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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

A deterministic solution of the first order linear Boltzmann transport equation in the presence of external magnetic fields

Purpose: Accurate radiotherapy dose calculation algorithms are essential to any successful radiotherapy program, considering the high level of dose conformity and modulation in many of today’s treatment plans. As technology continues to progress, such as is the case with novel MRI-guided radiotherapy systems, the necessity for dose calculation algorithms to accurately predict delivered dose in increasingly challenging scenarios is vital. To this end, a novel deterministic solution has been developed to the first order linear Boltzmann transport equation which accurately calculates x-ray based radiotherapy doses in the presence of magnetic fields. Methods: The deterministic formalism discussed here with the inclusion of magnetic fields is outlined mathematically using a discrete ordinates angular discretization in an attempt to leverage existing deterministic codes. It is compared against the EGSnrc Monte Carlo code, utilizing the emf-macros addition which calculates the effects of electromagnetic fields. This comparison is performed in an inhomogeneous phantom that was designed to present a challenging calculation for deterministic calculations in 0, 0.6, and 3 T magnetic fields oriented parallel and perpendicular to the radiation beam. The accuracy of the formalism discussed here against Monte Carlo was evaluated with a gamma comparison using a standard 2%/2 mm and a more stringent 1%/1 mm criterion for a standard reference 10 × 10 cm{sup 2} field as well as a smaller 2 × 2 cm{sup 2} field. Results: Greater than 99.8% (94.8%) of all points analyzed passed a 2%/2 mm (1%/1 mm) gamma criterion for all magnetic field strengths and orientations investigated. All dosimetric changes resulting from the inclusion of magnetic fields were accurately calculated using the deterministic formalism. However, despite the algorithm’s high degree of accuracy, it is noticed that this formalism was not unconditionally stable using a discrete ordinate angular discretization. Conclusions: The feasibility of including magnetic field effects in a deterministic solution to the first order linear Boltzmann transport equation is shown. The results show a high degree of accuracy when compared against Monte Carlo calculations in all magnetic field strengths and orientations tested.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

lanl-met

Utility codes for EPC-CP Meteorology Team

Waight, Kenneth↗
DOE OSTI2026

Kinetic Model of HoxEFU reduction by NADH [SWR-26-087]

This repository is used to release code generated for manuscripts on the Photosynthetic Energy Transduction core program. This code simulates the reduction of HoxEFU by NADH. The electro transfer rate constants for the simulation are specified in the .csv files. The two .csv files correspond tot he two models described in Dawson et al. Cell. Rep. Phys. Sci. 2026. The code utilizes a chemical master equation, a set of differential equations, defining the time evolution of the oxidation and reduction kinetics of NAD+, NADH, a FMN flavin, and a set of iron sulfur clusters. The kinetics of HoxEFU reduction by NADH are evaluated by numerical integration of the chemical master equation using a variable-time-step Runge-Kutta algorithm.

Dahl, Peter [National Laboratory of the Rockies (N↗
DOE OSTI2022

Dataset for 'Ombadi, M. & Varadharajan, C. (2022). Urbanization and aridity mediate distinct salinity response to floods in rivers and streams across the Contiguous United States, Water Research'

This package contains data sets and code used to obtain the results in Ombadi, M., & Varadharajan, C. (2022). Urbanization and aridity mediate distinct salinity response to floods in rivers and streams across the Contiguous United States. Water Research, 118664. The folder "data" contains 259 .csv files, each of which has daily time series of concurrent streamflow (Q) and specific conductance (SC) for each of the sites used in this study originally downloaded from the USGS National Water Information System (NWIS; USGS, 2016). The number of data points in each of the files is at least 3650 (i.e. 10 years of daily measurements). The folder "RF_single_data" contains 259 .csv files, each of which include data used to train and test the Random Forest models at individual sites for predicting SC during days of floods. The folder "RF_regional_data" contains 3 .csv files, each of which include scaled data compiled from all sites within each climate zone (arid, temperate and wet). "metadata.csv" contains the physical properties of the 259 catchments corresponding to the sites used in this study; this data was extracted from GAGES-II dataset (Falcone et al., 2010). "RF_implementation.ipynb" is a Jupyter notebook with the code needed to implement the analysis using Random Forest models either for individual sites or for the regional models (for each climate zone). The code utilizes the data in the two folders: "RF_single_data" and "RF_regional_data" and the metadata.csv file.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

MAESTROeX: A Massively Parallel Low Mach Number Astrophysical Solver

MAESTROeX is a massively parallel, finite-volume C++/F90 solver for low Mach number astrophysical flows. Our code utilizes a low Mach number equation set allowing for more efficient, long-time integration of highly subsonic flows compared to compressible approaches. The recommended range of applicability is for flows where the Mach number does not exceed ~0.1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2011

CFD validation in OECD/NEA t-junction benchmark.

When streams of rapidly moving flow merge in a T-junction, the potential arises for large oscillations at the scale of the diameter, D, with a period scaling as O(D/U), where U is the characteristic flow velocity. If the streams are of different temperatures, the oscillations result in experimental fluctuations (thermal striping) at the pipe wall in the outlet branch that can accelerate thermal-mechanical fatigue and ultimately cause pipe failure. The importance of this phenomenon has prompted the nuclear energy modeling and simulation community to establish a benchmark to test the ability of computational fluid dynamics (CFD) codes to predict thermal striping. The benchmark is based on thermal and velocity data measured in an experiment designed specifically for this purpose. Thermal striping is intrinsically unsteady and hence not accessible to steady state simulation approaches such as steady state Reynolds-averaged Navier-Stokes (RANS) models.1 Consequently, one must consider either unsteady RANS or large eddy simulation (LES). This report compares the results for three LES codes: Nek5000, developed at Argonne National Laboratory (USA), and Cabaret and Conv3D, developed at the Moscow Institute of Nuclear Energy Safety at (IBRAE) in Russia. Nek5000 is based on the spectral element method (SEM), which is a high-order weighted residual technique that combines the geometric flexibility of the finite element method (FEM) with the tensor-product efficiencies of spectral methods. Cabaret is a 'compact accurately boundary-adjusting high-resolution technique' for fluid dynamics simulation. The method is second-order accurate on nonuniform grids in space and time, and has a small dispersion error and computational stencil defined within one space-time cell. The scheme is equipped with a conservative nonlinear correction procedure based on the maximum principle. CONV3D is based on the immersed boundary method and is validated on a wide set of the experimental and benchmark data. The numerical scheme has a very small scheme diffusion and is the second and the first order accurate in space and time, correspondingly. We compare and contrast simulation results for three computational fluid dynamics codes CABARET, Conv3D, and Nek5000 for the T-junction thermal striping problem that was the focus of a recent OECD/NEA blind benchmark. The corresponding codes utilize finite-difference implicit large eddy simulation (ILES), finite-volume LES on fully staggered grids, and an LES spectral element method (SEM), respectively. The simulations results are in a good agreement with experimenatl data. We present results from a study of sensitivity to computational mesh and time integration interval, and discuss the next steps in the simulation of this problem.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2016

Collaborative Research: A Model of Partially Ionized Plasma Flows with Kinetic Treatment of Neutral Atoms and Nonthermal Ions

Interactions of flows of partially ionized, magnetized plasma are frequently accompanied by the presence of both thermal and non-thermal (pickup) ion components. Such interactions cannot be modeled using traditional MHD equations and require more advanced approaches to treat them. If a nonthermal component of ions is formed due to charge exchange and collisions between the thermal (core) ions and neutrals, it experiences the action of magnetic field, its distribution function is isotropized, and it soon acquires the velocity of the ambient plasma without being thermodynamically equilibrated. This situation, e. g., takes place in the outer heliosphere - the part of interstellar space beyond the solar system whose properties are determined by the solar wind interaction with the local interstellar medium. This is also possible in laboratory, at million degrees and above, when plasma is conducting electricity far too well, which makes Ohmic heating ineffective. To attain the target temperatures one needs additional heating eventually playing a dominant role. Among such sources is a so-called neutral particle beam heating. This is a wide-spread technique (Joint European Torus and International Thermonuclear Experimental Reactor experiments) based on the injection of powerful beams of neutral atoms into ohmically preheated plasma. In this project we have investigated the energy and density separation between the thermal and nonthermal components in the solar wind and interstellar plasmas. A new model has been developed in which we solve the ideal MHD equations for mixture of all ions and the kinetic Boltzmann equation to describe the transport of neutral atoms. As a separate capability, we can treat the flow of neutral atoms in a multi-component fashion, where neutral atoms born in each thermodynamically distinct regions are governed by the Euler gas dynamic equations. We also describe the behavior of pickup ions either kinetically, using the Fokker–Planck equation, or as a separate fluid. Our numerical simulations have demonstrated that pickup ions play a major role in the interaction of the solar wind and (partially ionized) interstellar medium plasmas. Our teams have investigated the stability of the surface (the heliopause) that separates the solar wind from the local interstellar medium, the transport of galactic cosmic rays, the properties of the heliotail flow, and modifications to the bow wave in front of the heliopause due to charge exchange between the neutral H atoms born in the solar wind and interstellar ions. Modeling results have been validated against observational data, such as obtained by the Interstellar Boundary Explorer (IBEX), and made it possible to shed light on the structure of energetic neutral atom maps created by this spacecraft.. We have also demonstrated that charge-exchange modulated heliosphere is a source of anisotropy of the multi-TeV cosmic ray flux observed in a number of Earth-bound air shower experiments. Newly developed codes are implemented within a Multi-Scale Fluid-Kinetic Simulation Suite (MS-FLUKSS), a publicly available code being developed by our team for over 12 years. MS-FLUKSS scales well up to 160,000 computing cores and has been ported on major supercomputers in the country. Efficient parallelization and data choreography in the continuum simulation modules are provided by Chombo, an adaptive mesh refinement framework managed by Phillip Colella’s team at LBNL. We have implemented in-house, hybrid (MPI+OpenMP) parallelization of the kinetic modules that solve the Boltzmann equation with a Monte Carlo method. Currently, the kinetic modules are being rewritten to take advantage of the modern CPU-GPU supercomputer architecture. The scope of the project allowed us to enhance plasma research and education in such broad, multidis- ciplinary field as physics of partially ionized plasma and its application to space physics and fusion science. Besides the impact on the modeling of complex physical systems, our approach to computational resource management for complex codes utilizing multiple algorithm technologies appears to be a major advance on current approaches. The development of sophisticated resource management will be essential for all future modeling efforts that incorporate a diversity of scales and physical processes. Our effort provided leadership in promoting computational science and plasma physics within the UAH and FIT campuses and, through the training of a broad spectrum of scientists and engineers, foster new technologies across the country.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Justification for Use of the HELP Model to Estimate Infiltration Rates for the E-Area Low-Level Waste Facility Performance Assessment

Whiteside et al. conducted an in-depth literature review and performed basic infiltration model simulations to evaluate the Hydrologic Evaluation of Landfill Performance (HELP) model against five alternative computational codes utilizing the Richards equation for variably-saturated flow. Of the five alternatives considered (LEACHM, UNSAT-H, SVFlux, HYDRUS-2D3D, and VADOSE/W), only HYDRUS-2D3D and VADOSE/W were selected for further evaluation, which consisted of a side-by-side comparison versus HELP of calculated infiltration rates through a one-layer soil column with two percent slope.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

A New Capability of E4D For 3D Parallel Joint Inversion of DC Resistivity And Traveltime Data on Unstructured Mesh

A major challenge in interpreting geophysical data is how to derive consistent three-dimensional (3D) earth models of different physical properties from spatially and temporally limited measurements. Joint inversion with cross-gradient constraints is an approach to find such models by imposing structural similarities between different physical parameters. We have developed a parallel distributed-memory joint inversion code for direct-current (DC) resistivity and traveltime data using the cross-gradient constraint on unstructured mesh. The code utilizes existing E4D framework for parallel forward simulation, distributed storage and computation of the Jacobian matrix of forward operator, and parallel execution of matrix-vector multiplication during inversion. Besides, the joint inversion is solved by nonlinear conjugate gradient algorithm parallelized for DC resistivity and traveltime data. The joint inversion capability of E4D was tested using synthetic data from cross-borehole DC resistivity and traveltime data. The results indicate that the shape and size of the anomalies from the joint inversion are more reliable than those from separate inversions.

58 GEOSCIENCES↗
DOE OSTI2020

AniMACCS User Guide

AniMACCS is a utility code in the MELCOR Accident Consequence Code System (MACCS) software suite that allows for certain MACCS output information to be visually displayed and overlaid onto a geospatial map background. AniMACCS was developed by Sandia National Laboratories for the U.S. Nuclear Regulatory Commission. MACCS is designed to calculate health and economic consequences following a release of radioactive material in the atmosphere. MACCS accomplishes this by modeling the atmospheric dispersion, deposition, and consequences of the release, which depend on several factors including the source term, weather, population, economic, and land-use characteristics of the impacted geographical area. From these inputs, MACCS determines the characteristics of the plume, as well as ground and air concentrations as a function of time and radionuclide.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2021

CodeFlow: A Code Generation System for Flash-X Orchestration Runtime

We propose the CodeFlow toolchain for Flash-X that realizes the “recipe-to-source” code transformation for Flash-X simulations and that is necessary to achive performance portability. We design a high-level language to express operations of simulations in so-called recipes, which are given as input to the toolchain. The tools of the CodeFlow pipeline include code transformation with tree-based source code representation techniques and code orchestration and generation based on control flow graphs. The generated source code utilizes a new runtime, developed for Flash-X, that orchestrates dynamic and asynchronous data movement and task execution. The functionality of CodeFlow is demonstrated using a hydrodynamic problem with a strong shock.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

System Level Analysis Software Validation with Argonne's THETA Experimental Facility (Final CRADA Report)

Under this CRADA, the Contractor will be generating and collecting sodium-based experimental data with modern instrumentation. The Contractor will work symbiotically with the Participant to generate SAS4A/SASSYS-1 and SAM computational models of the THETA experimental facility for validation of the system-level analysis codes utilized by Oklo, Inc. This effort will be specifically focused on the design basis event space scoped by Chapter 15 of the NRC’s Standard Review Plan (NUREG-0800) with an emphasis on natural circulation and thermal stratification phenomena in a prototypic sodium-cooled fast reactor (SFR).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

TIGER, A thermodynamics Equilibrium Tool for Explosives Update: Improved Solver

The thermodynamic equilibrium code known as TIGER has been in use since the 1970s and is designed to calculate the performance of energetic materials during detonation at high temperatures and pressures. The original TIGER code utilized a limited database consisting of 12 gaseous and 3 condensed constituents, which were composed of the elements carbon (C), hydrogen (H), nitrogen (N), oxygen (O), and aluminum (Al). In contrast, the more modern JCZS3 database features a significantly larger dataset, including 756 gaseous species, 189 positive and negative ions, and 496 condensed constituents derived from 62 different elements. While this expanded product species database allows for the exploration of a broader range of problems relevant to our laboratory, it also introduces challenges related to convergence, particularly when both liquid and solid species coexist under a vapor dome. In this work, we present an improved TIGER solution technique aimed at accurately determining the equilibrium state for systems that can produce a diverse array of products, including both solid and liquid condensed species. This report presents the status of the TIGER solver as of the end of FY25. Ongoing efforts are focused on enhancing the solver, and the report outlines several planned improvements. We anticipate that further developments will require additional documentation in the future.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

The Yale–Potsdam Stellar Isochrones

We introduce the Yale–Potsdam Stellar Isochrones (YaPSI), a new grid of stellar evolution tracks and isochrones of solar-scaled composition. In an effort to improve the Yonsei–Yale database, special emphasis is placed on the construction of accurate low-mass models (M{sub ∗}<0.6 M{sub ⊙}), and in particular on their mass–luminosity and mass–radius relations, both crucial for characterizing exoplanet-host stars, and, in turn, their planetary systems. The YaPSI models cover the mass range 0.15–5.0 M{sub ⊙} densely enough to permit detailed interpolation in mass, and the metallicity and helium abundance ranges [Fe/H] = −1.5 to +0.3 and Y {sub 0} = 0.25–0.37 are specified independently of each other (i.e., no fixed ΔY/ΔZ relation is assumed). The evolutionary tracks are calculated from the pre-main sequence up to the tip of the red giant branch. The isochrones, with ages between 1 Myr and 20 Gyr, provide UBVRI colors in the Johnson–Cousins system, and JHK colors in the homogenized Bessell and Brett system, derived from two different semi-empirical T{sub eff}–color calibrations from the literature. We also provide utility codes, such as an isochrone interpolator, in age, metallicity, and helium content, and an interface of the tracks with an open-source Monte Carlo Markov-Chain tool for the analysis of individual stars. Finally, we present comparisons of the YaPSI models with the best empirical mass–luminosity and mass–radius relations available to date, as well as isochrone fitting of well-studied stellar clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

MAESTROeX

MAESTROeX is a massively parallel, finite-volume C++/F90 solver for low Mach number astrophysical flows. The code utilizes a low Mach number equation set allowing for more efficient, long-time integration of highly subsonic flows compared to compressible approaches. The recommended range of applicability is for flows where the Mach number does not exceed~0.1.

Harpole, Alice↗
NASA NTRS1980

ISSYS: An integrated synergistic Synthesis System

Integrated Synergistic Synthesis System (ISSYS), an integrated system of computer codes in which the sequence of program execution and data flow is controlled by the user, is discussed. The commands available to exert such control, the ISSYS major function and rules, and the computer codes currently available in the system are described. Computational sequences frequently used in the aircraft structural analysis and synthesis are defined. External computer codes utilized by the ISSYS system are documented. A bibliography on the programs is included.

Dovi, A. R.↗
NASA NTRS1981

The seasonal-cycle climate model

The seasonal cycle run which will become the control run for the comparison with runs utilizing codes and parameterizations developed by outside investigators is discussed. The climate model currently exists in two parallel versions: one running on the Amdahl and the other running on the CYBER 203. These two versions are as nearly identical as machine capability and the requirement for high speed performance will allow. Developmental changes are made on the Amdahl/CMS version for ease of testing and rapidity of turnaround. The changes are subsequently incorporated into the CYBER 203 version using vectorization techniques where speed improvement can be realized. The 400 day seasonal cycle run serves as a control run for both medium and long range climate forecasts alsensitivity studies.

Marx, L.↗
NASA NTRS1983

TAS: A Transonic Aircraft/Store flow field prediction code

A numerical procedure has been developed that has the capability to predict the transonic flow field around an aircraft with an arbitrarily located, separated store. The TAS code, the product of a joint General Dynamics/NASA ARC/AFWAL research and development program, will serve as the basis for a comprehensive predictive method for aircraft with arbitrary store loadings. This report described the numerical procedures employed to simulate the flow field around a configuration of this type. The validity of TAS code predictions is established by comparison with existing experimental data. In addition, future areas of development of the code are outlined. A brief description of code utilization is also given in the Appendix. The aircraft/store configuration is simulated using a mesh embedding approach. The computational domain is discretized by three meshes: (1) a planform-oriented wing/body fine mesh, (2) a cylindrical store mesh, and (3) a global Cartesian crude mesh. This embedded mesh scheme enables simulation of stores with fins of arbitrary angular orientation.

Thompson, D. S.↗