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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 937 records · Page 52
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Independent dosimetric assessment of the model EP917 episcleral brachytherapy plaque

Purpose: To investigate the influence of slot design on dose distributions and dose-volume histograms (DVHs) for the model EP917 plaque for episcleral brachytherapy. Methods: Dimensions and orientations of the slots were measured for three model EP917 plaques and compared to data in the Plaque Simulator (PS) treatment planning software (version 5.7.6). These independently determined coordinates were incorporated into the MCNP Monte Carlo simulation environment to obtain dose from the plaques in a water environment and in a clinical environment with ocular structures. A tumor volume was simulated as 5 mm in apical height and 11 mm in basal diameter. Variations in plaque mass density and composition; slot length, width, and depth; seed positioning; and Ag-marker rod positioning were simulated to examine their influence on plaque central axis (CAX) and planar dose distributions, and DVHs. Results: Seed shifts in a single slot toward the eye and shifts of the{sup 125}I-coated Ag rod within the capsule had the greatest impact on CAX dose distribution. A shift of 0.0994 mm toward the eye increased dose by 14%, 9%, 4.3%, and 2.7% at 1, 2, 5, and 10 mm, respectively, from the inner sclera. When examining the fully-modeled plaque in the ocular geometry, the largest dose variations were caused by shifting the Ag rods toward the sclera and shifting the seeds away from the globe when the slots were made 0.51 mm deeper, causing +34.3% and −69.4% dose changes to the outer sclera, respectively. At points along the CAX, dose from the full plaque geometry using the measured slot design was 2.4% ± 1.1% higher than the manufacturer-provided slot design and 2.2% ± 2.3% higher than the homogeneous calculation of PS treatment planning results. The ratio of D{sub 10} values for the measured slot design to the D{sub 10} values for the manufacturer-provided slot design was higher by 9%, 10%, and 19% for the tumor, inner sclera, and outer sclera, respectively. In comparison to the measured slot design, a theoretical plaque having narrower and deeper slots delivered 30%, 37%, and 62% lower D{sub 10} doses to the tumor, inner sclera, and outer sclera, respectively. Conclusions: While the measured positions of the slots on the model EP917 plaque were in close agreement (<0.7 mm) with the PS values, small differences in the slot shape caused substantial differences in dose distributions and DVH metrics. Increasing slot depth by 0.1 mm decreased outer scleral dose by 20%, yet shifting the Ag rods in the seeds toward the globe by 0.1 mm increased outer scleral dose by 35%. The clinical medical physicist is advised to measure these types of plaques upon acceptance testing before clinical use to inspect slot shape and position for comparison with data used for treatment planning purposes.

60 APPLIED LIFE SCIENCES↗
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 OSTI2014

Design of High-Fidelity Testing Framework for Secure Electric Grid Control

A solution methodology and implementation components are presented that can uncover unwanted, unintentional or unanticipated effects on electric grids from changes to actual electric grid control software. A new design is presented to leapfrog over the limitations of current modeling and testing techniques for cyber technologies in electric grids. We design a fully virtualized approach in which actual, unmodified operational software under test is enabled to interact with simulated surrogates of electric grids. It enables the software to influence the (simulated) grid operation and vice versa in a controlled, high fidelity environment. Challenges in achieving such capability include achieving low-overhead time control mechanisms in hypervisor schedulers, network capture and time-stamping, translation of network packets emanating from grid software into discrete events of virtual grid models, translation back from virtual sensors/actuators into data packets to control software, and transplanting the entire system onto an accurately and efficiently maintained virtual-time plane.

Yoginath, Srikanth B↗
DOE OSTI2022

DUNE Software and High Performance Computing

DUNE, like other HEP experiments, faces a challenge related to matching execution patterns of our production simulation and data processing software to the limitations imposed by modern high-performance computing facilities. In order to efficiently exploit these new architectures, particularly those with high CPU core counts and GPU accelerators, our existing software execution models require adaptation. In addition, the large size of individual units of raw data from the far detector modules pose an additional challenge somewhat unique to DUNE. Here we describe some of these problems and how we begin to solve them today with existing software frameworks and toolkits. We also describe ways we may leverage these existing software architectures to attack remaining problems going forward. This whitepaper is a contribution to the Computational Frontier of Snowmass21.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Lithium-ion battery physics and statistics-based state of health model

A pseudo-2d model using COMSOL Multiphysics® software is developed to simulate performance and performance degradation of Li-ion batteries consisting of layered and olivine cathodes with graphite anode when subjected to peak shaving grid service. Multiple degradation pathways are considered, including solid electrolyte interphase (SEI) formation and breakdown at the anode, cathode dissolution and its synergistic effect on SEI formation at the anode. The model is validated by simulating commercial cylindrical cell performance. A global model is developed to simulate performance across all chemistries, along with individual chemistry models using global model parameters as initial values. There is good agreement between these models for various optimization parameters such as SEI equilibrium potential, cathode dissolution exchange current density, solvent diffusivity in the SEI and SEI ionic conductivity. To circumvent time constraints related to the COMSOL model, a 0d global model is developed which fits data well and provides more clarity on differences in cathode dissolution exchange current density. Again, good agreement for various optimization parameters is obtained among the COMSOL global & individual chemistry models and the 0-d model. The lessons learned from the physics-based model is used to develop a top down statistics-based model using current, voltage and anode volumetric change per mole lithium intercalated, along with their interactions as degradation predictors. This model predicts out of sample degradation for multiple grid services and electric vehicle drive cycle with high accuracy and provides the pathway to develop an efficient battery management system combining machine learning and findings from physics-based computationally intensive algorithms.

Crawford, Aladsair J.↗
DOE OSTI2017

Light Curves and Spectra from a Unimodal Core-collapse Supernova

To assess the effectiveness of optical emission as a probe of spatial asymmetry in core-collapse supernovae (CCSNe), we apply in this paper the radiative transfer software SuperNu to a unimodal CCSN model. The SNSPH radiation hydrodynamics software was used to simulate an asymmetric explosion of a 16 ${M}_{\odot }$ zero-age main-sequence binary star. The ejecta has 3.36 ${M}_{\odot }$ with 0.024 ${M}_{\odot }$ of radioactive 56 Ni, with unipolar asymmetry along the z-axis. For 96 discrete angular views, we find a ratio between maximum and minimum peak total luminosities of ~1.36. The brightest light curves emerge from views orthogonal to the z-axis. Multigroup spectra from UV to IR are obtained. We find a shift in wavelength with viewing angle in a near-IR Ca ii emission feature, consistent with Ca being mostly in the unimode. We compare emission from the gray gamma-ray transfer in SuperNu and from the detailed gamma-ray transfer code Maverick. Relative to the optical light curves, the brightness of the gamma-ray emission is more monotonic with respect to viewing angle. UBVRI broadband light curves are also calculated. Parallel with the unimode, the U and B bands have excess luminosity at $\gtrsim 10$ days post-explosion, due to 56 Ni on the unimode. Finally, we compare our CCSN model with SN 2002ap, which is thought to have a similar ejecta morphology.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Simulation-Based Recovery Action Analysis Using the EMRALD Dynamic Risk Assessment Tool

A recovery action is defined as the action that prevents deviant conditions from producing unwanted effects. It generally indicates a kind of countermeasure performed in response to a failure of human action. The recovery actions especially play an important role in complex systems like nuclear power plants (NPPs), which consist of highly sophisticated controllers to ensure that desired performance and safety must be achieved and maintained. This is because a combination of human error and its recovery failure may be able to cause a catastrophic effect on a system. Analyzing recovery actions has been a critical part of HRA, which is a technique to evaluate human errors and provide human error probabilities (HEPs) for application in probabilistic safety assessment (PSA). If recovery actions are not adequately analyzed and applied to PSA models, the PSA results may be under-estimated or be not able to reasonably account for the failure of human actions in the context of PSA. For this reason, some regulatory documents such as ASME/ANS RA-Sb-2013 by the American Society for Mechanical Engineers and the American Nuclear Society and NUREG-1792 by U.S. Nuclear Regulatory Commission have emphasized the importance of recovery analysis within the HRA. A couple of existing HRA methods, such as the Technique for Human Error-Rate Prediction (THERP), the Cause-Based Decision Tree (CBDT), and the Korean Standard HRA (K-HRA), have respectively suggested their own approaches to the HRA recovery analysis. However, there are a couple of limitations to treating recovery actions using only the current HRA methods available. The biggest limitation is that the existing recovery analysis does not explicitly consider a variety of recovery action types and recovery sequences as they occur in actual NPPs. To handle the limitations of existing recovery analysis, this study proposes a simulation-based recovery analysis method using the Event Modeling Risk Assessment Using Linked Diagram (EMRALD) software. The EMRALD software is a dynamic simulation tool for PSA. It supports realistic and dynamic modeling of human actions as they would be performed at NPPs. It is also favorable to simultaneously model the specific moment at which an action is performed, the time it takes to perform the action, and the failure probability of that action. In this paper, a detailed methodology for modeling recovery actions in the simulation platform is proposed with a couple of examples. Then, outputs from the simulation are discussed as reviewing if this novel approach can complement the challenges of existing recovery analyses.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2024

Modeling Partial Reflection Paths for Infrasound Analysis

Numerical methods enabling simulation of scattered and partially reflected infrasonic propagation paths produced by interaction with fine-scale structure in the middle atmosphere have been implemented in the infraGA ray tracing software. This capability enables simulation of ensonification in the classical stratospheric “shadow zone” that has been observed during the Humming Roadrunner and LSECE surface explosion campaigns as well as in other data sets. In the case of LSECE, a pair of stations roughly 140 kilometers east of the source location observed arrivals with celerities (horizontal group velocities) slightly slower than observed stratospheric paths at similar azimuths. The arrivals exhibited increasing trace velocity later in the wavetrain indicating a steepening of the arrival path for longer or slower propagation paths. Simulation of partially reflected paths using the updated infraGA software methods finds good agreement between observed and predicted infrasonic ensonification at these locations within the stratospheric shadow zone. Further development of the partial reflection physics and comparison with other data sets is needed to more robustly understand how such anomalous infrasonic signals can be predicted; however, the demonstration of this capability is a promising first step in such analyses.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Review of recent WEC-Sim (v6.1) advanced features

WEC-Sim (Wave Energy Converter SIMulator) is an opensource software for modeling the motions, loads and power generation of wave energy converters. WEC-Sim performs simulations in the time domain using hydrodynamic coefficients calculated by boundary element method (BEM) frequency-domain potential flow solvers such as WAMIT, NEMOH, Capytaine, or Ansys AQWA. WEC-Sim development is ongoing, including various features, applications, and example cases used to demonstrate potential use-cases to meet the needs of the growing marine energy industry. Through input from a broad user base and an extensive team of developers and collaborators, new features of WEC-Sim are developed to expand the software’s use cases and improve overall functionality. Three new WEC-Sim features highlighted in this paper include updating WEC-Sim to be compatible with MoorDyn Version 2, incorporation of second order excitation loads (quadratic transfer functions) and allowing for dynamically changing hydrodynamics.

13 HYDRO ENERGY↗
DOE OSTI2024

Regional-scale fault-to-structure earthquake simulations with the EQSIM framework: Workflow maturation and computational performance on GPU-accelerated exascale platforms

Continuous advancements in scientific and engineering understanding of earthquake phenomena, combined with the associated development of representative physics-based models, is providing a foundation for high-performance, fault-to-structure earthquake simulations. However, regional-scale applications of high-performance models have been challenged by the computational requirements at the resolutions required for engineering risk assessments. The EarthQuake SIMulation (EQSIM) framework, a software application development under the US Department of Energy (DOE) Exascale Computing Project, is focused on overcoming the existing computational barriers and enabling routine regional-scale simulations at resolutions relevant to a breadth of engineered systems. This multidisciplinary software development—drawing upon expertise in geophysics, engineering, applied math and computer science—is preparing the advanced computational workflow necessary to fully exploit the DOE’s exaflop computer platforms coming online in the 2023 to 2024 timeframe. Achievement of the computational performance required for high-resolution regional models containing upward of hundreds of billions to trillions of model grid points requires numerical efficiency in every phase of a regional simulation. This includes run time start-up and regional model generation, effective distribution of the computational workload across thousands of computer nodes, efficient coupling of regional geophysics and local engineering models, and application-tailored highly efficient transfer, storage, and interrogation of very large volumes of simulation data. This article summarizes the most recent advancements and refinements incorporated in the workflow design for the EQSIM integrated fault-to-structure framework, which are based on extensive numerical testing across multiple graphics processing unit (GPU)-accelerated platforms, and demonstrates the computational performance achieved on the world’s first exaflop computer platform through representative regional-scale earthquake simulations for the San Francisco Bay Area in California, USA.

58 GEOSCIENCES↗
DOE OSTI2024

Then and Now: Improving Software Portability, Productivity, and 100× Performance

The US Exascale Computing Project (ECP) has succeeded in preparing applications to run efficiently on the first reported Exascale supercomputers in the world. To achieve this, it modernized the whole leadership software stack, from libraries to simulation codes. In this article, we contrast selected leadership software before and after ECP. We discuss how sustainable research software development for leadership computing can embrace the conversation with the hardware vendors, the leadership computing facilities, the software community, and the domain scientists who are the application developers and integrators of software products. We elaborate on how software needs to take portability as a central design principle and to benefit from interdependent teams; we also demonstrate how moving to programming languages with high momentum, like modern C++, can help improve the sustainability, interoperability, and performance of research software. Finally, we showcase how cross-institutional efforts can enable algorithm advances that are beyond incremental performance optimization.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Crosslink V.0.11.x User Manual

CrossLink is a novel two-dimensional and three-dimensional geometry and mesh generation software package developed by the Simulation Tools team at Los Alamos National Laboratory. This software represents the third generation of topology-based mesh generation technology developed by the Department of Defense and the Department of Energy with a special focus on complex multi-material hydrodynamic applications, mesh scalability, and high-order element mesh generation. The topology-based meshing approach offered by CrossLink enables users to quickly and easily mesh complex geometries in a repeatable and robust manner. CrossLink’s topology-based meshing approach is well-suited for parametric design studies, parametric design optimization, damage scenario assessment, and iterative design modification (i.e. feature addition and/or removal). CrossLink’s python API allows workflow scripting of the geometry creation and mesh generation process for traceability, repeatability, data provenance, and version control. CrossLink consists of three main components: a graphical user interface (GUI), a geometry creation and mesh generation engine, and a python API that provides a workflow scripting interface to the geometry and meshing functions.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Transient Cold Flow Simulation of Fast Fluidized Bed Fuel Reactors for Chemical-Looping Combustion

Circulating fluidized bed in chemical-looping combustion (CLC) is a recent technology that provides great advantage for gas–solid interaction and efficiency. In order to obtain a thorough understanding of this technology and to assess its effectiveness for industrial scale deployment, numerical simulations are conducted. Computational fluid dynamics (CFD) simulations are performed with dense discrete phase model (DDPM) to simulate the gas–solid interactions. CFD commercial software ansysfluent is used for the simulations. Two bed materials of different particle density and diameter, namely the molochite and Fe100, are used in studying the hydrodynamics and particle behavior in a fuel reactor corresponding to the experimental setup of Haider et al. (2016, “A Hydrodynamic Study of a Fast-Bed Dual Circulating Fluidized Bed for Chemical Looping Combustion,” Energy Technol., 4(10), pp. 1254–1262.) at Cranfield University in the UK. Both the simulations show satisfactory agreement with the experimental data for both the static pressure and volume fraction at various heights above the gas inlet in the reactor. It is found that an appropriate drag law should be used in the simulation depending on the particle size and flow conditions in order to obtain accurate results. Furthermore, the simulations demonstrate the ability of CFD/DDPM to accurately capture the physics of circulating fluidized bed-based CLC process at pilot scale which can be extended to industrial scale projects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

Hard Rock Drilling Optimization Software

The main objective of the developed software is to reduce the cost per foot during drilling, in other words, optimize the drilling operational parameters in achieving optimum ROP while avoiding critical operational parameters due to either low ROP, drillstring vibration, accelerated cutter wear, or low MSE. The developed software can also be used for post-well analysis to provide insight and lessons learned for future drilling operations. Several functions are available in the software to help the user perform drilling analysis, optimization, and simulation.

15 GEOTHERMAL ENERGY↗
DOE OSTI2010

Comparison of GEANT4 very low energy cross section models with experimental data in water

Purpose: The GEANT4 general-purpose Monte Carlo simulation toolkit is able to simulate physical interaction processes of electrons, hydrogen and helium atoms with charge states (H{sup 0}, H{sup +}) and (He{sup 0}, He{sup +}, He{sup 2+}), respectively, in liquid water, the main component of biological systems, down to the electron volt regime and the submicrometer scale, providing GEANT4 users with the so-called ''GEANT4-DNA'' physics models suitable for microdosimetry simulation applications. The corresponding software has been recently re-engineered in order to provide GEANT4 users with a coherent and unique approach to the simulation of electromagnetic interactions within the GEANT4 toolkit framework (since GEANT4 version 9.3 beta). This work presents a quantitative comparison of these physics models with a collection of experimental data in water collected from the literature. Methods: An evaluation of the closeness between the total and differential cross section models available in the GEANT4 toolkit for microdosimetry and experimental reference data is performed using a dedicated statistical toolkit that includes the Kolmogorov-Smirnov statistical test. The authors used experimental data acquired in water vapor as direct measurements in the liquid phase are not yet available in the literature. Comparisons with several recommendations are also presented. Results: The authors have assessed the compatibility of experimental data with GEANT4 microdosimetry models by means of quantitative methods. The results show that microdosimetric measurements in liquid water are necessary to assess quantitatively the validity of the software implementation for the liquid water phase. Nevertheless, a comparison with existing experimental data in water vapor provides a qualitative appreciation of the plausibility of the simulation models. The existing reference data themselves should undergo a critical interpretation and selection, as some of the series exhibit significant deviations from each other. Conclusions: The GEANT4-DNA physics models available in the GEANT4 toolkit have been compared in this article to available experimental data in the water vapor phase as well as to several published recommendations on the mass stopping power. These models represent a first step in the extension of the GEANT4 Monte Carlo toolkit to the simulation of biological effects of ionizing radiation.

61 RADIATION PROTECTION AND DOSIMETRY↗