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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Coupling Subsurface and Above-Surface Models for Optimizing the Design of Borefields and District Heating and Cooling Systems

Accurate dynamic energy simulation is important for the design and sizing of district heating and cooling systems with geothermal heat exchange for seasonal energy storage. Current modeling approaches in building and district energy simulation tools typically consider heat conduction through the ground between boreholes without flowing groundwater. While detailed simulation tools for subsurface heat and mass transfer exist, these fall short in simulating above-surface energy systems. To support the design and operation of such systems, the study developed a coupled model including a software package for building and district energy simulation, and software for detailed heat and mass transfer in the subsurface. For the first, it uses the open-source Modelica Buildings Library, which includes dynamic simulation models for building and district energy and control systems. For the heat and mass transfer in the soil, it uses the TOUGH simulator. The TOUGH family of codes can model heat and multi-phase, multi-component mass transport for a variety of fluid systems, as well as chemical reactions, in fractured porous media. The study validated the coupled modeling approach by comparing the simulation results with one from the g-function based ground response model. It then looked into effects when the water table and the regional groundwater flow are considered in the ground, from the perspective of heat exchange between borehole and ground, and the electrical consumption of the district heating and cooling systems. To access the simulation models, please find the links in the submission: -- For coupled approach validation: see model Buildings.Fluid.Geothermal.Borefields.Examples.BorefieldsWithTough and Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from the "Modelica Building Library" resource, branch issue1495_tough_interface, commit a2667c0. -- For the study of the effect of water table: see model Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO, commit 760de49. -- For the study of the effect of regional groundwater flow: see Buildings.Examples.DistrictReservoirNetworks.Examples.Reservoir3Variable_TOUGH from he "Modelica Building Library" resource, branch issue1495_tough_interface_moreIO_3D, commit c2a2d2a. The coupling interface script "GrounResponse.py" can be found from the above links in the folder Buildings/Resources/Python-Sources. Also, the needed files for TOUGH simulation are in the folder Buildings/Resources/Python-Sources/ToughFiles that can be accessed through the above links. A brief description of these files is given below; detailed specifications for the first three files may be found in the TOUGH3 Users Guide (Jung et al., 2018) https://tough.lbl.gov/documentation/tough-manuals/. (1) INCON - initial conditions for each grid block (2) INFILE - main input file with material properties and control parameters (3) MESH - description of the computational grid (4) readsave - Modelica/TOUGH interface program: read the final output of TOUGH simulation after TOUGH time step and prepare for transfer to Modelica for next Modelica time step (5) readsave.inp - input parameters for program readsave (6) writeincon - Modelica/TOUGH interface program: write the output of Modelica after Modelica time step and prepare for transfer to TOUGH as initial conditions for the next TOUGH step (7) writeincon.inp - input parameters for program writeincon

15 GEOTHERMAL ENERGY↗
DOE OSTI2021

Modeling the TetraSpar Floating Offshore Wind Turbine Foundation as a Flexible Structure in OrcaFlex and OpenFAST

Floating offshore wind turbine technology has seen an increasing and continuous development in recent years. When designing the floating platforms, both experimental and numerical tools are applied, with the latter often using time-domain solvers based on hydro-load estimation from a Morison approach or a boundary element method. Commercial software packages such as OrcaFlex, or open-source software such as OpenFAST, are often used where the floater is modeled as a rigid six degree-of-freedom body with loads applied at the center of gravity. However, for final structural design, it is necessary to have information on the distribution of loads over the entire body and to know local internal loads in each component. This paper uses the TetraSpar floating offshore wind turbine design as a case study to examine new modeling approaches in OrcaFlex and OpenFAST that provide this information. The study proves the possibility of applying the approach and the extraction of internal loads, while also presenting an initial code-to-code verification between OrcaFlex and OpenFAST. As can be expected, comparing the flexible model to a rigid-body model proves how motion and loads are affected by the flexibility of the structure. OrcaFlex and OpenFAST generally agree, but there are some differences in results due to different modeling approaches. Since no experimental data are available in the study, this paper only forms a baseline for future studies but still proves and describes the possibilities of the approach and codes.

17 WIND ENERGY↗
NASA NTRS1993

Accurate computation and continuation of homoclinic and heteroclinic orbits for singular perturbation problems

In earlier papers, Doedel and the authors have developed a numerical method and derived error estimates for the computation of branches of heteroclinic orbits for a system of autonomous ordinary differential equations in R(exp n). The idea of the method is to reduce a boundary value problem on the real line to a boundary value problem on a finite interval by using a local (linear or higher order) approximation of the stable and unstable manifolds. A practical limitation for the computation of homoclinic and heteroclinic orbits has been the difficulty in obtaining starting orbits. Typically these were obtained from a closed form solution or via a homotopy from a known solution. Here we consider extensions of our algorithm which allow us to obtain starting orbits on the continuation branch in a more systematic way as well as make the continuation algorithm more flexible. In applications, we use the continuation software package AUTO in combination with some initial value software. The examples considered include computation of homoclinic orbits in a singular perturbation problem and in a turbulent fluid boundary layer in the wall region problem.

Vaughan, William W.↗
NASA NTRS1993

Variational Trajectory Optimization Tool Set: Technical description and user's manual

The algorithms that comprise the Variational Trajectory Optimization Tool Set (VTOTS) package are briefly described. The VTOTS is a software package for solving nonlinear constrained optimal control problems from a wide range of engineering and scientific disciplines. The VTOTS package was specifically designed to minimize the amount of user programming; in fact, for problems that may be expressed in terms of analytical functions, the user needs only to define the problem in terms of symbolic variables. This version of the VTOTS does not support tabular data; thus, problems must be expressed in terms of analytical functions. The VTOTS package consists of two methods for solving nonlinear optimal control problems: a time-domain finite-element algorithm and a multiple shooting algorithm. These two algorithms, under the VTOTS package, may be run independently or jointly. The finite-element algorithm generates approximate solutions, whereas the shooting algorithm provides a more accurate solution to the optimization problem. A user's manual, some examples with results, and a brief description of the individual subroutines are included.

Bless, Robert R.↗
DOE OSTI2021

Berkeley Quantum Synthesis Toolkit (BQSKit) v1

The Berkeley Quantum Synthesis Toolkit (BQSKit) is an optimizing quantum compiler and research vehicle that combines ideas from several projects at LBNL into one easily accessible and quickly extensible software package. The ideas in the QFAST, QSearch, LEAP, and QFactor software tools (all licensed through ipo.lbl.gov) all build upon one another. By combining these into one package, we create symbiotic interactions between the tools. This means better results, better throughput, less to maintain, and greater surface area to the public. Additionally, the BQSKit tool will create a research platform for future work here at LBNL.

Younis, Ed↗
DOE OSTI2022

Smart connected worker edge platform for smart manufacturing: Part 1—Architecture and platform design

Abstract The challenge of sustainably producing goods and services for healthy living on a healthy planet requires simultaneous consideration of economic, societal, and environmental dimensions in manufacturing. Enabling technology for data driven manufacturing paradigms like Smart Manufacturing (a.k.a. Industry 4.0) serve as the technological backbone from which sustainable approaches to manufacturing can be implemented. Unfortunately, these technologies are typically associated with broader and deeper factory automation that is often too expensive and complex for the small and medium sized manufacturers (SMMs) that comprise the majority of manufacturing business in the USA and for whom their most valuable asset are the people whose jobs automation while replace. This paper describes an edge intelligent platform to integrate internet‐of‐things technologies with computing hardware, software, computational workflows for machine learning, and data ingestion, enabling SMMs to transition into smart manufacturing paradigms by leveraging the intelligence of their people. The platform leverages consumer grade electronics and sensors (affordable and portable), customized software with open source software packages (accessible), and existing communication network infrastructures (scalable). The software systems are implemented via Kubernetes orchestration of Docker containerization to ensure scalability and programmability. The platform is adaptive via computational workflow engines that produce information from data by processing with low‐cost edge computing devices while efficiently accessing resources of cloud servers as needed. The proposed edge platform connects workers to technological resources that provide computational intelligence (i.e., silicon‐based sensing and computation for data collection and contextualization) to enable decision making at the edge of advanced manufacturing.

Kim, Yoon G.↗
NASA NTRS1989

Physical Therapy Machine

Loredan Biomedical, Inc.'s LIDO, a computerized physical therapy system, was purchased by NASA in 1985 for evaluation as a Space Station Freedom exercise program. In 1986, while involved in an ARC muscle conditioning project, Malcom Bond, Loredan's chairman, designed an advanced software package for NASA which became the basis for LIDOSOFT software used in the commercially available system. The system employs a "proprioceptive" software program which perceives internal body conditions, induces perturbations to muscular effort and evaluates the response. Biofeedback on a screen allows a patient to observe his own performance.

Source record↗
NASA NTRS1975

An interactive graphics package for the automatic node renumbering of finite element matrices

An interactive graphics software package which allows users to display the non-zero structure of large sparse symmetric materials was described and methods used to implement it as a portable FORTRAN callable subroutine were summarized. In particular, the system permits the display of the resulting matrix after reordering the rows and columns, with the reordering scheme either defined by the user or automatically generated by the program with the aim of reducing matrix bandwidth and profile. Although the primary application of the package has been to the finite element analysis of structures, it is equally well suited to the many other areas of engineering and science which use sparse matrices.

Boisvert, R. F.↗
NASA NTRS1992

Development of the FITS tools package for multiple software environments

The HEASARC is developing a package of general purpose software for analyzing data files in FITS format. This paper describes the design philosophy which makes the software both machine-independent (it runs on VAXs, Suns, and DEC-stations) and software environment-independent. Currently the software can be compiled and linked to produce IRAF tasks, or alternatively, the same source code can be used to generate stand-alone tasks using one of two implementations of a user-parameter interface library. The machine independence of the software is achieved by writing the source code in ANSI standard Fortran or C, using the machine-independent FITSIO subroutine interface for all data file I/O, and using a standard user-parameter subroutine interface for all user I/O. The latter interface is based on the Fortran IRAF Parameter File interface developed at STScI. The IRAF tasks are built by linking to the IRAF implementation of this parameter interface library. Two other implementations of this parameter interface library, which have no IRAF dependencies, are now available which can be used to generate stand-alone executable tasks. These stand-alone tasks can simply be executed from the machine operating system prompt either by supplying all the task parameters on the command line or by entering the task name after which the user will be prompted for any required parameters. A first release of this FTOOLS package is now publicly available. The currently available tasks are described, along with instructions on how to obtain a copy of the software.

Pence, W. D.↗
DOE OSTI2021

SNEWPY: A Data Pipeline from Supernova Simulations to Neutrino Signals

Current neutrino detectors will observe hundreds to thousands of neutrinos from a Galactic supernovae, and future detectors will increase this yield by an order of magnitude or more. With such a data set comes the potential for a huge increase in our understanding of the explosions of massive stars, nuclear physics under extreme conditions, and the properties of the neutrino. However, there is currently a large gap between supernova simulations and the corresponding signals in neutrino detectors, which will make any comparison between theory and observation very difficult. SNEWPY is an open-source software package which bridges this gap. The SNEWPY code can interface with supernova simulation data to generate from the model either a time series of neutrino spectral fluences at Earth, or the total time-integrated spectral fluence. Data from several hundred simulations of core-collapse, thermonuclear, and pair-instability supernovae is included in the package. This output may then be used by an event generator such as sntools or an event rate calculator such as SNOwGLoBES. Additional routines in the SNEWPY package automate the processing of the generated data through the SNOwGLoBES software and collate its output into the observable channels of each detector. In this paper we describe the contents of the package, the physics behind SNEWPY, the organization of the code, and provide examples of how to make use of its capabilities.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

SNEWPY: A Data Pipeline from Supernova Simulations to Neutrino Signals

Current neutrino detectors will observe hundreds to thousands of neutrinos from Galactic supernovae, and future detectors will increase this yield by an order of magnitude or more. With such a data set comes the potential for a huge increase in our understanding of the explosions of massive stars, nuclear physics under extreme conditions, and the properties of the neutrino. However, there is currently a large gap between supernova simulations and the corresponding signals in neutrino detectors, which will make any comparison between theory and observation very difficult. SNEWPY is an open-source software package that bridges this gap. The SNEWPY code can interface with supernova simulation data to generate from the model either a time series of neutrino spectral fluences at Earth, or the total time-integrated spectral fluence. Data from several hundred simulations of core-collapse, thermonuclear, and pair-instability supernovae is included in the package. This output may then be used by an event generator such as sntools or an event rate calculator such as the SuperNova Observatories with General Long Baseline Experiment Simulator (SNOwGLoBES). Additional routines in the SNEWPY package automate the processing of the generated data through the SNOwGLoBES software and collate its output into the observable channels of each detector. In this paper we describe the contents of the package, the physics behind SNEWPY, the organization of the code, and provide examples of how to make use of its capabilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Automated reaction kinetics and network exploration (Arkane): A statistical mechanics, thermodynamics, transition state theory, and master equation software

The open-source statistical mechanics software described here, Arkane–Automated Reaction Kinetics and Network Exploration–facilitates computations of thermodynamic properties of chemical species, high-pressure limit reaction rate coefficients, and pressure-dependent rate coefficient over multi-well molecular potential energy surfaces (PES) including the effects of collisional energy transfer on phenomenological kinetics. Arkane can use estimates to fill in information for molecules or reactions where quantum chemistry information is missing. The software solves the internal energy master equation for complex unimolecular reaction systems. Inputs to the software include converged electronic structure computations performed by the user using a variety of supported software packages (Gaussian, Molpro, Orca, TeraChem, Q-Chem, Psi4). The software outputs high-pressure limit rate coefficients and pressure-dependent phenomenological rate coefficients, as well as computed thermodynamic properties (enthalpy, entropy, and constant pressure heat capacity) with added energy corrections. Some of the key features of Arkane include treatment of 1D, 2D or ND hindered internal rotation modes, treatment of free internal rotation modes, quantum tunneling effect consideration, transition state theory (TST) and Rice-Ramsperger-Kassel-Marcus (RRKM) rate coefficient computations, master equation solution with four implemented methods, inverse-Laplace transform of high-pressure limit rate coefficients into the energy domain, energy corrections based on bond-additivity or isodesmic reactions, automated and efficient PES exploration, and PES sensitivity analysis. The present work describes the design of Arkane, how it should be used, and refers to the theory that it employs. Arkane is distributed via the RMG-Py software suite (https://github.com/ReactionMechanismGenerator/RMG-Py).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

D2U: Data Driven User Emulation for the Enhancement of Cyber Testing, Training, and Data Set Generation

Whether testing intrusion detection systems, conducting training exercises, or creating data sets to be used by the broader cybersecurity community, realistic user behavior is a critical component of a cyber range. Existing methods either rely on network level data or replay recorded user actions to approximate real users in a network. Our work is the first to produce generative models trained on actual user data (sequences of application usage) collected on endpoints. Once trained to the user's behavioral data, these models can generate novel sequences of actions %that appear to come from the same distribution as the training data. These sequences of actions are then fed to our custom software via configuration files, which replicate those behaviors on end devices. Notably, our models are platform agnostic and could generate behavior data for any emulation software package. In this paper we present our model generation process, software architecture, and an initial evaluation of the fidelity of our models. Our software is currently deployed in a cyber range to help evaluate the efficacy of defensive cyber technologies. We suggest additional ways that the cyber community as a whole can benefit from more realistic user behavior emulation. The data used to train our model, as well as sample configuration files produced by the model, are available at [redacted].

Oesch, T↗
DOE OSTI2023

Software Quality Assurance Plan: Argonne Reactor Code Software

The Argonne Reactor Code (ARC) software package consists of 13 primary and many secondary pieces of software that are connected through interface files. The ARC software suite supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS1993

An application of the IMC software to controller design for the JPL LSCL Experiment Facility

A software package which Integrates Model reduction and Controller design (The IMC software) is applied to design controllers for the JPL Large Spacecraft Control Laboratory Experiment Facility. Modal Cost Analysis is used for the model reduction, and various Output Covariance Constraints are guaranteed by the controller design. The main motivation is to find the controller with the 'best' performance with respect to output variances. Indeed it is shown that by iterating on the reduced order design model, the controller designed does have better performance than that obtained with the first model reduction.

Zhu, Guoming↗
NASA NTRS2012

Formation of Minor Phases in a Nickel-Based Disk Superalloy

The minor phases of powder metallurgy disk superalloy LSHR were studied. Samples were consistently heat treated at three different temperatures for long times to approximate equilibrium. Additional heat treatments were also performed for shorter times, to then assess non-equilibrium conditions. Minor phases including MC carbides, M23C6 carbides, M3B2 borides, and sigma were identified. Their transformation temperatures, lattice parameters, compositions, average sizes and total area fractions were determined, and compared to estimates of an existing phase prediction software package. Parameters measured at equilibrium sometimes agreed reasonably well with software model estimates, with potential for further improvements. Results for shorter times representing non-equilibrium indicated significant potential for further extension of the software to such conditions, which are more commonly observed during heat treatments and service at high temperatures for disk applications.

Gabb, T. P.↗
DOE OSTI2020

CALPHAD Uncertainty Quantification and TDBX

CALPHAD uncertainty quantification (UQ) is the foundation of materials design with quantified confidence. We report a framework and software packages to enable CALPHAD UQ assessment and calculation using commercial CALPHAD software (Thermo-Calc). This Bayesian inference framework is coupled with a Markov chain Monte Carlo algorithm to establish uncertainty traces with a given thermodynamic database file (TDB) and corresponding experimental data points. This general framework is demonstrated with the Ni–Cr binary system. The algorithm is firstly validated on synthetic data with known ground truth. Then it is applied to real experimental data to generate posterior traces. We develop a file format named TDBX, which provides a single source of truth by combining the original TDB content and the traces for each assessed Gibbs energy parameter. CALPHAD UQ calculations are performed based on the TDBX file, from which uncertainties for phase boundaries, enthalpy curves, and solidification range are collected as examples of basic design parameters. This TDBX file with corresponding scripts are made open-source. Finally, the combination of CALPHAD UQ assessments and calculations connected by TDBX supports uncertainty-assisted modeling, enabling the integrated application of modern design with uncertainty methodologies to computational materials design.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Numerical simulation projects in micromagnetics with Jupyter

We report a case study where an existing materials science course was modified to include numerical simulation projects on the micromagnetic behavior of materials. The Ubermag micromagnetic simulation software package is used in order to solve problems computationally. The simulation software is controlled through the Python code in Jupyter notebooks. Our experience is that the self-paced problem-solving nature of the project work can facilitate a better in-depth exploration of the course contents. We discuss which aspects of the Ubermag and the project Jupyter ecosystem have been beneficial for the students' learning experience and which could be transferred to similar teaching activities in other subject areas.

97 MATHEMATICS AND COMPUTING↗