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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

MPAS-Albany Land Ice (MALI): a variable-resolution ice sheet model for Earth system modeling using Voronoi grids

Abstract. We introduce MPAS-Albany Land Ice (MALI) v6.0, a new variable-resolution land ice model that uses unstructured Voronoi grids on a plane or sphere. MALI is built using the Model for Prediction Across Scales (MPAS) framework for developing variable-resolution Earth system model components and the Albany multi-physics code base for the solution of coupled systems of partial differential equations, which itself makes use of Trilinos solver libraries. MALI includes a three-dimensional first-order momentum balance solver (Blatter–Pattyn) by linking to the Albany-LI ice sheet velocity solver and an explicit shallow ice velocity solver. The evolution of ice geometry and tracers is handled through an explicit first-order horizontal advection scheme with vertical remapping. The evolution of ice temperature is treated using operator splitting of vertical diffusion and horizontal advection and can be configured to use either a temperature or enthalpy formulation. MALI includes a mass-conserving subglacial hydrology model that supports distributed and/or channelized drainage and can optionally be coupled to ice dynamics. Options for calving include eigencalving , which assumes that the calving rate is proportional to extensional strain rates. MALI is evaluated against commonly used exact solutions and community benchmark experiments and shows the expected accuracy. Results for the MISMIP3d benchmark experiments with MALI's Blatter–Pattyn solver fall between published results from Stokes and L1L2 models as expected. We use the model to simulate a semi-realistic Antarctic ice sheet problem following the initMIP protocol and using 2 km resolution in marine ice sheet regions. MALI is the glacier component of the Energy Exascale Earth System Model (E3SM) version 1, and we describe current and planned coupling to other E3SM components.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Bioenergy cropping systems shape ant community composition and functional roles

R code and partial data for Haan, Helms, & Landis 2023, Bioenergy cropping systems shape ant community composition and functional roles, to be published in Frontiers in Conservation Science. The ant species list we use to generate the species matrix was uploaded previously (10.5281/zenodo.8215581) in association with another manuscript (Haan et al. 2023, Science Advances, Contrasting effects of bioenergy crops on biodiversity). Therefore here we include a small table with trait information for each species along with the R code used specifically for this manuscript.

ants↗
NASA NTRS1988

Ray tracing optical analysis of offset solar collector for space station solar dynamic system

OFFSET, a detailed ray tracing computer code, was developed at NASA Lewis Research Center to model the offset solar collector for the Space Station solar dynamic electric power system. This model traces rays from 50 points on the face of the Sun to 10 points on each of the 456 collector facets. The triangular facets are modeled with spherical, parabolic, or toroidal reflective surface contour and surface slope errors. The rays are then traced through the receiver aperture to the walls of the receiver. Images of the collector and of the Sun within the receiver produced by this code provide insight into the collector receiver interface. Flux distribution on the receiver walls, plotted by this code, is improved by a combination of changes to aperture location and receiver tilt angle. Power loss by spillage at the receiver aperture is computed and is considerably reduced by using toroidal facets.

Jefferies, Kent S.↗
NASA NTRS1988

Ray tracing optical analysis of offset solar collector for Space Station solar dynamic system

OFFSET, a detailed ray tracing computer code, was developed at NASA Lewis Research Center to model the offset solar collector for the Space Station solar dynamic electric power system. This model traces rays from 50 points on the face of the sun to 10 points on each of the 456 collector facets. The triangular facets are modeled with spherical, parabolic, or toroidal reflective surface contour and surface slope errors. The rays are then traced through the receiver aperture to the walls of the receiver. Images of the collector and of the sun within the receiver produced by this code provide insight into the collector receiver interface. Flux distribution on the receiver walls, plotted by this code, is improved by a combination of changes to aperture location and receiver tilt angle. Power loss by spillage at the receiver aperture is computed and is considerably reduced by using toroidal facets.

Jefferies, Kent S.↗
DOE OSTI2025

Demonstration of a code coupling framework for modeling beam-collimator impacts in the advanced photon source

The high-brightness beams being produced in current and future accelerators present new machine protection concerns with the potential for high-energy-density (HED) conditions ( >100 J/mm 3 ) in beam-intercepting components. Simulating HED conditions in accelerators requires utilizing a suite of physics codes for particle dynamics, particle-matter interactions, and hydrodynamics. This paper describes a method of coupling the codes elegant, fluka, and flash to simulate the effects of a rapid beam loss in the advanced photon source storage ring and the resulting interaction of the beam and collimators. This paper expands previous work [J. Dooling et al., Collimator irradiation studies at the advanced photon source, in Proceedings of the IBIC-2023 (2023), pp. 245–249] by introducing a definition of the evolving geometry of the collimator surface as well as providing methods for simulating the absorption of synchrotron radiation and tracking shower particles produced during beam strikes. We demonstrate this framework by simulating machine conditions of the APS ring before and after its recent upgrade. Simulation results are compared with observed damage to collimators and test samples taken from the APS ring.

Accelerator/storage ring control systems↗
DOE OSTI2023

Advancement of hybrid fluid-kinetic modeling for HEDP and ICF science

We report on the development progress of a hybrid fluid-kinetic code for simulating fluids and plasmas in a wide range of environments, such as laser–matter interactions, inertial confinement fusion, magnetic confinement fusion, and pulsed power. The suite of numerical tools under development utilizes heterogeneous computer architectures and leverages the benefits of particle–based simulation techniques. By working to combine the kinetic particle-in-cell (PIC) model with a particle-based fluid simulation technique, such as smoothed particle hydrodynamics, we are developing a flexible framework capable of accurately modeling complex flows within and between kinetic and fluid regimes. The TriForce code is under development as a C++ framework for parallel, 3D, particle-based, hybrid fluid-kinetic plasma simulations. The fluid half of TriForce will be based upon the meshless smoothed-particle-hydrodynamics (SPH) approach, well-suited for shear, mixing, and turbulence, whereas the kinetic half resembles a traditional particle-in-cell (PIC) code; other particle-based approaches to fluid modeling that do use a mesh are also possible to use and are under investigation. Maxwell’s electromagnetic field equations are solved either via explicit or implicit algorithms or approximated via resistive magnetohydrodynamics (MHD) using an Ohm’s law and resulting induction equation (extended MHD is under development). A primary goal of enabling direct comparisons, from the same code, between results from the variants of MHD and implicit electromagnetic solutions is to improve our fundamental understanding of systems with magnetic fields. The code is under development to recover results from both radiation-MHD and fully kinetic codes in those limits, and is continuing to be developed from other follow-on grants to operate in between where both descriptions may co-exist and interact. For certain applications, it is desired for a simulation to contain fluid ions and electrons as well as kinetic ions and electrons. Typically, it is too computationally intensive to model a full-scale ICF or HEDP experiment fully kinetically since many cycles are expended with very small time steps on modeling the fluid part of a material that is well treated by the fluid approximation. In this case, many traditional PIC particles can be replaced with a single fluid particle representing the thermal part of the distribution function, and there are fewer needed kinetic particles, which describe the non-thermal part and can be sub-cycled relative to the fluid particle advance. Furthermore, a pure fluid code may, depending on the problem, simply lack many physically important details that are beyond the scope of its reduced approximations and assumptions. In this report, we summarize the objectives achieved in the development of the collisional and kinetic half of the code, and the physics problems to which the code has been applied in the areas of advanced and innovative fusion concepts, pulsed power, and magneto-inertial fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1984

Undetected error probability and throughput analysis of a concatenated coding scheme

The performance of a proposed concatenated coding scheme for error control on a NASA telecommand system is analyzed. In this scheme, the inner code is a distance-4 Hamming code used for both error correction and error detection. The outer code is a shortened distance-4 Hamming code used only for error detection. Interleaving is assumed between the inner and outer codes. A retransmission is requested if either the inner or outer code detects the presence of errors. Both the undetected error probability and the throughput of the system are analyzed. Results indicate that high throughputs and extremely low undetected error probabilities are achievable using this scheme.

Costello, D. J.↗
NASA NTRS2000

Thermodynamic Analysis of the Combustion of Metallic Materials

Two types of computer codes are available to assist in the thermodynamic analysis of metallic materials combustion. One type of code calculates phase equilibrium data and is represented by CALPHAD. The other type of code calculates chemical reaction by the Gordon-McBride code. The first has seen significant application for alloy-phase diagrams, but only recently has it been considered for oxidation systems. The Gordon-McBride code has been applied to the combustion of metallic materials. Both codes are limited by their treatment of non-ideal solutions and the fact they are limited to treating volatile and gaseous species as ideal. This paper examines the significance of these limitations for combustion of metallic materials. In addition, the applicability of linear-free energy relationships for solid-phase oxidation and their possible extension to liquid-phase systems is examined.

Wilson, D. Bruce↗
DOE OSTI2018

Comparison of heavy-ion transport simulations: Collision integral in a box

Simulations by transport codes are indispensable to extract valuable physical information from heavy-ion collisions. In order to understand the origins of discrepancies among different widely used transport codes, we compare 15 such codes under controlled conditions of a system confined to a box with periodic boundary, initialized with Fermi-Dirac distributions at saturation density and temperatures of either 0 or 5 MeV. In such calculations, one is able to check separately the different ingredients of a transport code. In this second publication of the code evaluation project, we only consider the two-body collision term; i.e., we perform cascade calculations. When the Pauli blocking is artificially suppressed, the collision rates are found to be consistent for most codes (to within 1 % or better) with analytical results, or completely controlled results of a basic cascade code. In orderto reach that goal, it was necessary to eliminate correlations within the same pair of colliding particles that can be present depending on the adopted collision prescription. In calculations with active Pauli blocking, the blocking probability was found to deviate from the expected reference values. The reason is found in substantial phase-space fluctuations and smearing tied to numerical algorithms and model assumptions in the representation of phase space. This results in the reduction of the blocking probability in most transport codes, so that the simulated system gradually evolves away from the Fermi-Dirac toward a Boltzmann distribution. Since the numerical fluctuations are weaker in the Boltzmann-Uehling-Uhlenbeck codes, the Fermi-Dirac statistics is maintained there for a longer time than in the quantum molecular dynamics codes. As a result of this investigation, we are able to make judgements about the most effective strategies in transport simulations for determining the collision probabilities and the Pauli blocking. Finally, investigation in a similar vein of other ingredients in transport calculations, like the mean-field propagation or the production of nucleon resonances and mesons, will be discussed in the future publications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Enabling Parallel Execution of System-level Simulations in SAM

This report summarizes the recent code updates related to “element ghosting” in SAM to enable the parallel execution of system-level simulations using multiple processors/cores. Unlike typical MOOSE-based applications, for system-level simulations, SAM mostly deals with a collection of discrete small pieces of meshes, and the connection of physics on these meshes are realized by using “connector” types of components/code structures, such as conjugate heat transfer and flow junctions. The required code implementation is to correctly mark the necessary ghost elements for each type of such components/code structures; thus, the lower-level libraries can correctly perform the necessary data transfer between processors (CPUs) when executed in parallel mode. After the code updates, SAM can now run system-level simulations in the parallel mode. The parallel execution capability was then tested with an ABTR input model with 23k DOFs. Significant speedup was demonstrated when the optimal number of CPUs were used in parallel mode. Future systematic studies on parallelization performance using additional test cases covering different physics/scenarios will be needed to provide additional insights into the scalability of SAM parallelization.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Uncertainty Quantification in High-Low Dynamic System Coupling using RAVEN and TRANSFORM

This work demonstrates new functionality and applications stemming from the development of high-fidelity to low-fidelity (high-low) coupling for system simulations and to further explore the capabilities of the Risk Analysis Virtual Environment (RAVEN) in the performance of uncertainty quantification in this kind of high-low coupled system models. The work builds from previous work on high-low coupling that utilized COBRA-TF (CTF), the high-fidelity subchannel analysis code, with a low fidelity model built in ORNL’s TRANSFORM, the system analysis code, utilizing the Functional Mock-Up Interface (FMI). Steady-state and transient analysis examples using the high/low coupled models generated from CTF and TRANSFORM/FMI are investigated. The workflows for both steady-state and transient coupled simulations are described. A steady-state parameter sweep and uncertainty analysis of the primary flow rates and reactor power are demonstrated. Likewise, a transient pump trip and power ramp sensitivity studies are also demonstrated. This work elucidates some of the potential benefits and future needs of using RAVEN for high/low system coupling analysis of energy systems. It also shows some of the difficulties that can be encountered in coupling system simulations.

Williams, Wesley↗
NASA NTRS2006

Experimental Validation of a Closed Brayton Cycle System Transient Simulation

The Brayton Power Conversion Unit (BPCU) located at NASA Glenn Research Center (GRC) in Cleveland, Ohio was used to validate the results of a computational code known as Closed Cycle System Simulation (CCSS). Conversion system thermal transient behavior was the focus of this validation. The BPCU was operated at various steady state points and then subjected to transient changes involving shaft rotational speed and thermal energy input. These conditions were then duplicated in CCSS. Validation of the CCSS BPCU model provides confidence in developing future Brayton power system performance predictions, and helps to guide high power Brayton technology development.

Johnson, Paul K.↗
DOE OSTI2018

Optimization and Diagnostics Code for Technological Processes: Radiochemical Production Simulator

A software-hardware complex with the possibility of simulating the functioning of technological processes with APCS in real and accelerated time is being developed as part of Project Breakthrough in order to determine the optimal operating regimes of the technological processes of the units in a closed nuclear fuel cycle. It makes possible monitoring and control functions and the visualization and archiving of the results of simulation, which makes it possible at the development stages of technologies to evaluate the degree of adherence to the requirements of the technological equipment, regulating organs and final-control mechanisms, measurement apparatus, and monitoring channels, to analyze the control and diagnostics algorithms, blocking and protection, and to make when necessary changes in the design being developed. The developed software-hardware complex is a stimulator that will make it possible not only to investigate process schemes with their corresponding algorithms but also to develop training complexes for the training and certification of service personnel.

42 ENGINEERING↗
DOE OSTI2018

PyFly: A fast, portable aerodynamics simulator

Here, we present a fast, user-friendly implementation of a potential flow solver based on the unsteady vortex lattice method (UVLM), namely PyFly. UVLM computes the aerodynamic loads applied on lifting surfaces while capturing the unsteady effects such as the added mass forces, the growth of bound circulation, and the wake while assuming that the flow separation location is known a priori. This method is based on discretizing the body surface into a lattice of vortex rings and relies on the Biot–Savart law to construct the velocity field at every point in the simulated domain. We introduce the pointwise approximation approach to simulate the interactions of the far-field vortices to overcome the computational burden associated with the classical implementation of UVLM. The computational framework uses the Python programming language to provide an easy to handle user interface while the computational kernels are written in Fortran. The mixed language approach enables high performance regarding solution time and great flexibility concerning easiness of code adaptation to different system configurations and applications. The computational tool predicts the unsteady aerodynamic behavior of multiple moving bodies (e.g., flapping wings, rotating blades, suspension bridges) subject to incoming air. The aerodynamic simulator can also deal with enclosure effects, multi-body interactions, and B-spline representation of body shapes. Finally, we simulate different aerodynamic problems to illustrate the usefulness and effectiveness of PyFly.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Analysis of US Industrial Assessment Centers (IACs) implementation

Industrial energy assessments are a fundamental action toward developing a decarbonization strategy at any level. They provide an understanding of where energy efficiency opportunities exist and help to make informed business decisions about the costs and benefits of implementing sustainable policies and practices. This paper examines the effectiveness of the Department of Energy's Industrial Assessment Centers Program at providing useful energy-efficiency audits as well as the barriers faced by the program and plans for future growth and improvement. This paper presents an analysis of the program between 1981 and 2022, covering 20,290 industrial assessments and 151,198 recommendations, with $2.6 billion of recommended savings. The analysis includes a breakdown of the IAC recommendations and implemented projects based on both the industrial subsectors according to the Standard Industrial Classification code, energy type, and systems evaluated. The results include a 47 % implementation rate, a gap analysis to understand the missed opportunities, and a discussion about reasons for recommendation rejection. A comparison of the IAC Program with other country-level energy auditing or assessment programs was conducted, and suggestions for improving implementation rates were mentioned.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Probing the antiknock effect of anisole through an ignition, speciation and modeling study of its blends with isooctane

In order to unravel the reaction pathways relevant to anisole co-oxidation within a fuel blend, a detailed study of isooctane/anisole blends was performed with the ULille RCM. Ignition delays as well as mole fraction profiles were measured during a two-stage ignition delay using sampling and GC techniques. These results are used to validate a kinetic model developed from ab initio calculations for the most relevant rate constants which included H-atom abstraction reactions from anisole, and reactions on the potential energy surfaces of methoxyphenyl + O 2 and anisyl + O 2 . Pressure dependent rate constants were computed for the methoxyphenyl + O 2 and anisyl + O 2 reactive systems using master equation code analysis. The new kinetic model shows good agreement with the experimental data. Dual brute-force sensitivity analysis was performed, on both first- and second-stages of ignition, allowing the identification of the most important reactions in the prediction of both ignition delays. It was observed that while pure anisole does not show NTC behavior, a 60/40 isooctane/anisole blend displays such behavior, as well as two-stage ignition. This suggests anisole addition may not be as beneficial to knock resistance as expected from its high octane number. The kinetic modeling results demonstrate the importance of H-abstraction reactions both from the methoxy group and from the aryl ring in ortho-position and the addition of the resultant radicals to O2, mostly leading to the formation of polar or non-aromatic products.

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

OpenMSI Arrayed Analysis Toolkit: Analyzing Spatially Defined Samples Using Mass Spectrometry Imaging

Mass spectrometry imaging (MSI) has primarily been applied in localizing biomolecules within biological matrices. Although well-suited, the application of MSI for comparing thousands of spatially defined spotted samples has been limited. One reason for this is a lack of suitable and accessible data processing tools for the analysis of large arrayed MSI sample sets. In this paper, the OpenMSI Arrayed Analysis Toolkit (OMAAT) is a software package that addresses the challenges of analyzing spatially defined samples in MSI data sets. OMAAT is written in Python and is integrated with OpenMSI (http://openmsi.nersc.gov), a platform for storing, sharing, and analyzing MSI data. By using a web-based python notebook (Jupyter), OMAAT is accessible to anyone without programming experience yet allows experienced users to leverage all features. OMAAT was evaluated by analyzing an MSI data set of a high-throughput glycoside hydrolase activity screen comprising 384 samples arrayed onto a NIMS surface at a 450 μm spacing, decreasing analysis time >100-fold while maintaining robust spot-finding. The utility of OMAAT was demonstrated for screening metabolic activities of different sized soil particles, including hydrolysis of sugars, revealing a pattern of size dependent activities. Finally, these results introduce OMAAT as an effective toolkit for analyzing spatially defined samples in MSI. OMAAT runs on all major operating systems, and the source code can be obtained from the following GitHub repository: https://github.com/biorack/omaat.

47 OTHER INSTRUMENTATION↗