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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
NASA NTRS2012

The Influence of Realistic Reynolds Numbers on Slat Noise Simulations

The slat noise from the 30P/30N high-lift system has been computed using a computational fluid dynamics code in conjunction with a Ffowcs Williams-Hawkings solver. Varying the Reynolds number from 1.71 to 12.0 million based on the stowed chord resulted in slight changes in the radiated noise. Tonal features in the spectra were robust and evident for all Reynolds numbers and even when a spanwise flow was imposed. The general trends observed in near-field fluctuations were also similar for all the different Reynolds numbers. Experiments on simplified, subscale high-lift systems have exhibited noticeable dependencies on the Reynolds number and tripping, although primarily for tonal features rather than the broadband portion of the spectra. Either the 30P/30N model behaves differently, or the computational model is unable to capture these effects. Hence, the results underscore the need for more detailed measurements of the slat cove flow.

Lockard, David P.↗
NASA NTRS2016

Agile Multi-Scale Decompositions for Automatic Image Registration

In recent works, the first and third authors developed an automatic image registration algorithm based on a multiscale hybrid image decomposition with anisotropic shearlets and isotropic wavelets. This prototype showed strong performance, improving robustness over registration with wavelets alone. However, this method imposed a strict hierarchy on the order in which shearlet and wavelet features were used in the registration process, and also involved an unintegrated mixture of MATLAB and C code. In this paper, we introduce a more agile model for generating features, in which a flexible and user-guided mix of shearlet and wavelet features are computed. Compared to the previous prototype, this method introduces a flexibility to the order in which shearlet and wavelet features are used in the registration process. Moreover, the present algorithm is now fully coded in C, making it more efficient and portable than the MATLAB and C prototype. We demonstrate the versatility and computational efficiency of this approach by performing registration experiments with the fully-integrated C algorithm. In particular, meaningful timing studies can now be performed, to give a concrete analysis of the computational costs of the flexible feature extraction. Examples of synthetically warped and real multi-modal images are analyzed.

Science Data Processing↗
NASA NTRS2016

Agile Multi-Scale Decompositions for Automatic Image Registration

In recent works, the first and third authors developed an automatic image registration algorithm based on a multiscale hybrid image decomposition with anisotropic shearlets and isotropic wavelets. This prototype showed strong performance, improving robustness over registration with wavelets alone. However, this method imposed a strict hierarchy on the order in which shearlet and wavelet features were used in the registration process, and also involved an unintegrated mixture of MATLAB and C code. In this paper, we introduce a more agile model for generating features, in which a flexible and user-guided mix of shearlet and wavelet features are computed. Compared to the previous prototype, this method introduces a flexibility to the order in which shearlet and wavelet features are used in the registration process. Moreover, the present algorithm is now fully coded in C, making it more efficient and portable than the MATLAB and C prototype. We demonstrate the versatility and computational efficiency of this approach by performing registration experiments with the fully-integrated C algorithm. In particular, meaningful timing studies can now be performed, to give a concrete analysis of the computational costs of the flexible feature extraction. Examples of synthetically warped and real multi-modal images are analyzed.

Science Data Processing↗
DOE OSTI2019

Integrated Simulation Capabilities for Analysis of Experiments in the Versatile Test Reactor

The DOE-initiated Versatile Test Reactor (VTR) program aims to establish a domestic fast-neutron irradiation testing capability that meets a variety of domestic and international nuclear energy needs. Currently, integrated tools capable of mechanistic modeling of VTR and a test vehicle do not exist. To address this modeling and analysis deficiency, Argonne's SAS4A/SYSSYS-1 safety analysis code has been coupled with SAM (System Analysis Module) to provide a novel modeling capability that supports VTR and other fast test facilities. This report documents the design, implementation, and testing of this integrated capability. A coupling boundary has been identified at the test vehicle and primary coolant interface, where SAS4A/SASSYS-1 treats primary coolant thermal hydraulics outside the test vehicle, while SAM treats all thermal hydraulic behavior within the test vehicle, including the vehicle walls. Essential to this integrated tool is its newly developed capability to properly model the conjugate heat transfer process which ensures equality of temperatures and heat fluxes at the vehicle wall interface while ensuring energy conservation. A range of testing has been completed to support demonstration of this interface. The testing scope includes steady-state verification using a series of increasingly complex analytical solutions and transient demonstration for a range of design basis accident scenarios using prototypic VTR and test vehicle (i.e. cartridge loop) configurations. Results of this testing confirm verification of the steady-state solutions and provide reasonable and expected transient behavior. The coupling interface has been developed to be robust yet flexible. The implementation within SAS4A/SASSYS-1 supports coupling to any external software or module. The use of decomposed domains and the existing in-core thermal-hydraulic calculational framework within SAS4A/SASSYS-1 enable treatment of arbitrary test vehicle geometries with nonuniform meshing between SAS4A/SASSYS-1 and the coupled code. Modeling of multiple test locations is also supported. Furthermore, computational efficiency is enhanced by utilizing named pipes (or FIFOs), an interface for interprocess communication (IPC).

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2022

Modernization efforts for the R -Matrix code SAMMY [Abstract]

The R-Matrix code SAMMY is a widely used nuclear data evaluation code focused on the resolved range, which includes corrections for experimental effects. The code is still mostly written in Fortran 77, and uses a memory management system suitable for the time of its initial writing (1984). A modernization effort is under way to bring the code in-line with modern software development practices. A continuous-integration testing framework was added, automating the large existing set of test cases. It is run on every commit. The memory management was updated to current standard practices suitable for modern software analysis tools. The code can be obtained from https://code.ornl.gov/RNSD/SAMMY. The resonance parameters and covariance information are now stored in C++ objects shared by SAMMY and AMPX, the processing code that generates nuclear data libraries for SCALE. This allows for easier maintenance and access to the resonance parameters inside and outside of SAMMY. This feature is already used by accessing and changing parameters in memory in the Bayesian Monte Carlo Evaluation Framework for Cross Sections Nuclear Data and Integral Benchmark Experiments project, Further plans include the switch to the ENDF reading and writing routines in AMPX, as these routines are more robust, easier to maintain, and support more features. Of note here is support for the new GNDS format. Previously it wasn’t easy to share the full covariance matrix for evaluations containing more than one isotope due to limitations on the ENDF format; this is now supported in GNDS. The data are currently available in a binary SAMMY format and can be exported to GNDS to make them more widely available and sharable. The next step will be to use the same resonance processing code at 0K in AMPX and SAMMY as one of the available Reich-Moore R-Matrix formalism. The first step toward this goal is to isolate the reconstruction into a module that takes resonance parameters as its input and does not depend on SAMMY global parameters. This goal has been achieved and it should now be possible to more easily change the resonance formalism and add enhancements as the Phenomenological R-Matrix parameterization of direct, doorway, and compound nuclear reactions discussed elsewhere on this conference. This concerted modernization and enhancement effort provides multiple advantages to the nuclear data community. It will allow parameter optimization using enhanced formalisms, including experimental effects, that better match complex experimental data. Then those evaluated parameters can immediately be passed off to AMPX to be reconstructed with the exact same cross section model and be put into a data library for subsequent testing using SCALE and the Valid Benchmark suite or other suitable benchmark suites.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1990

Implicit solution of three-dimensional internal turbulent flows

The scalar form of the approximate factorization method was used to develop a new code for the solution of three-dimensional internal laminar and turbulent compressible flows. The Navier-Stokes equations in their Reynolds-averaged form are iterated in time until a steady solution is reached. Evidence is given to the implicit and explicit artificial damping schemes that proved to be particularly efficient in speeding up convergence and enhancing the algorithm robustness. A conservative treatment of these terms at domain boundaries is proposed in order to avoid undesired mass and/or momentum artificial fluxes. Turbulence effects are accounted for by the zero-equation Baldwin-Lomax turbulence model and the q-omega two-equation model. For the first, an investigation on the model behavior in case of multiple boundaries is performed. The flow in a developing S-duct is then solved in the laminar regime at Reynolds number (Re) 790 and in the turbulent regime at Re=40,000 using the Baldwin-Lomax model . The Stanitz elbow is then solved using an inviscid version of the same code at M(sub inlet)=0.4. Grid dependence and convergence rate are investigated showing that for this solver the implicit damping scheme may play a critical role for convergence characteristics. The same flow at Re=2.5x10(exp 6) is solved with the Baldwin-Lomax and the q-omega models. Both approaches showed satisfactory agreement with experiments, although the q-omega model is slightly more accurate.

Michelassi, V.↗
DOE OSTI2021

Simplifying computational workflows with the Multiscale Atomic Zeolite Simulation Environment (MAZE)

Zeolites, an important class of 3-dimensional nanoporous materials, have been widely explored for a variety of applications including gas storage, separations, and catalysis. As the properties of these aluminosilicate materials depend on a number of factors (e.g., framework topology, Si/Al ratio, extra-framework cations etc.), detailed experiments (e.g., catalytic properties, adsorption capacities etc.) are often limited to only a handful of materials. Computational methods have played an important role in (1) providing molecular level insights to rationalize experimental observations, and (2) screening large libraries of zeolites to identify promising candidates for experimental synthesis and validation. Different levels of theory and computational chemistry codes are necessary to describe the range of relevant phenomena such as adsorption (e.g., grand canonical Monte Carlo), diffusion (e.g., molecular dynamics), and chemical reactions (e.g., density functional theory). Manipulation of atomic structures, handling of input files, and developing robust workflows becomes quite cumbersome. To mitigate these challenges, we describe the development of the Multiscale Atomic Zeolite Simulation Environment (MAZE) – a Python package that simplifies zeolite-specific calculation workflows by providing a user-friendly interface for systematically manipulating zeolite structures

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Scalable fermionic error correction in Majorana surface codes

We study the error correcting properties of Majorana surface codes (MSCs), topological quantum codes constructed out of interacting Majorana fermions, which can be used to store quantum information and perform quantum computation. Furthermore, these quantum memories suffer from purely “fermionic” errors, such as quasiparticle poisoning (QP), that have no analog in conventional platforms with bosonic qubits. In physical realizations where QP dominates, we show that errors can be corrected provided that the poisoning rate is below a threshold of ~11%. When QP is highly suppressed and fermionic bilinear (“bosonic”) errors become dominant, we find an error threshold of ~16%, which is much higher than the threshold for spin-based topological memories like the surface code or the color code. In addition, we derive lattice gauge theories to account for measurement errors. These results, together with the inherent error suppression provided by the superconducting gap in physical realizations of the MSCs, makes this a strong candidate for a robust topological quantum memory.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Promising approaches for the assembly of the catalytically active, recombinant Desulfomicrobium baculatum hydrogenase with substitutions at the active site

Background: Hydrogenases (H2ases) are metalloenzymes capable of the reversible conversion of protons and electrons to molecular hydrogen. Exploiting the unique enzymatic activity of H2ases can lead to advancements in the process of biohydrogen evolution and green energy production. Results: Here we created of a functional, optimized operon for rapid and robust production of recombinant [NiFe] Desulfomicrobium baculatum hydrogenase (Dmb H2ase). The conversion of the [NiFeSe] Dmb H2ase to [NiFe] type was performed on genetic level by site-directed mutagenesis. The native dmb operon includes two structural H2ase genes, coding for large and small subunits, and an additional gene, encoding a specific maturase (protease) that is essential for the proper maturation of the enzyme. Dmb, like all H2ases, needs intricate bio-production machinery to incorporate its crucial inorganic ligands and cofactors. Strictly anaerobic, sulfate reducer D. baculatum bacteria are distinct, in terms of their biology, from E. coli. Thus, we introduced a series of alterations within the native dmb genes. As a result, more than 100 elements, further compiled into 32 operon variants, were constructed. The initial requirement for a specific maturase was omitted by the artificial truncation of the large Dmb subunit. The assembly of the produced H2ase subunit variants was investigated both, in vitro and in vivo. This approach resulted in 4 recombinant [NiFe] Dmb enzyme variants, capable of H 2 evolution. The aim of this study was to overcome the gene expression, protein biosynthesis, maturation and ligand loading bottlenecks for the easy, fast, and cost-effective delivery of recombinant [NiFe] H2ase, using a commonly available E. coli strains. Conclusion: The optimized genetic constructs together with the developed growth and purification procedures appear to be a promising platform for further studies toward fully-active and O 2 tolerant, recombinant [NiFeSe] Dmb H2ase, resembling the native Dmb enzyme. It could likely be achieved by selective cysteine to selenocysteine substitution within the active site of the [NiFe] Dmb variant.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Reweighting Monte Carlo predictions and automated fragmentation variations in Pythia 8

This work reports on a method for uncertainty estimation in simulated collider-event predictions. The method is based on a Monte Carlo-veto algorithm, and extends previous work on uncertainty estimates in parton showers by including uncertainty estimates for the Lund string-fragmentation model. This method is advantageous from the perspective of simulation costs: a single ensemble of generated events can be reinterpreted as though it was obtained using a different set of input parameters, where each event now is accompanied with a corresponding weight. This allows for a robust exploration of the uncertainties arising from the choice of input model parameters, without the need to rerun full simulation pipelines for each input parameter choice. Such explorations are important when determining the sensitivities of precision physics measurements. Accompanying code is available at https://gitlab.com/uchep/mlhad-weights-validation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Field Work Proposal ERKJ358: Black-box training for scientific machine learning models (Final Report)

The overarching goal of this project is to develop a scalable black-box training capability for scientific machine learning (SciML) problems that are non-trainable with existing automatic differentiation (AD)-based algorithms. AD assumes that a loss function can be decomposed into a sequence of elementary operations whose derivatives are known. This assumption is violated when the loss function includes a black-box physical model (e.g., a legacy simulator). The current strategy, converting a black-box simulator to an AD-enabled code via differential programming, is inflexible and time-, labor-consuming. Thus, black-box optimization is a main workhorse for training SciML models, e.g., in scientific reinforcement learning, hyper-parameter fine tuning, designing SciML models with adversarial robustness, etc.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

CosmosDG: An hp -adaptive Discontinuous Galerkin Code for Hyper-resolved Relativistic MHD

We have extended Cosmos++, a multidimensional unstructured adaptive mesh code for solving the covariant Newtonian and general relativistic radiation magnetohydrodynamic (MHD) equations, to accommodate both discrete finite volume and arbitrarily high-order finite element structures. The new finite element implementation, called CosmosDG, is based on a discontinuous Galerkin (DG) formulation, using both entropy-based artificial viscosity and slope limiting procedures for the regularization of shocks. High-order multistage forward Euler and strong-stability preserving Runge–Kutta time integration options complement high-order spatial discretization. We have also added flexibility in the code infrastructure allowing for both adaptive mesh and adaptive basis order refinement to be performed separately or simultaneously in a local (cell-by-cell) manner. We discuss in this report the DG formulation and present tests demonstrating the robustness, accuracy, and convergence of our numerical methods applied to special and general relativistic MHD, although we note that an equivalent capability currently also exists in CosmosDG for Newtonian systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2005

Towards Rocket Engine Components with Increased Strength and Robust Operating Characteristics

High-energy rotating machines, powering liquid propellant rocket engines, are subject to various sources of high and low cycle fatigue generated by unsteady flow phenomena. Given the tremendous need for reliability in a sustainable space exploration program, a fundamental change in the design methodology for engine components is required for both launch and space based systems. A design optimization system based on neural-networks has been applied and demonstrated in the redesign of the Space Shuttle Main Engine (SSME) Low Pressure Oxidizer Turbo Pump (LPOTP) turbine nozzle. One objective of the redesign effort was to increase airfoil thickness and thus increase its strength while at the same time detuning the vane natural frequency modes from the vortex shedding frequency. The second objective was to reduce the vortex shedding amplitude. The third objective was to maintain this low shedding amplitude even in the presence of large manufacturing tolerances. All of these objectives were achieved without generating any detrimental effects on the downstream flow through the turbine, and without introducing any penalty in performance. The airfoil redesign and preliminary assessment was performed in the Exploration Technology Directorate at NASA ARC. Boeing/Rocketdyne and NASA MSFC independently performed final CFD assessments of the design. Four different CFD codes were used in this process. They include WIL DCA T/CORSAIR (NASA), FLUENT (commercial), TIDAL (Boeing Rocketdyne) and, a new family (AardvarWPhantom) of CFD analysis codes developed at NASA MSFC employing LOX fluid properties and a Generalized Equation Set formulation. Extensive aerodynamic performance analysis and stress analysis carried out at Boeing Rocketdyne and NASA MSFC indicate that the redesign objectives have been fully met. The paper presents the results of the assessment analysis and discusses the future potential of robust optimal design for rocket engine components.

Marcu, Bogdan↗
DOE OSTI2017

High Angular Momentum Halo Gas: A Feedback and Code-independent Prediction of LCDM

We investigate angular momentum acquisition in Milky Way-sized galaxies by comparing five high resolution zoom-in simulations, each implementing identical cosmological initial conditions but utilizing different hydrodynamic codes: Enzo, Art, Ramses, Arepo, and Gizmo-PSPH. Each code implements a distinct set of feedback and star formation prescriptions. We find that while many galaxy and halo properties vary between the different codes (and feedback prescriptions), there is qualitative agreement on the process of angular momentum acquisition in the galaxy’s halo. In all simulations, cold filamentary gas accretion to the halo results in ∼4 times more specific angular momentum in cold halo gas ( λ {sub cold} ≳ 0.1) than in the dark matter halo. At z > 1, this inflow takes the form of inspiraling cold streams that are co-directional in the halo of the galaxy and are fueled, aligned, and kinematically connected to filamentary gas infall along the cosmic web. Due to the qualitative agreement among disparate simulations, we conclude that the buildup of high angular momentum halo gas and the presence of these inspiraling cold streams are robust predictions of Lambda Cold Dark Matter galaxy formation, though the detailed morphology of these streams is significantly less certain. A growing body of observational evidence suggests that this process is borne out in the real universe.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Eigenstate thermalization hypothesis and approximate quantum error correction

The eigenstate thermalization hypothesis (ETH) is a powerful conjecture for understanding how statistical mechanics emerges in a large class of many-body quantum systems. It has also been interpreted in a CFT context, and, in particular, holographic CFTs are expected to satisfy ETH. Recently, it was observed that the ETH condition corresponds to a necessary and sufficient condition for an approximate quantum error correcting code (AQECC), implying the presence of AQECCs in systems satisfying ETH. In this paper, we explore the properties of ETH as an error correcting code and show that there exists an explicit universal recovery channel for the code. Based on the analysis, we discuss a generalization that all chaotic theories contain error correcting codes. We then specialize to AdS/CFT to demonstrate the possibility of total bulk reconstruction in black holes with a well-defined macroscopic geometry. When combined with the existing AdS/CFT error correction story, this shows that black holes are enormously robust against erasure errors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Direct Estimation of Parameters in ODE Models Using WENDy: Weak-Form Estimation of Nonlinear Dynamics

Abstract We introduce the Weak-form Estimation of Nonlinear Dynamics (WENDy) method for estimating model parameters for non-linear systems of ODEs. Without relying on any numerical differential equation solvers, WENDy computes accurate estimates and is robust to large (biologically relevant) levels of measurement noise. For low dimensional systems with modest amounts of data, WENDy is competitive with conventional forward solver-based nonlinear least squares methods in terms of speed and accuracy. For both higher dimensional systems and stiff systems, WENDy is typically both faster (often by orders of magnitude) and more accurate than forward solver-based approaches. The core mathematical idea involves an efficient conversion of the strong form representation of a model to its weak form, and then solving a regression problem to perform parameter inference. The core statistical idea rests on the Errors-In-Variables framework, which necessitates the use of the iteratively reweighted least squares algorithm. Further improvements are obtained by using orthonormal test functions, created from a set of $$C^{\infty }$$ C ∞ bump functions of varying support sizes.We demonstrate the high robustness and computational efficiency by applying WENDy to estimate parameters in some common models from population biology, neuroscience, and biochemistry, including logistic growth, Lotka-Volterra, FitzHugh-Nagumo, Hindmarsh-Rose, and a Protein Transduction Benchmark model. Software and code for reproducing the examples is available at https://github.com/MathBioCU/WENDy .

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Prospects for H-mode inhibition in negative triangularity tokamak reactor plasmas

Instability to high toroidal mode number ($\textit{n}$) ballooning modes has been proposed as the primary gradient-limiting mechanism for tokamak equilibria with negative triangularity (NT) (δ) shaping, preventing access to strong H-mode regimes when δ is sufficiently negative. To understand how this mechanism extrapolates to reactor conditions, we model the infinite-$\textit{n}$ ballooning stability as a function of internal profiles and equilibrium shape using a combination of the CHEASE and BALOO codes. While the critical δ required for avoiding 2nd stability to high-$\textit{n}$ modes is observed to depend in a complicated way on various shaping parameters, including the equilibrium inverse aspect ratio, elongation and squareness, equilibria with NT are robustly prohibited from accessing the 2nd stability region, offering the prediction that NT reactors should maintain L-mode-like operation. In order to access high-$\textit{n}$ 2nd stability, the local shear over the entire bad curvature region must be sufficiently negative to overcome curvature destabilization on the low field side. Finally, scalings of the ballooning-limited pedestal height are provided as a function of plasma parameters to aid future scenario design.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Hugoniot Models for Na and LiF from LEOS

In this document, we provide the Hugoniot for sodium from two models: LEOS table L110 and Lynx table 110. We also provide the Hugoniot for lithium fluoride from LEOS (L2240) and Lynx (2240). The Hugoniot pressures are supplied for temperatures between 338.0 and 1.16×10 9 Kelvin and densities between 0.968 and 11.5 g/cc. These LEOS models were developed by the quotidian EOS methodology, which is a widely used and robust method for producing tabular EOS data. Tables list the model data for LEOS 110, Lynx 110, LEOS 2240, and Lynx 2240. The Lynx models follow the same methodology as the LEOS models; however, the Purgatorio average-atom DFT code was used to compute the electron thermal part of the EOS. The models for Lynx are only listed at high compression due to known issues with the Lynx library at lower pressures.

36 MATERIALS SCIENCE↗