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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 829 records · Page 46

All sources NASA NTRS DOE OSTI

DOE OSTI2019

Computational simulation of a 100 kW dual circulating fluidized bed reactor processing coal by chemical looping with oxygen uncoupling

Chemical looping with oxygen uncoupling (CLOU) is a promising carbon capture technology that utilizes two interconnected fluidized-bed reactors to separate oxygen from air using a metal oxide, and then to use that oxygen to combust fuel in a nitrogen-free environment. CLOU is particularly well suited for solid fuels such as coal since released O 2 will readily combust with solid char. This study presents simulations of the University of Utah's dual fluidized bed chemical looping process development unit (PDU) operating as a CLOU system at 100 kW th , using CPFD Software's Barracuda-VR™ CFD modeling program. A full 3D model of the PDU was used including both reactors, as well as loop seals and cyclone separators. Hydrodynamic settings and the drag model are based on previous cold-flow validation experiments. Mechanisms describing CLOU reaction kinetics for cuprous oxide oxidation in the air reactor and cupric oxide reduction in the fuel reactor were adapted from previously completed experimental work. Coal char kinetics were based on the carbon-hydrogen-nitrogen-oxygen-sulfur, CHNOS, method. Submodels for devolatilization, gasification, and homogenous gas-phase reactions used relationships from the literature. Results predict volatile burnout almost immediately, though coal combustion continues into the upper portions of the fuel reactor and cyclone. Lastly, nitrogen gas leakage into the fuel reactor is shown to be mostly carryover from the air reactor

42 ENGINEERING↗

DOE OSTI2016

Enhancement in dielectric behavior of (Ni, Zn)Fe{sub 2}O{sub 4} ferrite

In present work, NiFe{sub 2}O{sub 4}(NFO), ZnFe{sub 2}O{sub 4} (ZFO) and Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} (NZFO) are synthesized by microwave assisted co-precipitation route. Their structural properties are confirmed by X-ray diffraction and data is fitted through Reitveld refinement using Full-Prof software suite. After refinement, the systematic crystal structures of NFO, ZFO and NZFO compounds are generated using output .cif file by VESTA (Visualization for Electronic and Structural Analysis) program. Structural parameters obtained after refinement and unit cell construction, are systematically tabulated. Room temperature frequency dependence dielectric properties are studied. We found enhanced values of dielectric constant for NZFO than individual NFO and ZFO phases. For NZFO sample, greater electron exchange between Fe{sup 2+} and Fe{sup 3+} which enhances polarization and dielectric constant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

DIVA/DeviceEditor (DIVA) v5.1

The DIVA software interfaces a process in which researchers design their DNA with a web-based graphical user interface (DeviceEditor), submit their designs to a central queue, and a few weeks later receive their sequence-verified clonal constructs. Each researcher independently designs the DNA to be constructed with a web-based BioCAD tool, and presses a button to submit their designs to a central queue. Researchers have web-based access to their DNA design queues, and can track the progress of their submitted designs as they progress from "evaluation", to "waiting for reagents", to "in progress", to "complete". Researchers access their completed constructs through the central DNA repository. Along the way, all DNA construction success/failure rates are captured in a central database. his success/failure rate data can be leveraged to refine the DNA assembly design process.

Lane, Stephen↗

DOE OSTI2023

ResStock™ v3.2.0 [SWR-19-15 and SWR-20-07]

The ResStock™ analysis tool was built on NREL's OpenStudio® platform, and is a project geared at modeling existing residential building stocks at national, regional, or local scales with a high-degree of granularity (e.g., one physics-based simulation model for every 200 dwelling units), using the EnergyPlus® simulation engine. Information about ComStock™, a sister tool for modeling the commercial building stock, can be found here: https://www.nrel.gov/buildings/comstock.html This repository contains: Housing characteristics of the U.S. residential building stock, in the form of conditional probability distributions stored as tab-separated value (.tsv) files. Comments at the bottom of each file document data sources and assumptions for each. A library of housing characteristic "options" that translate high-level characteristic parameters into arguments for OpenStudio measures, and which are referenced by the housing characteristic .tsv files and building energy upgrades defined in project definition files Project definition files: v2.3.0 and later: buildstockbatch YML files openable in any text editor v2.2.5 and prior: Project folder openable in PAT Unit-level OpenStudio Measures for automatically constructing OpenStudio Models of each representative dwelling unit model: v3.0.0 and later: OpenStudio-HPXML Measures v2.5.0 and prior: OpenStudio Measures Higher-level OpenStudio Measures for controlling simulation inputs and outputs This repository does not contain software for running ResStock simulations, which can be found as follows: Versions 2.3.0 and later only support the use of buildstockbatch for deploying simulations on high-performance or cloud computing. Version 2.3.0 also removed separate projects for single-family detached and multifamily buildings, in lieu of a combined project_national representing the U.S. residential building stock. See the changelog for more details. Versions 2.2.5 and prior support the use of the publicly available OpenStudio-PAT software as an interface for deploying simulations on cloud computing. Read the documentation for v2.2.5.

Horowitz, Scott↗

DOE OSTI2024

Thermodynamics-informed latent space dynamics identification

This software showcases a latent space dynamics identification method, namely tLaSDI, that embeds the first and second principles of thermodynamics. The latent variables are learned through an autoencoder as a nonlinear dimension reduction model. The latent dynamics are constructed by a neural network-based model that precisely preserves certain structures for the thermodynamic laws through the GENERIC formalism. An abstract error estimate is established, which provides a new loss formulation involving the Jacobian computation of autoencoder. The autoencoder and the latent dynamics are simultaneously trained to minimize the new loss. Computational examples demonstrate the effectiveness of tLaSDI, which exhibits robust generalization ability, even in extrapolation. In addition, an intriguing correlation is empirically observed between a quantity from tLaSDI in the latent space and the behaviors of the full-state solution.

Cheung, Siu Wun↗

DOE OSTI2015

Surface Triangulation for CSG in Mercury

Visualization routines for rendering complicated geometries are very useful for engineers and scientists who are trying to build 3D prototypes of their designs. A common way to rapidly add interesting features to a 3D model is through the use of a concept called Constructive Solid Geometry. CSG uses compositions of the boolean set operations to manipulate basic geometric primitives to form more complicated objects. The most common boolean operations employed are union, intersection, and subtraction. Most computer-aided design software packages contain some sort of ability visualize CSG. The typical workflow for the user is as follows: The user specifies the individual primitive components, the user arbitrarily combines each of these primitives with boolean operations, the software generates a CSG tree structure which normally stores these solids implicitly with their defining equation, the tree is traversed and a general algorithm is applied to render the appropriate geometry onto the screen. Algorithms for visualizing CSG have been extensively developed for over a decade. Points sampled from the implicit solids are typically used as input by variations of algorithms like marching cubes and point-cloud surface reconstruction. Here, we explain a surface triangulation method from the graphics community that is being used for surface visualization in the framework of a Monte-Carlo neutron transport code called Mercury.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Final Report - Subcontract B623760

During my visit to LLNL during July 17{27, 2017, I worked on linear system solvers. The two level hierarchical solver that initiated our study was developed to solve linear systems arising from hp adaptive finite element calculations, and is implemented in the PLTMG software package, version 12. This preconditioner typically requires 3-20% of the space used by the stiffness matrix for higher order elements. It has multigrid like convergence rates for a wide variety of PDEs (self-adjoint positive de nite elliptic equations, convection dominated convection-diffusion equations, and highly indefinite Helmholtz equations, among others). The convergence rate is not independent of the polynomial degree p as p ! 1, but but remains strong for p 9, which is the highest polynomial degree allowed in PLTMG, due to limitations of the numerical quadrature rules implemented in the software package. A more complete description of the method and some numerical experiments illustrating its effectiveness appear in. Like traditional geometric multilevel methods, this scheme relies on knowledge of the underlying finite element space in order to construct the smoother and the coarse grid correction.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Wabash CarbonSAFE Static and Dynamic Modeling: Task 9.0 (Technical Report)

The objective of the Wabash CarbonSAFE project’s static and dynamic modeling task is to assess the feasibility of storing 50 million tonnes (1.67 million metric tonnes annually; MMTA) of industrially-sourced carbon dioxide (CO 2 ) in a commercial-scale geological storage complex at Wabash Valley Resources LLC (WVR) gasification facility near Terre Haute, Indiana over a period of 30 years. The targeted formations for storing CO 2 are: 1) Mt. Simon Sandstone (MSS) and the 2) Potosi Dolomite (Knox Group). All of the available data from the recently drilled Wabash #1 stratigraphic test well (now plugged and abandoned) were used in the construction of both the static and dynamic models. Geologic models were constructed to characterize both the Mt. Simon Sandstone and Potosi Dolomite storage complexes. Dynamic simulation models were constructed and used to assess the feasibility of injecting CO 2 into the Mt. Simon and Potosi formations. The geocellular models for the Potosi Dolomite and Mt. Simon Sandstone were built using Petrel™, Schlumberger’s reservoir modeling software. The dynamic simulations were run using Landmark’s Nexus ® reservoir simulation software.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

NASA NTRS1979

METAPHOR: Programmer's guide, Version 1

The internal structure of the Michigan Evaluation Aid for Perphormability (METAPHOR), an interactive software package to facilitate performability modeling and evaluation is described. Revised supplemented guides are prepared in order to maintain an up-to-date documentation of the system. Programmed tools to facilitate each step of performability model construction and model solution are given.

Furchtgott, D. G.↗

NASA NTRS1991

Intelligent systems/software engineering methodology - A process to manage cost and risk

A systems development methodology is discussed that has been successfully applied to the construction of a number of intelligent systems. This methodology is a refinement of both evolutionary and spiral development methodologies. It is appropriate for development of intelligent systems. The application of advanced engineering methodology to the development of software products and intelligent systems is an important step toward supporting the transition of AI technology into aerospace applications. A description of the methodology and the process model from which it derives is given. Associated documents and tools are described which are used to manage the development process and record and report the emerging design.

Friedlander, Carl↗

NASA NTRS2004

Constructing an Educational Mars Simulation

January 14th 2004, President George Bush announces his plans to catalyst the space program into a new era of space exploration and discovery. His vision encompasses a robotics program to explore our solar system, a return to the moon, the human exploration of Mars, and to promote international prosperity towards our endeavors. We at NASA now have the task of constructing this vision in a very real timeframe. I have been chosen to begin phase 1 of making this vision a reality. I will be working on creating an Educational Mars Simulation of human exploration of Mars to stimulate interest and involvement with the project from investors and the community. GRC s Computer Services Division (CSD) in collaboration with the Office of Education Programs will be designing models, constructing terrain, and programming this simulation to create a realistic portrayal of human exploration on mars. With recent and past technological breakthroughs in computing, my primary goal can be accomplished with only the aid of 3-4 software packages. Lightwave 3D is the modeling package we have selected to use for the creation of our digital objects. This includes a Mars pressurized rover, rover cockpit, landscape/terrain, and habitat. Once we have the models completed they need textured so Photoshop and Macromedia Fireworks are handy for bringing these objects to life. Before directly importing all of this data into a simulation environment, it is necessary to first render a stunning animation of the desired final product. This animation with represent what we hope to capture out of the simulation and it will include all of the accessories like ray-tracing, fog effects, shadows, anti-aliasing, particle effects, volumetric lighting, and lens flares. Adobe Premier will more than likely be used for video editing and adding ambient noises and music. Lastly, V-Tree is the real-time 3D graphics engine which will facilitate our realistic simulation. Additional information is included in the original extended abstract.

Henke, Stephen A.↗

NASA NTRS2008

Scripting Module for the Satellite Orbit Analysis Program (SOAP)

This add-on module to the SOAP software can perform changes to simulation objects based on the occurrence of specific conditions. This allows the software to encompass simulation response of scheduled or physical events. Users can manipulate objects in the simulation environment under programmatic control. Inputs to the scripting module are Actions, Conditions, and the Script. Actions are arbitrary modifications to constructs such as Platform Objects (i.e. satellites), Sensor Objects (representing instruments or communication links), or Analysis Objects (user-defined logical or numeric variables). Examples of actions include changes to a satellite orbit ( v), changing a sensor-pointing direction, and the manipulation of a numerical expression. Conditions represent the circumstances under which Actions are performed and can be couched in If-Then-Else logic, like performing v at specific times or adding to the spacecraft power only when it is being illuminated by the Sun. The SOAP script represents the entire set of conditions being considered over a specific time interval. The output of the scripting module is a series of events, which are changes to objects at specific times. As the SOAP simulation clock runs forward, the scheduled events are performed. If the user sets the clock back in time, the events within that interval are automatically undone. This script offers an interface for defining scripts where the user does not have to remember the vocabulary of various keywords. Actions can be captured by employing the same user interface that is used to define the objects themselves. Conditions can be set to invoke Actions by selecting them from pull-down lists. Users define the script by selecting from the pool of defined conditions. Many space systems have to react to arbitrary events that can occur from scheduling or from the environment. For example, an instrument may cease to draw power when the area that it is tasked to observe is not in view. The contingency of the planetary body blocking the line of sight is a condition upon which the power being drawn is set to zero. It remains at zero until the observation objective is again in view. Computing the total power drawn by the instrument over a period of days or weeks can now take such factors into consideration. What makes the architecture especially powerful is that the scripting module can look ahead and behind in simulation time, and this temporal versatility can be leveraged in displays such as x-y plots. For example, a plot of a satellite s altitude as a function of time can take changes to the orbit into account.

Carnright, Robert↗

NASA NTRS2007

Analysis of Performance of Stereoscopic-Vision Software

A team of JPL researchers has analyzed stereoscopic vision software and produced a document describing its performance. This software is of the type used in maneuvering exploratory robotic vehicles on Martian terrain. The software in question utilizes correlations between portions of the images recorded by two electronic cameras to compute stereoscopic disparities, which, in conjunction with camera models, are used in computing distances to terrain points to be included in constructing a three-dimensional model of the terrain. The analysis included effects of correlation- window size, a pyramidal image down-sampling scheme, vertical misalignment, focus, maximum disparity, stereo baseline, and range ripples. Contributions of sub-pixel interpolation, vertical misalignment, and foreshortening to stereo correlation error were examined theoretically and experimentally. It was found that camera-calibration inaccuracy contributes to both down-range and cross-range error but stereo correlation error affects only the down-range error. Experimental data for quantifying the stereo disparity error were obtained by use of reflective metrological targets taped to corners of bricks placed at known positions relative to the cameras. For the particular 1,024-by-768-pixel cameras of the system analyzed, the standard deviation of the down-range disparity error was found to be 0.32 pixel.

Kim, Won↗

NASA NTRSDate not supplied

Three Dimensional Surface Redefinition Method for Computational Ice Accretion Solvers

Computational tools have been increasing in maturity and are thus commonly used in the engineering design process. Advancements in NASA’s current state of the art computational ice accretion tool are required to tackle the icing challenges of tomorrow. GlennICE, a next generation ice accretion solver, is under development at NASA to tackle these challenges. One of the elements of this migration is transitioning from a quasi-three dimensional strip theory based ice accretion methodology to a fully three dimensional methodology. This requires construction of a method to redefine or extrude a discretized or tessellated surface geometry based on the predicted volumetric ice growth for each tessellated surface triangle. This paper describes the methodology that is employed in the GlennICE software, and assesses the performance of the method in replicating a well defined analytical test case.

Computational↗

NASA NTRSDate not supplied

Three Dimensional Surface Redefinition Method for Computational Ice Accretion Solvers

Computational↗

NASA NTRS2010

World Wide Web Metaphors for Search Mission Data

A software program that searches and browses mission data emulates a Web browser, containing standard meta - phors for Web browsing. By taking advantage of back-end URLs, users may save and share search states. Also, since a Web interface is familiar to users, training time is reduced. Familiar back and forward buttons move through a local search history. A refresh/reload button regenerates a query, and loads in any new data. URLs can be constructed to save search results. Adding context to the current search is also handled through a familiar Web metaphor. The query is constructed by clicking on hyperlinks that represent new components to the search query. The selection of a link appears to the user as a page change; the choice of links changes to represent the updated search and the results are filtered by the new criteria. Selecting a navigation link changes the current query and also the URL that is associated with it. The back button can be used to return to the previous search state. This software is part of the MSLICE release, which was written in Java. It will run on any current Windows, Macintosh, or Linux system.

Norris, Jeffrey S.↗

DOE OSTI2024

GradDFT. A software library for machine learning enhanced density functional theory

Density functional theory (DFT) stands as a cornerstone method in computational quantum chemistry and materials science due to its remarkable versatility and scalability. Yet, it suffers from limitations in accuracy, particularly when dealing with strongly correlated systems. To address these shortcomings, recent work has begun to explore how machine learning can expand the capabilities of DFT: an endeavor with many open questions and technical challenges. In this work, we present GradDFT a fully differentiable JAX-based DFT library, enabling quick prototyping and experimentation with machine learning-enhanced exchange–correlation energy functionals. GradDFT employs a pioneering parametrization of exchange–correlation functionals constructed using a weighted sum of energy densities, where the weights are determined using neural networks. Moreover, GradDFT encompasses a comprehensive suite of auxiliary functions, notably featuring a just-in-time compilable and fully differentiable self-consistent iterative procedure. To support training and benchmarking efforts, we additionally compile a curated dataset of experimental dissociation energies of dimers, half of which contain transition metal atoms characterized by strong electronic correlations. The software library is tested against experimental results to study the generalization capabilities of a neural functional across potential energy surfaces and atomic species, as well as the effect of training data noise on the resulting model accuracy.

Chemistry↗

DOE OSTI2020

A Comparison of RESRAD and GoldSim Models for Assessing Radiological Dose for a RCRA Landfill - 20418

US Ecology Idaho (USEI) operates a Resource Conservation and Recovery Act (RCRA) Subtitle C, Hazardous Waste Treatment, Storage, and Disposal (TSD) Facility on a 640-acre property in Owyhee County, Idaho. USEI accepts a wide variety of RCRA-exempt low activity radioactive wastes, including naturally occurring radioactive material (NORM) and technologically enhanced NORM (TENORM) (USEI 2009). The performance of the landfill with regard to radiological operating permit requirements was previously assessed using a model constructed with the residual radioactivity (RESRAD) computer program, developed by Argonne National Laboratory for the U.S. Department of Energy (DOE). RESRAD supports the evaluation of several environmental transport pathways related to a radionuclide-contaminated soil source term, but it was not conceived as a model for the evaluation of landfill radiological performance. A more comprehensive and realistic model is desired in order to better support submissions to both the State of Idaho's Department of Environmental Quality as well as the U.S. Nuclear Regulatory Commission. A Performance Assessment (PA) computer model was developed using GoldSim software for the USEI RCRA Subtitle C landfill. The RESRAD computer model was specifically developed for calculating soil cleanup criteria and radiological dose and cancer risk from residual radioactive material in soil. To evaluate site-specific conditions, users may select from among a number of available environmental transport and exposure pathways and modify 'default' parameter values. In GoldSim, a user must construct the model 'from scratch.' However, this modeling is facilitated by a number of specialized elements available in GoldSim to support a radiological mass transport model. These include elements for defining radiological decay and ingrowth, container failure and radiological release, advective and diffusive transport, and other processes. Advantages afforded by the use of RESRAD for modeling radiological dose for a RCRA Subtitle C landfill include ease of use and reasonable flexibility in specifying site-specific conditions. GoldSim allows for considerably more flexibility and site-specificity than RESRAD, including evaluation of potentially relevant environmental transport processes not supported in RESRAD. The probabilistic modeling capabilities of GoldSim also far exceed those of RESRAD. The pros and cons of RESRAD and GoldSim for this modeling problem are explored with a focus on identifying approaches and critical factors in identifying the appropriate platform. The capabilities of RESRAD and GoldSim for mathematically modeling the disposal system will be contrasted and compared. For example, the existing RESRAD radiological safety assessment evaluated potentially complete exposure pathways related to infiltration to groundwater and upwards diffusion of radon. Additional transport pathways identified in the USEI Idaho facility Conceptual Site Model include deposition of radon decay products in cover material, root uptake of radionuclides in disposed wastes by native plants, and mixing of cover material by burrowing animals. Results of the two models and how the different transport and dose pathways affect results will be discussed. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗