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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 199 records · Page 11

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DOE OSTI2021

IC reports (2021)

We requested HPC support to continue research on the seismic waves generated by impacts. We used the following codes: (1) the Hybrid Optimization Software Suite (HOSS), developed at LANL. HOSS is based on a combined Finite and Discrete Element Method (FDEM). New material models are developed for the sedimentary rocks. HOSS has been recently benchmarked to iSale and FLAG codes. SPECFEM3D is an open-source code developed since the last 90s. It won the Gordon Bell award for best performance in 2003, was finalist again in 2008 for a run at 0.16 petaflops on 149,784 cores on the ‘Jaguar’ Cray system at Oak Ridge National Laboratory. It also won the BULL Joseph Fourier supercomputing award in 2010.; SW4 is a 4th-order finite difference code developed at LLNL which is currently actively developed to handle complex 3D models and to be ported on future exascale platforms. We assessed our need to a total of 3.9M CPU-hrs for year 1 and and 3.1 M for year 2.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

MCNP ® Code Version 6.3.0 Theory & User Manual

This document acts as a repository of knowledge for the Monte Carlo N-Particle (MCNP) transport computer code. It is maintained alongside the source code and attempts to introduce new users and re-familiarize experienced users with the theory and practices of using the MCNP code for the wide range of particle transport analyses that it is appropriate for. The latest version of the MCNP code, version 6.3.0, provides the Monte Carlo particle transport community with the latest feature developments and bug fixes in the MCNP code. The MCNP code version 6.0 and later is also known as the MCNP6 code.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2024

MCNP ® Code Version 6.3.1 Theory & User Manual

This document acts as a repository of knowledge for the Monte Carlo N-Particle (MCNP) transport computer code. It is maintained alongside the source code and attempts to introduce new users and re-familiarize experienced users with the theory and practices of using the MCNP code for the wide range of particle transport analyses that it is appropriate for. The latest version of the MCNP code, version 6.3.1, provides the Monte Carlo particle transport community with the latest feature developments and bug fixes in the MCNP code. The MCNP code version 6.0 and later is also known as the MCNP6 code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

MCNP® Code Version 6.3.2 Theory & User Manual (Rev. 1)

This document acts as a repository of knowledge for the Monte Carlo N-Particle (MCNP) transport computer code. It is maintained alongside the source code and attempts to introduce new users and re-familiarize experienced users with the theory and practices of using the MCNP code for the wide range of particle transport analyses that it is appropriate for. The latest version of the MCNP code, version 6.3.2, provides the Monte Carlo particle transport community with the latest feature developments and bug fixes in the MCNP code. The MCNP code version 6.0 and later is also known as the MCNP6 code.

42 ENGINEERING↗

DOE OSTI2012

Extending a CAD-Based Cartesian Mesh Generator for the Lattice Boltzmann Method

This paper describes the development of a custom preprocessor for the PaRAllel Thermal Hydraulics simulations using Advanced Mesoscopic methods (PRATHAM) code based on an open-source mesh generator, CartGen [1]. PRATHAM is a three-dimensional (3D) lattice Boltzmann method (LBM) based parallel flow simulation software currently under development at the Oak Ridge National Laboratory. The LBM algorithm in PRATHAM requires a uniform, coordinate system-aligned, non-body-fitted structured mesh for its computational domain. CartGen [1], which is a GNU-licensed open source code, already comes with some of the above needed functionalities. However, it needs to be further extended to fully support the LBM specific preprocessing requirements. Therefore, CartGen is being modified to (i) be compiler independent while converting a neutral-format STL (Stereolithography) CAD geometry to a uniform structured Cartesian mesh, (ii) provide a mechanism for PRATHAM to import the mesh and identify the fluid/solid domains, and (iii) provide a mechanism to visually identify and tag the domain boundaries on which to apply different boundary conditions.

Cartesian Grid↗

DOE OSTI2016

MADSpython 1.x

MADSpython (Model analysis and decision support tools in Python) is a code in Python that streamlines the process of using data and models for analysis and decision support using the code MADS. MADS is open-source code developed at LANL and written in C/C++ (MADS; http://mads.lanl.gov; LA-CC-11-035). MADS can work with external models of arbitrary complexity as well as built-in models of flow and transport in porous media. The Python scripts in MADSpython facilitate the generation of input and output file needed by MADS as wells as the external simulators which include FEHM and PFLOTRAN. MADSpython enables a number of data- and model-based analyses including model calibration, sensitivity analysis, uncertainty quantification, and decision analysis. MADSpython will be released under GPL V3 license. MADSpython will be distributed as a Git repo at gitlab.com and github.com. MADSpython manual and documentation will be posted at http://madspy.lanl.gov.

O'Malley, Daniel↗

DOE OSTI2015

Performance assessment modernization at WIPP - 15077

To aid in WIPP PA calculations, the US DOE has undertaken a broad modernization effort that includes: 1) updating the hardware and operating system used; 2) moving the current PA (performance assessment) codes to the new system; and 3) adding a database to store results essential for the analysis of assessments; 4) integrating run-control scripts with a web site to facilitate monitoring of performance assessment calculations; and 5) adding new capabilities via implementation of the PFLOTRAN code to replace multiple codes currently in use. The majority of codes were migrated from an Open VMS/Alpha processor system to a Unix/Intel processor system. Most codes were upgraded to use the dynamic allocation features of Fortran 95 and double precision variables. A few codes were migrated from Linux/Intel systems to the Unix/Intel systems and these code required nearly no changes to the source code. All of the migrated codes were re-qualified under Sandia's WIPP QA program. The implementation of some of the conceptual models using PFLOTRAN is being driven by the expectation that changes in the configuration of the repository will require a 3-dimensional representation of the mined areas. Symmetry in the current configuration of the repository made a 2-D representation adequate. PFLOTRAN is an open-source, state-of-the-art massively parallel subsurface flow and reactive transport code. A version of this code is being developed specifically for WIPP PA in order to maintain the capabilities of the current flow and transport codes, as well as add the capabilities of a parallel code that will treat additional processes, including: 1) miscible multi-phase flow; and 2) heat transfer. PFLOTRAN will replace the two codes (i.e. BRAGFLO and NUTS) currently used for flow and transport calculations, simplifying the PA code structure and speeding up calculations by simultaneously solving for flow and transport with a single code. To ensure that PFLOTRAN reproduces the results of the current code suite, existing test cases have been used for verification purposes. Additional test cases have been developed to establish the new capabilities for WIPP PA. The result of the modernization effort will be a state-of-the-art subsurface flow and transport capability that will serve WIPP PA into the future. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

LIGHT CURVES OF CORE-COLLAPSE SUPERNOVAE WITH SUBSTANTIAL MASS LOSS USING THE NEW OPEN-SOURCE SUPERNOVA EXPLOSION CODE (SNEC)

We present the SuperNova Explosion Code (SNEC), an open-source Lagrangian code for the hydrodynamics and equilibrium-diffusion radiation transport in the expanding envelopes of supernovae. Given a model of a progenitor star, an explosion energy, and an amount and distribution of radioactive nickel, SNEC generates the bolometric light curve, as well as the light curves in different broad bands assuming blackbody emission. As a first application of SNEC, we consider the explosions of a grid of 15 M{sub ⊙} (at zero-age main sequence, ZAMS) stars whose hydrogen envelopes are stripped to different extents and at different points in their evolution. The resulting light curves exhibit plateaus with durations of ∼20–100 days if ≳1.5–2 M{sub ⊙} of hydrogen-rich material is left and no plateau if less hydrogen-rich material is left. If these shorter plateau lengths are not seen for SNe IIP in nature, it suggests that, at least for ZAMS masses ≲20 M{sub ⊙}, hydrogen mass loss occurs as an all or nothing process. This perhaps points to the important role binary interactions play in generating the observed mass-stripped supernovae (i.e., Type Ib/c events). These light curves are also unlike what is typically seen for SNe IIL, arguing that simply varying the amount of mass loss cannot explain these events. The most stripped models begin to show double-peaked light curves similar to what is often seen for SNe IIb, confirming previous work that these supernovae can come from progenitors that have a small amount of hydrogen and a radius of ∼500 R{sub ⊙}.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Fast Model Generalized Pseudopotential Theory Interatomic Potential Routine

MGPT is an unclassified source code for the fast evaluation and application of quantum-based MGPT interatomic potentials for mrtals. The present version of MGPT has been developed entirely at LLNL, but is specifically designed for implementation in the open-source molecular0dynamics code LAMMPS maintained by Sandia National Laboratories. Using MGPT in LAMMPS, with separate input potential data, one can perform large-scale atomistic simulations of the structural, thermodynamic, defeat and mechanical properties of transition metals with quantum-mechanical realism.

Source record↗

DOE OSTI2015

Fast Model Generalized Pseudopotential Theory Interatomic Potential Routine

Source record↗

DOE OSTI2014

SNL-SWAN

Sandia National Laboratories has modified Simulating WAves Nearshore (SWAN), the Delft University of Technology code,, to include functionality to better model wave energy converters (WECs). The code modified by SNL has been named SNL-SWAN. SNL-SWAN includes a frequency dependent WEC Module that builds upon the traditional obstacle module in SWAN. In SNL-SWAN, a frequency dependent transmission coefficient is calculated to model power absorbed by WEC devices. The power transmission coefficients are calculated based on the WEC's power performance, which is defined by the user in the input text files. Two methods of defining WEC power performance have been implemented: a user-specified power matrix, and a user-specified relative capture width. These methods allow the user to define the WEC's frequency dependent energy absorption as a function of period and/or wave height. SWAN test cases were run to verify the compiled code's functionality, and verification of the frequency dependent WEC Module in SNL-SWAN has also been performed. SNL-SWAN code is will be released as open source code and will be made publicly available.

Chartrand, Chris↗

DOE OSTI2016

A physically based model of the ionizing radiation from active galaxies for photoionization modeling

We present a simplified model of active galactic nucleus (AGN) continuum emission designed for photoionization modeling. The new model oxaf reproduces the diversity of spectral shapes that arise in physically based models. We identify and explain degeneracies in the effects of AGN parameters on model spectral shapes, with a focus on the complete degeneracy between the black hole mass and AGN luminosity. Our reparametrized model oxaf removes these degeneracies and accepts three parameters that directly describe the output spectral shape: the energy of the peak of the accretion disk emission E{sub peak}, the photon power-law index of the non-thermal emission Γ, and the proportion of the total flux that is emitted in the non-thermal component p{sub NT}. The parameter E{sub peak} is presented as a function of the black hole mass, AGN luminosity, and “coronal radius” of the optxagnf model upon which oxaf is based. We show that the soft X-ray excess does not significantly affect photoionization modeling predictions of strong emission lines in Seyfert narrow-line regions. Despite its simplicity, oxaf accounts for opacity effects where the accretion disk is ionized because it inherits the “color correction” of optxagnf. We use a grid of mappings photoionization models with oxaf ionizing spectra to demonstrate how predicted emission-line ratios on standard optical diagnostic diagrams are sensitive to each of the three oxaf parameters. The oxaf code is publicly available in the Astrophysics Source Code Library.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

LINAC BEAM DYNAMICS SIMULATIONS WITH PY-ORBIT

Linac dynamics simulation capabilities of the PyORBIT code are discussed. PyORBIT is an open source code and a further development of the original ORBIT code that was created and used for design, studies, and commissioning of the SNS ring. The PyORBIT code, like the original one, has a two-layer structure. C++ is used to perform time-consuming computations, and the program flow is controlled from a Python language shell. The flexible structure makes it possible to use PyORBIT also for linac dynamics simulations. A benchmark of PyORBIT with Parmila and the XAL Online model is presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2015

SNL-SWAN

Source record↗

DOE OSTI2017

Cyber security using multi-threaded architecture data diode at the NBSR - 114

Ongoing upgrades for the control room of the National Bureau of Standards Reactor (NBSR) located at the National Institute of Standards and Technology (NIST) require the ability to collect sensor data from the secured reactor network and transfer to the outside network for trend analysis, while maintaining the security of the reactor network. To accomplish this, a data diode was created to provide a physical barrier that prevents any outside data from reaching the secured reactor network. The hardware of the data diode consists of two embedded computers, running Unix based operating systems, connected by three DB-9 serial cables. The serial cables have been modified so that only two wires, a ground and a transmission line, provide connection between the computers. The data diode relies on a multi-threaded architecture to collect and simultaneously transfer data over three serial connections. A software program, implemented in Java, has been written to request data from the digital recorders installed to monitor the NBSR process instrumentation and transfer that data across the serial connections. The data diode can collect over 1200 data points from multiple digital recorders each second. The collected data can then be stored in a relational database for later analysis. The source codes for the software are available open source on GitHub. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2022

Soil Incubation, Methane Pool Dilution, Edgewater, MD, USA, July 2022 v1.0.1

Isotopic pool dilution is a powerful approach to quantify gross biogeochemical transformation rates, but remains seldom used despite its potential. To facilitate broader implementation of pool dilution methods, we developed a user-friendly R package that optimizes gross production and consumption rates (and optionally fractionation constants as well) based on standard pool dilution time series data. This data package is the soil methane pool dilution data and code for building and using this software, including source code (R) and raw data (.csv). This package features extensive documentation and example analyses, and is easily integrated into analytical pipelines as R software is free and open source. Operation of this package requires R version 2.10 or newer, and we recommend its use in conjunction with packages testthat (3.0.0), knitr, rmarkdown, ggploto2, tibble, and tidyr.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Static analysis techniques for semiautomatic synthesis of message passing software skeletons

The design of high-performance computing architectures demands performance analysis of large-scale parallel applications to derive various parameters concerning hardware design and software development. The process of performance analysis and benchmarking an application can be done in several ways with varying degrees of fidelity. One of the most cost-effective ways is to do a coarse-grained study of large-scale parallel applications through the use of program skeletons. The concept of a “program skeleton” that we discuss in this article is an abstracted program that is derived from a larger program where source code that is determined to be irrelevant is removed for the purposes of the skeleton. In this work, we develop a semiautomatic approach for extracting program skeletons based on compiler program analysis. Finally, we demonstrate correctness of our skeleton extraction process by comparing details from communication traces, as well as show the performance speedup of using skeletons by running simulations in the SST/macro simulator.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Subhourly Clipping Correction Model Comparison

This work will compare the Allen method and Walker method of accounting for subhourly inverter clipping power losses in hourly PV performance models. The Allen method uses a matrix lookup based on DNI clearness and clipping potential to assign a clipping correction loss at each simulation timestep. The Walker method models the PV DC power input to the inverter as a distribution over the hourly timestep and uses integration over the timestep to determine the amount of clipping that occurs within the timestep. Both these models have been recently implemented in the System Advisor Model's (SAM) open-source code, and will be applied to hourly SURFRAD datasets to analyze the subhourly clipping loss predicted by each model for different system designs and inverter loading conditions. Both models will be compared to "true" 1-minute SURFRAD data simulations to see their accuracy against more accurate 1-minute clipping correction loss predictions. This model comparisons will be investigated in more detail at the PVSC conference in Seattle, Washington June 2024.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗