↗

The NBS data management technology program

The National Bureau of Standards (NBS) Data Management Technology Program is discussed. The NBS Data Management Technology Program addresses major problems encountered during the following stages of an application's lifetime: requirements analysis and data base design, system selection and implementation, operations management and conversion. Products developed include standard software specifications, guides to best practice, standard data elements and representations, and reports documenting the experiences of other organizations as they attempt to improve the management of their computing resources. Data base Laboratory facilities are maintained for the investigation and analysis of state of the art data base technology. These facilities support collaborative testing with researchers, vendors, users, and standards developers.

Wood, H. M.↗

Making intelligent systems team players. A guide to developing intelligent monitoring systems

This reference guide for developers of intelligent monitoring systems is based on lessons learned by developers of the DEcision Support SYstem (DESSY), an expert system that monitors Space Shuttle telemetry data in real time. DESSY makes inferences about commands, state transitions, and simple failures. It performs failure detection rather than in-depth failure diagnostics. A listing of rules from DESSY and cue cards from DESSY subsystems are included to give the development community a better understanding of the selected model system. The G-2 programming tool used in developing DESSY provides an object-oriented, rule-based environment, but many of the principles in use here can be applied to any type of monitoring intelligent system. The step-by-step instructions and examples given for each stage of development are in G-2, but can be used with other development tools. This guide first defines the authors' concept of real-time monitoring systems, then tells prospective developers how to determine system requirements, how to build the system through a combined design/development process, and how to solve problems involved in working with real-time data. It explains the relationships among operational prototyping, software evolution, and the user interface. It also explains methods of testing, verification, and validation. It includes suggestions for preparing reference documentation and training users.

Land, Sherry A.↗

Take Off! Aeronautics and Aviation Science: Careers and Opportunities

Funded by National Aeronautic and Space Administration's High Performance Computing and Communications/ Learning Technologies Project (HPCC/LTP) Cooperative Agreement, Aeronautics and aviation Science: Careers and Opportunities was operative from July 1995 through July 1998. This project operated as a collaboration with Massachusetts Corporation for Educational Telecommunications, the Federal Aviation Administration, Bridgewater State College and four targeted "core sites" in the greater Boston area: Dorchester, Malden, East Boston and Randolph. In its first and second years, a video series with a participatory website on aeronautics and aviation science was developed and broadcast via "live, interactive" satellite feed. Accompanying teacher and student supplementary instructional materials for grades 6-12 were produced and disseminated by the Massachusetts Corporation for Educational Telecommunications (MCET). In year three, the project team redesigned the website, edited 14 videos to a five part thematic unit, and developed a teacher's guide to the video and web materials supplement for MAC and PC platforms, aligned with national standards. In the MCET grant application it states that project Take Off! in its initial phase would recruit and train teachers at "core" sites in the greater Boston area, as well as opening participation to other on-line users of MCET's satellite feeds. "Core site" classrooms would become equipped so that teachers and students might become engaged in an interactive format which aimed at not only involving the students during the "live" broadcast of the instructional video series, but which would encourage participation in electronic information gathering and sharing among participants. As a Take Off! project goal, four schools with a higher than average proportion of minority and underrepresented youth were invited to become involved with the project to give these students the opportunity to consider career exploration and development in the field of science aviation and aeronautics. The four sites chosen to participate in this project were East Boston High School, Dorchester High School, Randolph Junior-Senior High School and Malden High School. In year 3 Dorchester was unable to continue to fully participate and exited out. Danvers was added to the "core site" list in year 3.

Source record↗

ASTM Committee C28: International Standards for Properties and Performance of Advanced Ceramics-Three Decades of High-Quality, Technically-Rigorous Normalization

Physical and mechanical properties and performance of advanced ceramics and glasses are difficult to measure correctly without the proper techniques. For over three decades, ASTM Committee C28 on Advanced Ceramics, has developed high-quality, technically-rigorous, full-consensus standards (e.g., test methods, practices, guides, terminology) to measure properties and performance of monolithic and composite ceramics that may be applied to glasses in some cases. These standards contain testing particulars for many mechanical, physical, thermal, properties and performance of these materials. As a result these standards are used to generate accurate, reliable, repeatable and complete data. Within Committee C28, users, producers, researchers, designers, academicians, etc. have written, continually updated, and validated through round-robin test programs, 50 standards since the Committee's founding in 1986. This paper provides a detailed retrospective of the 30 years of ASTM Committee C28 including a graphical pictogram listing of C28 standards along with examples of the tangible benefits of standards for advanced ceramics to demonstrate their practical applications.

properties↗

Supervised Remote Robot with Guided Autonomy and Teleoperation (SURROGATE): A Framework for Whole-Body Manipulation

The use of the cognitive capabilties of humans to help guide the autonomy of robotics platforms in what is typically called "supervised-autonomy" is becoming more commonplace in robotics research. The work discussed in this paper presents an approach to a human-in-the-loop mode of robot operation that integrates high level human cognition and commanding with the intelligence and processing power of autonomous systems. Our framework for a "Supervised Remote Robot with Guided Autonomy and Teleoperation" (SURROGATE) is demonstrated on a robotic platform consisting of a pan-tilt perception head, two 7-DOF arms connected by a single 7-DOF torso, mounted on a tracked-wheel base. We present an architecture that allows high-level supervisory commands and intents to be specified by a user that are then interpreted by the robotic system to perform whole body manipulation tasks autonomously. We use a concept of "behaviors" to chain together sequences of "actions" for the robot to perform which is then executed real time.

Hebert, Paul↗

Mechanical System Analysis/Design Tool (MSAT) Quick Guide

MSAT is a unique multi-component multi-disciplinary tool that organizes design analysis tasks around object-oriented representations of configuration components, analysis programs and modules, and data transfer links between them. This creative modular architecture enables rapid generation of input stream for trade-off studies of various engine configurations. The data transfer links automatically transport output from one application as relevant input to the next application once the sequence is set up by the user. The computations are managed via constraint propagation - the constraints supplied by the user as part of any optimization module. The software can be used in the preliminary design stage as well as during the detail design of product development process.

Lee, HauHua↗

Resonant ultrasound spectroscopy probe for in-situ neutron scattering measurements

Resonant ultrasound spectroscopy (RUS) is an efficient, nondestructive technique to study the elastic properties of solids. A low-temperature (2-300 K) probe has been assembled and tested at the NOMAD beamline at the Spallation Neutron Source at Oak Ridge National Laboratory to assess the probe's neutronic properties, data acquisition system, and compatibility with existing sample environment. A case study on a bulk metallic glass, La 65 Cu 20 Al 10 Co 5, served to benchmark both hardware and software developments. The elastic constants of the metallic glass were determined as a function of temperature between 4 and 300 K and were used to guide neutron diffraction measurements at NOMAD. Tracking of a specific RUS peak center frequency and width enabled live monitoring of the sample temperature evolution that lagged thermometry by upwards of 40 K near room temperature. Assembly of a high-temperature (300-875 K) probe is underway and both probes are scheduled to be available to users by late-2021. Our aim is to provide users with live monitoring of an intrinsic variable at the neutron scattering beamlines, in addition to existing controls, to monitor the state of their samples and its elastic moduli and make informed decisions in real time.

Torres, James↗

The automated Army ROTC Questionnaire (ARQ)

The Reserve Officer Training Corps Cadet Command (ROTCCC) takes applications for its officer training program from college students and Army enlisted personnel worldwide. Each applicant is required to complete a set of application forms prior to acceptance into the ROTC program. These forms are covered by several regulations that govern the eligibility of potential applicants and guide the applicant through the application process. Eligibility criteria changes as Army regulations are periodically revised. Outdated information results in a loss of applications attributable to frustration and error. ROTCCC asked for an inexpensive and reliable way of automating their application process. After reviewing the process, it was determined that an expert system with good end user interface capabilities could be used to solve a large part of the problem. The system captures the knowledge contained within the regulations, enables the quick distribution and implementation of eligibility criteria changes, and distributes the expertise of the admissions personnel to the education centers and colleges. The expert system uses a modified version of CLIPS that was streamlined to make the most efficient use of its capabilities. A user interface with windowing capabilities provides the applicant with a simple and effective way to input his/her personal data.

Young, David L. H.↗

How To Manual - 4.56

The "how to" document is designed to help walk the analyst through difficult aspects of software usage. It should supplement both the User's manual and the Theory document, by providing examples and detailed discussion that reduce learning time for complex set ups. These documents are intended to be used together. We will not formally list all parameters for an input here — see the User's manual for this. All the examples in the "How To" document are part of the Sierra/SD test suite, and each will run with no modification. The nature of this document casts together a number of rather unrelated procedures. Grouping them is difficult. Please try to use the table of contents and the index as a guide in finding the analyses of interest.

97 MATHEMATICS AND COMPUTING↗

Sierra/SD-- How To Manual - 4.58

The “how to” document is designed to help walk the analyst through difficult aspects of software usage. It should supplement both the User’s manual and the Theory document, by providing examples and detailed discussion that reduce learning time for complex set ups. These documents are intended to be used together. We will not formally list all parameters for an input here – see the User’s manual for this. All the examples in the “How To” document are part of the Sierra/SD test suite, and each will run with no modification. The nature of this document casts together a number of rather unrelated procedures. Grouping them is difficult. Please try to use the table of contents and the index as a guide in finding the analyses of interest.

97 MATHEMATICS AND COMPUTING↗

Current NASA space station planning

Design considerations, trials, and actions both taken and necessary in the future which lead to the establishment of a space station by NASA are reviewed. Human performance on board Skylab demonstrated the feasibility and benefits of continuous operation of a space station. The manned orbital systems concept (MOSC) program, keeping in close contact with potential users, resulted in station requirements which included support for 720 day missions, up to four specialists per payload, 8-10 kW power, a 230 x 200 n mi altitude orbit, orbit change capability of 28.5 deg, all attitude orientation, and stability to within 1,100,000 g. Although the concept will not be funded, it provides a guide for incremental growth of a manned station from previously unmanned science platforms. Initiation of hardware development is projected for 1984-85. The agencies, both domestic and international, and missions for which the station will be built, are discussed.

Culbertson, P. E.↗

HPC Analytics of Fused Thermal Plants Data to Optimize Operating Envelope

In this project, ORNL extensively reviewed the ORAP RAM data, and it guided us to develop machine learning models that can predict time to next failures and forecast failure trends, which will be useful for optimizing power plant operation strategies. More specifically, we trained multiple random forest models and evaluated the model accuracy to validate with 10+ years of historical data. In addition, we implemented a web-based graphical user interface system for the models to show how our models can be used in more intuitive ways. This proof of concept allowed exploration of model use with power plant operators in mind. Developed machine learning models will be helpful for managing risks, planning maintenance and operation, ultimately reducing the down time and increasing the service hours. For future work, there are several interesting research topics including but not limited to model enhancement, creating synergy with traditional failure modeling approaches, and data-driven actionable recommendation and suggestions.

20 FOSSIL-FUELED POWER PLANTS↗

Deep Space Network-Wide Portal Development: Planning Service Pilot Project

The Deep Space Network (DSN) is an international network of antennas that supports interplanetary spacecraft missions and radio and radar astronomy observations for the exploration of the solar system and the universe. DSN provides the vital two-way communications link that guides and controls planetary explorers, and brings back the images and new scientific information they collect. In an attempt to streamline operations and improve overall services provided by the Deep Space Network a DSN-wide portal is under development. The project is one step in a larger effort to centralize the data collected from current missions including user input parameters for spacecraft to be tracked. This information will be placed into a principal repository where all operations related to the DSN are stored. Furthermore, providing statistical characterization of data volumes will help identify technically feasible tracking opportunities and more precise mission planning by providing upfront scheduling proposals. Business intelligence tools are to be incorporated in the output to deliver data visualization.

project development↗

Statistical characterization of experimental magnetized liner inertial fusion stagnation images using deep-learning-based fuel–background segmentation

Significant variety is observed in spherical crystal x-ray imager (SCXI) data for the stagnated fuel–liner system created in Magnetized Liner Inertial Fusion (MagLIF) experiments conducted at the Sandia National Laboratories Z-facility. As a result, image analysis tasks involving, e.g., region-of-interest selection (i.e. segmentation), background subtraction and image registration have generally required tedious manual treatment leading to increased risk of irreproducibility, lack of uncertainty quantification and smaller-scale studies using only a fraction of available data. We present a convolutional neural network (CNN)-based pipeline to automate much of the image processing workflow. This tool enabled batch preprocessing of an ensemble of N scans = 139 SCXI images across N exp = 67 different experiments for subsequent study. The pipeline begins by segmenting images into the stagnated fuel and background using a CNN trained on synthetic images generated from a geometric model of a physical three-dimensional plasma. The resulting segmentation allows for a rules-based registration. Our approach flexibly handles rarely occurring artifacts through minimal user input and avoids the need for extensive hand labelling and augmentation of our experimental dataset that would be needed to train an end-to-end pipeline. Here we also fit background pixels using low-degree polynomials, and perform a statistical assessment of the background and noise properties over the entire image database. Our results provide a guide for choices made in statistical inference models using stagnation image data and can be applied in the generation of synthetic datasets with realistic choices of noise statistics and background models used for machine learning tasks in MagLIF data analysis. We anticipate that the method may be readily extended to automate other MagLIF stagnation imaging applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Scribe3D© User Manual

Scribe3D© is an application designed to allow users to develop risk threat scenarios on a 3D image of a facility/location of the users choosing. Once the facility/terrain is loaded, entities such as personnel, vehicles (ground and air), and structures/objects can be added. Then the user can make the entities move around the facility/terrain. Responder and Adversary forces can be outfitted with weapons and move from place to place on foot or in vehicles. In Scribe3D©, once the entities are identified, they can be moved to visualize realistic scenario situations by using a suite of tools to enhance decision making and scenario development. This manual can guide you through setting up and editing all aspects of Scribe3D© and guide you to the creation of a Scenario Exercise.

97 MATHEMATICS AND COMPUTING↗