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DOE OSTI2023

Grid resolution requirement of chemical explosive mode analysis for large eddy simulations of premixed turbulent combustion

Full Article Figures & data References Citations Metrics Reprints & Permissions Read this article Abstract The grid resolution requirement for trustworthy Chemical Explosive Mode Analysis (CEMA) in Large Eddy Simulation (LES) of premixed turbulent combustion is proposed. Explicit filtering, to emulate the effect of the LES filter, is applied to one-dimensional laminar flame and three-dimensional planar turbulent flames across a wide range of Karlovitz numbers (5 - 239). The identification of the flame front by CEMA is found relatively insensitive to the cell size (Δ), while the combustion mode identification shows more significant sensitivity. Specifically, increasing Δ falsely enhances the auto-ignition and local extinction modes and suppresses the diffusion-assisted mode. Limited dependence of the CEMA performance on the turbulent combustion regime (Karlovitz number) is observed. A simple grid size criterion for reliable CEMA mode identification in LES is proposed as Δ ≲ δ L /2; The criterion can be relaxed to Δ ≲ δ L in the laminar flame limit. Furthermore, theoretical analysis is conducted on an idealised chemistry-diffusion system. The effects of the filtering process and turbulence on the local combustion mode are demonstrated, which is consistent with the numerical observations. Further, by incorporating turbulent combustion models in CEMA, potential improvement in identifying local combustion modes can be expected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1998

PCEMCAN - Probabilistic Ceramic Matrix Composites Analyzer: User's Guide, Version 1.0

PCEMCAN (Probabalistic CEramic Matrix Composites ANalyzer) is an integrated computer code developed at NASA Lewis Research Center that simulates uncertainties associated with the constituent properties, manufacturing process, and geometric parameters of fiber reinforced ceramic matrix composites and quantifies their random thermomechanical behavior. The PCEMCAN code can perform the deterministic as well as probabilistic analyses to predict thermomechanical properties. This User's guide details the step-by-step procedure to create input file and update/modify the material properties database required to run PCEMCAN computer code. An overview of the geometric conventions, micromechanical unit cell, nonlinear constitutive relationship and probabilistic simulation methodology is also provided in the manual. Fast probability integration as well as Monte-Carlo simulation methods are available for the uncertainty simulation. Various options available in the code to simulate probabilistic material properties and quantify sensitivity of the primitive random variables have been described. The description of deterministic as well as probabilistic results have been described using demonstration problems. For detailed theoretical description of deterministic and probabilistic analyses, the user is referred to the companion documents "Computational Simulation of Continuous Fiber-Reinforced Ceramic Matrix Composite Behavior," NASA TP-3602, 1996 and "Probabilistic Micromechanics and Macromechanics for Ceramic Matrix Composites", NASA TM 4766, June 1997.

Shah, Ashwin R.↗

DOE OSTI2023

Electric Vehicle Basics

Electric vehicles (EVs) use electricity as their primary fuel or to improve the efficiency of conventional vehicle designs. EVs include all-electric vehicles, also referred to as battery electric vehicles (BEVs), and plug-in hybrid electric vehicles (PHEVs). In colloquial references, these vehicles are called electric cars, or simply EVs, even though some of these vehicles still use liquid fuels in conjunction with electricity. EVs are known for providing instant torque and a quiet driver experience. Other types of electric-drive vehicles not covered here include hybrid electric vehicles, which are powered by a conventional engine and an electric motor that uses energy stored in a battery that is charged by regenerative braking, not by plugging in, and fuel cell electric vehicles, which use a propulsion system similar to electric vehicles, where energy stored as hydrogen is converted to electricity by the fuel cell.

ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2025

Electric Vehicle Basics (French Translation)

ADVANCED PROPULSION SYSTEMS,DIRECT ENERGY CONVERSI↗

DOE OSTI2022

UAE6 - Wind Tunnel Tests Data - UAE6 - Sequence W - Raw Data

Sequence W: Extended Blade (F) This test sequence used an upwind, rigid turbine with a 0° cone angle. The wind speed ranged from 5 m/s to 21 m/s, and the yaw angle was held at 0°. The blade pitch angle was 3°. The rotor rotated at 72 RPM. Blade pressure measurements were collected. The five-hole probes were removed and the plugs were installed. Plastic tape 0.03-mm thick was used to smooth the interface between the plugs and the blade. The teeter dampers were replaced with rigid links, and these two channels were flagged as not applicable by setting the measured values in the data file to –99999.99 Nm. The teeter link load cell was pretensioned to 40,000 N. During postprocessing, the probe channels were set to read –99999.99. The standard tip blocks were replaced with blade extensions that created a 5.532-m radius rotor as shown in Appendix A. The extension used the S809 airfoil throughout, and the linear taper of the blade continued along the extension. Note that the blade radius was not changed during post-processing so the pressure tap locations are at the same radial location, but the reference to 30% represents 30% of 5.029 m, not 5.532 m. Throughout this report, references to the blade span are made for the 5.029-m radius, not the 5.532-m radius.

17 WIND ENERGY↗

NASA NTRS2011

GLM Proxy Data Generation: Methods for Stroke/Pulse Level Inter-Comparison of Ground-Based Lightning Reference Networks

In order to produce useful proxy data for the GOES-R Geostationary Lightning Mapper (GLM) in regions not covered by VLF lightning mapping systems, we intend to employ data produced by ground-based (regional or global) VLF/LF lightning detection networks. Before using these data in GLM Risk Reduction tasks, it is necessary to have a quantitative understanding of the performance of these networks, in terms of CG flash/stroke DE, cloud flash/pulse DE, location accuracy, and CLD/CG classification error. This information is being obtained through inter-comparison with LMAs and well-quantified VLF/LF lightning networks. One of our approaches is to compare "bulk" counting statistics on the spatial scale of convective cells, in order to both quantify relative performance and observe variations in cell-based temporal trends provided by each network. In addition, we are using microsecond-level stroke/pulse time correlation to facilitate detailed inter-comparisons at a more-fundamental level. The current development status of our ground-based inter-comparison and evaluation tools will be presented, and performance metrics will be discussed through a comparison of Vaisala s Global Lightning Dataset (GLD360) with the NLDN at locations within and outside the U.S.

Cummins, Kenneth L.↗

DOE OSTI2025

Chemical timescale effects on detonation convergence

Numerical simulations of detonation-containing flows have emerged as crucial tools for designing next- generation power and propulsion devices. As these tools mature, it is important for the combustion community to properly understand and isolate grid resolution effects when simulating detonations. To this end, the objective of this work is to provide a comprehensive analysis of the numerical convergence of unsteady detonation simulations, with focus on isolating the impacts of chemical timescale modifications on convergence characteristics in the context of operator splitting. With the aid of an AMReX-based adaptive mesh refinement flow solver-which enables resolutions up to ($\mathcal{O}$ (1000) cells-per-induction length-the convergence analysis is conducted using two kinetics configurations: (1) the simplified three-step Arrhenius-based model mechanism of Short and Quirk (1997), where chemical timescales in the detonation are modified by adjusting activation energies in the initiation and branching reactions, and (2) a detailed hydrogen- air mechanism, where the chemical timescales are adjusted by varying the ambient pressure. The convergence of unsteady self-sustained detonations in one-dimensional channels is then analyzed with reference to steady-state theoretical baseline solutions using these mechanisms. The goal of the analysis is to provide a detailed comparison of the effects of grid resolution on both macroscopic (peak pressures and wave speeds) and microscopic (wave structure) quantities of interest, drawing connections between the deviations from steady-state baselines and minimum chemical timescales. In particular, chemical timescale reductions were found to have minimal impact on the convergence of macroscopic properties. Furthermore, analyses of microscopic convergence trends, particularly in the reaction front location, revealed a key insight: maintaining the induction time while eliminating prohibitive chemical timescales through mechanism simplifications and combustion modeling can significantly enhance detonation convergence properties. Ultimately, this work uncovers resolution-dependent unsteady detonation convergence regimes and highlights the important role played by not only the chemical timescales, but also the ratio between the chemical timescale and induction time on the numerical convergence of the detonation wave structure.

Adaptive mesh refinement↗

NASA NTRS1991

A preliminary design for a satellite power system

Outlined here is a preliminary design for a Solar Power Satellite (SPS) system. The SPS will provide a clean, reliable source of energy for mass consumption. The system will use satellites in geostationary orbits around the Earth to capture the sun's energy. The intercepted sunlight will be converted to laser beam energy which can be transmitted to the Earth's surface. Ground systems on the Earth will convert the transmissions from space into electric power. The preliminary design for the SPS consists of one satellite in orbit around the Earth transmitting to one ground station. The SPs technology uses multi-layer solar cell technology arranged on a 20 sq km planar array to intercept sunlight and convert it to an electric voltage. Power conditioning devices then send the electricity to a laser, which transmits the power to the surface of the Earth. A ground station will convert the beam into electricity. Construction will take place in low Earth orbit and array sections, 20 in total, will be sailed on the solar wind out to the GEO location in 150 days. These individual transportation sections are referred to as solar sailing panels (SSAPs). The primary truss elements used to support the arrays are composed on composite tubular members in a pentahedral arrangement. Smart segments consisting of passive and active damping devices will increase the control of dynamic SPS modes.

Enriquez, Clara V.↗

NASA NTRS2013

Performance Gains of Propellant Management Devices for Liquid Hydrogen Depots

This paper presents background, experimental design, and preliminary experimental results for the liquid hydrogen bubble point tests conducted at the Cryogenic Components Cell 7 facility at the NASA Glenn Research Center in Cleveland, Ohio. The purpose of the test series was to investigate the parameters that affect liquid acquisition device (LAD) performance in a liquid hydrogen (LH2) propellant tank, to mitigate risk in the final design of the LAD for the Cryogenic Propellant Storage and Transfer Technology Demonstration Mission, and to provide insight into optimal LAD operation for future LH2 depots. Preliminary test results show an increase in performance and screen retention over the low reference LH2 bubble point value for a 325 2300 screen in three separate ways, thus improving fundamental LH2 LAD performance. By using a finer mesh screen, operating at a colder liquid temperature, and pressurizing with a noncondensible pressurant gas, a significant increase in margin is achieved in bubble point pressure for LH2 screen channel LADs.

Hartwig, Jason W.↗

DOE OSTI2024

Providing Experimental Infrastructure for Accelerating Advanced Reactor Demonstrations through the National Reactor Innovation Center

A suite of experimental infrastructure projects has been developed by the National Reactor Innovation Center to accelerate advanced reactor demonstrations and facilitate their development, addressing crucial gaps in data, materials characterization, and modeling. First, the Molten Salt Thermophysical Examination Capability (MSTEC) provides a specialized platform for post-irradiation characterization of molten salt reactor fuel, coolant salts, and structural materials, essential for supporting the design and operation of advanced reactors and future commercial molten salt reactor development and licensing. The Virtual Test Bed (VTB) complements these efforts by leveraging advanced modeling and simulation tools to evaluate reactor performance and safety. Serving as a library of reference models, the VTB offers a database of multiphysics reactor models, facilitating rapid safety evaluations and includes continuous software quality assurance, crucial for accelerating deployment while maintaining reliability. Additionally, the Helium Component Test Facility (HeCTF) addresses the need for high-temperature helium-cooled reactor component testing. As the first-of-its-kind facility in the United States, HeCTF emulates high-temperature gas reactor conditions, reducing time and cost associated with component validation, thereby accelerating reactor development. Finally, In-cell Thermal Creep Frames provide a unique solution for obtaining thermal creep data from irradiated materials, critical for materials qualification and licensing. Developed by the National Reactor Innovation Center, these compact frames enable the examination of previously irradiated materials, overcoming traditional limitations and enhancing the understanding of mechanical properties crucial for reactor development. Collectively, these experimental infrastructure projects form a comprehensive framework aimed at expediting advanced reactor demonstrations, fostering innovation, and ensuring the viability of next-generation nuclear energy solutions.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS1995

A count probability cookbok: Spurious effects and the scaling model

We study the errors brought by finite volume effects and dilution effects on the practical determination of the count probability distribution function P(sub N)(n,l), which is the probability of having N objects in a cell of volume l cubed for a set of average number density n. Dilution effects are particularly revelant to the so-called sparse sampling strategy. This work is mainly done in the framework of the Bailan & Schaeffer scaling model, which assumes that the Q-body correlation functions obey the scaling relation Xi(sub Q)(lambda r(sub l),....lambda r(sub Q) = lambda(exp -(Q-1)gamma) Xi(sub Q)(r(sub 1),....r(sub Q)). We use three synthetic samples as references to perform our analysis: a fractal generated by a Rayleigh-Levy random walk with approximately 3 x 10(exp 4) objects, a sample dominated by a spherical power-law cluster with approximately 3 x 10(exp 4) objects and a cold dark matter (CDM) universe involving approximately 3 x 10(exp 5) matter particles.

Colombi, S.↗

DOE OSTI2024

IsoForma: An R Package for Quantifying and Visualizing Positional Isomers in Top-Down LC-MS/MS Data

Proteoforms, the different forms of a protein with sequence variations including post-translational modifications (PTMs), execute vital functions in biological systems such as cell signaling and epigenetic regulation. Precisely defining the stoichiometry of PTMs has been challenging because, in the widely used bottom-up proteomics methods, the detection occurs at the peptide level and thus the link between peptides and their specific modification site is lost, resulting in proteoform ambiguity. Advances in top-down mass spectrometry (MS) technology have permitted the direct characterization of intact proteoforms and their exact number of modification sites, allowing for the relative quantification of positional isomers (PI). Proteins with positional isomers refers to proteoforms with identical total mass and set of modifications but varying PTM site combinations. The relative abundance of PI can be estimated by matching proteoform-specific fragment ions to top-down tandem MS (MS2) data to localize and quantify modifications. However, current approaches heavily rely on manual annotation. Here, we present IsoForma, an open-source R package for relative quantification of PI within a single tool. We benchmarked IsoForma’s performance against two existing workflows and highlight the similarity of the results and improvements in speed. Overall, IsoForma provides a streamlined process, reduces the time of conducting isoform-based analyses, and offers an essential framework for developing customized proteoform analysis workflows. Finally, the software is open source and available at https://github.com/EMSL-Computing/isoforma-lib.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

VERA BWR progression problems

During the first phase of the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, the Virtual Environment for Reactor Applications (VERA) was developed with a focus on capabilities for high-fidelity, multiphysics simulation of pressurized water reactors (PWRs). During this development effort, a set of progression problems was created ranging from smaller pin cell calculations to larger 3D full-core calculations. These progression problems helped to guide the development of the software and served as benchmarks against which to test VERA. Since 2019, efforts have been made to extend the capabilities of VERA to model boiling water reactors (BWRs). Because BWR simulations come with many unique challenges, a set of BWR progression problems was developed to aid in this new effort. The BWR progression problems range from 2D lattice calculations to 3D mini-core problems, and reference neutronic solutions were computed using continuous-energy Monte Carlo codes. MPACT, one of the neutronics code in VERA, was benchmarked using the BWR progression problems. The code is capable of computing solutions to all problems. The eigenvalues computed by MPACT agree well with the Monte Carlo reference solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Update of Erosion Conditions and Assessment of Mitigation Options for the L-Bar Site

The L-Bar former uranium milling site was remediated and closed per regulations and is now under the long-term stewardship of the U.S. Department of Energy, Office of Legacy Management (DOE/LM). Since assuming stewardship in 2004, DOE/LM has observed erosion and sedimentation processes at the L-Bar Site that will challenge meeting the design closure criteria in the long term, and therefore erosion control structures were installed in several areas. Portions of these structures were subsequently damaged by summer convective storm events and they are being redesigned. At the request of DOE/LM, Desert Research Institute (DRI) reviewed the proposed redesign plans of the erosion control structures. The purpose of this review is to support DOE/LM decisions regarding mitigation of ongoing erosion processes, including assessing possible repair of the existing erosion control structures, as well as plan for effective long-term site management. This design review is performed in reference to the Uranium Mill Tailings Radiation Control Act (UMTRCA) standards contained in 40 CFR 192.02 that require containment of residual radioactive material be effective for up to 1,000 years (if achievable, but certainly for 200 years), limit radon release, protect groundwater, and minimize future maintenance. The erosion control structures under review are not subject to the UMTRCA standard directly, but they contribute to the performance of the overall containment system by virtue of their relationship with the large diversion channels bounding the disposal cell. The 11 design drawings included in “Erosion Control Alternatives Analysis, L-Bar, New Mexico, Disposal Site, LTS-111-0043-08-002,” dated January 11, 2019, and listed in Appendix A, and supporting calculations in Weston (2019) are the focus of the review. Additionally, DOE/LM provided supporting data such as a 2018 photogrammetry-based digital elevation model of the site, precipitation records collected from an on-site weather station, and sedimentation records collected at an on-site basin. This assessment includes review of the proposed design to mitigate current site conditions but also addresses site changes between the initial erosion assessment report (Miller et al., 2012) and current conditions. The analysis is at a predesign engineering level and does not include development of hydraulic or sediment transport models. Site precipitation data are included in Miller et al. (2012). The natural conditions of the site, the design of site diversion systems, observed erosion at the site, and predesign engineering analysis are used to develop a holistic view of the challenges to L-Bar Site stability and possible responsive actions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Data-Driven Smoothers for Extreme-Scale Computing

Patch-based relaxation refers to a family of methods for solving linear systems which partitions the matrix into smaller pieces often corresponding to groups of adjacent degrees of freedom residing within patches of the computational domain. The two most common families of patch-based methods are block-Jacobi and Schwarz methods, where the former typically corresponds to non-overlapping domains and the later implies some overlap. We focus on cases where each patch consists of the degrees of freedom on a finite element method mesh cell. Patch methods often capture complex local physics much more effectively than simpler point-smoothers such as Jacobi; however, forming, inverting, and applying each patch can be prohibitively expensive in terms of both storage and computation time. To this end, we propose several approaches for performing analysis on these patches and constructing a reduced representation. The compression techniques rely on either matrix norm comparisons or unsupervised learning via a clustering approach. We illustrate how it is frequently possible to retain/factor less than 5% of all patches and still develop a method that converges only a little slower than when all patches are stored/factored.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS1995

An Extended Lagrangian Method

A unique formulation of describing fluid motion is presented. The method, referred to as 'extended Lagrangian method,' is interesting from both theoretical and numerical points of view. The formulation offers accuracy in numerical solution by avoiding numerical diffusion resulting from mixing of fluxes in the Eulerian description. The present method and the Arbitrary Lagrangian-Eulerian (ALE) method have a similarity in spirit-eliminating the cross-streamline numerical diffusion. For this purpose, we suggest a simple grid constraint condition and utilize an accurate discretization procedure. This grid constraint is only applied to the transverse cell face parallel to the local stream velocity, and hence our method for the steady state problems naturally reduces to the streamline-curvature method, without explicitly solving the steady stream-coordinate equations formulated a priori. Unlike the Lagrangian method proposed by Loh and Hui which is valid only for steady supersonic flows, the present method is general and capable of treating subsonic flows and supersonic flows as well as unsteady flows, simply by invoking in the same code an appropriate grid constraint suggested in this paper. The approach is found to be robust and stable. It automatically adapts to flow features without resorting to clustering, thereby maintaining rather uniform grid spacing throughout and large time step. Moreover, the method is shown to resolve multi-dimensional discontinuities with a high level of accuracy, similar to that found in one-dimensional problems.

Liou, Meng-Sing↗

NASA NTRS2013

Recent Development in the CESE Method for the Solution of the Navier-Stokes Equations Using Unstructured Triangular or Tetrahedral Meshes With High Aspect Ratio

In the multidimensional CESE development, triangles and tetrahedra turn out to be the most natural building blocks for 2D and 3D spatial meshes. As such the CESE method is compatible with the simplest unstructured meshes and thus can be easily applied to solve problems with complex geometries. However, because the method uses space-time staggered stencils, solution decoupling may become a real nuisance in applications involving unstructured meshes. In this paper we will describe a simple and general remedy which, according to numerical experiments, has removed any possibility of solution decoupling. Moreover, in a real-world viscous flow simulation near a solid wall, one often encounters a case where a boundary with high curvature or sharp corner is surrounded by triangular/tetrahedral meshes of extremely high aspect ratio (up to 106). For such an extreme case, the spatial projection of a space-time compounded conservation element constructed using the original CESE design may become highly concave and thus its centroid (referred to as a spatial solution point) may lie far outside of the spatial projection. It could even be embedded beyond a solid wall boundary and causes serious numerical difficulties. In this paper we will also present a new procedure for constructing conservation elements and solution elements which effectively overcomes the difficulties associated with the original design. Another difficulty issue which was addressed more recently is the wellknown fact that accuracy of gradient computations involving triangular/tetrahedral grids deteriorates rapidly as the aspect ratio of grid cells increases. The root cause of this difficulty was clearly identified and several remedies to overcome it were found through a rigorous mathematical analysis. However, because of the length of the current paper and the complexity of mathematics involved, this new work will be presented in another paper.

Chang, Sin-Chung↗

DOE OSTI2023

Parallel transport modeling of linear divertor simulators with fundamental ion cyclotron heating *

Abstract The Material Plasma Exposure eXperiment (MPEX) is a steady state linear device with the goal to perform plasma material interaction studies at future fusion reactor relevant conditions. A prototype of MPEX referred as ‘Proto-MPEX’ is designed to carry out research and development related to source, heating and transport concepts on the planned full MPEX device. The auxiliary heating schemes in MPEX are based on cyclotron resonance heating with radio frequency (RF) waves. Ion cyclotron heating (ICH) and electron cyclotron heating in MPEX are used to independently heat the ions and electrons and provide fusion divertor conditions ranging from sheath-limited to fully detached divertor regimes at a material target. A hybrid particle-in-cell code- PICOS++ is developed and applied to understand the plasma parallel transport during ICH in MPEX/Proto-MPEX to the target. With this tool, evolution of the distribution function of MPEX/Proto-MPEX ions is modeled in the presence of (a) Coulomb collisions, (b) volumetric particle sources and (c) quasi-linear RF-based ICH. The code is benchmarked against experimental data from Proto-MPEX and simulation data from B2.5 EIRENE. The experimental observation of ‘density-drop’ near the target in Proto-MPEX and MPEX during ICH is demonstrated and explained via physics-based arguments using PICOS++ modeling. In fact, the density drops at the target during ICH in Proto-MPEX/MPEX to conserve the flux and to compensate for the increased flow during ICH. Furthermore, sensitivity scans of various plasma parameters with respect to ICH power are performed for MPEX to investigate its role on plasma transport and particle and energy fluxes at the target.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗