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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 541 records · Page 30

Detecting shearless phase-space transport barriers in global gyrokinetic turbulence simulations with test particle map models

In magnetically confined fusion plasmas, the role played by zonal 𝐸 x 𝐵 flow shear layers in the suppression of turbulent transport is relatively well understood. However, less is understood about the role played by the weak shear regions that arise in the non-monotonic radial electric field profiles often associated with these shear layers. In electrostatic simulations from the global total-𝑓 gyrokinetic particle-in-cell code XGC, we demonstrate how shearless regions with non-zero flow curvature form zonal ‘jets’ that, in conjunction with neighbouring regions of shear, can act as robust barriers to particle transport and turbulence spreading. By isolating quasi-coherent fluctuations radially localised to the zonal jets, we construct a map model for the Lagrangian dynamics of gyrokinetic test particles in the presence of drift waves. We identify the presence of shearless invariant tori in this model and verify that these tori act as partial phase-space transport barriers in the simulations. We also demonstrate how avalanches impinging on these shearless tori cause eddy detachment events that form ‘cold/warm core ring’ structures analogous to those found in oceanic jets, facilitating transport across the barriers without destroying them completely. We discuss how shearless tori may generically arise from tertiary instabilities or other types of discrete eigenmodes, suggesting their potential relevance to broader classes of turbulent fluctuations.

fusion plasma↗

Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states

We report a new implementation of the density functional embedding theory (DFET) in the VASP code, using the projector-augmented-wave (PAW) formalism. Newly developed algorithms allow us to efficiently perform optimized effective potential optimizations within PAW. The new algorithm generates robust and physically correct embedding potentials, as we verified using several test systems including a covalently bound molecule, a metal surface, and bulk semiconductors. We show that with the resulting embedding potential, embedded cluster models can reproduce the electronic structure of point defects in bulk semiconductors, thereby demonstrating the validity of DFET in semiconductors for the first time. Compared to our previous version, the new implementation of DFET within VASP affords use of all features of VASP (e.g., a systematic PAW library, a wide selection of functionals, a more flexible choice of U correction formalisms, and faster computational speed) with DFET. Furthermore, our results are fairly robust with respect to both plane-wave and Gaussian type orbital basis sets in the embedded cluster calculations. This suggests that the density functional embedding method is potentially an accurate and efficient way to study properties of isolated defects in semiconductors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Empirically Driven multiwavelength K-c orrections at low redshift

K -corrections – a necessary ingredient for converting between flux in observed bands to flux in rest-frame bands – are critical for comparing galaxies at differing redshifts. These corrections often rely on fits to empirical or theoretical spectral energy distribution (SED) templates of galaxies. However, templates can only produce reliable K-corrections in regimes where SED models are robust. For instance, the templates utilized in some popular software packages are not well-constrained in some bands (e.g. WISE W4 in KCORRECT ), which results in ill-behaved K -corrections. We address this shortcoming by developing an empirically driven approach to K -corrections that limits the dependence on SED templates. We perform a polynomial fit for the K -correction as a function of a galaxy’s rest-frame colour determined in a pair of well-constrained bands (e.g. 0 (g − r)) and redshift, exploiting the fact that galaxy SEDs can be approximated as a one-parameter family at low redshift. For bands well-constrained by SED templates, our empirically driven K -corrections yield results comparable to the SED fitting methods used by KCORRECT and the GSWLC-M2 catalogue (the updated medium-deep GALEX–SDSS–WISE Legacy Catalogue). However, our method dramatically outperforms Kcorrect derived K -corrections for WISE W4 . Our method is also robust to incorrect template assumptions outside of the optical bands and enforces that the K -correction must be zero at z = 0. Our K -corrected photometry and code are publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

Construction of bias-preserving operations for pair-cat codes

Fault-tolerant quantum computation with depolarization error often requires demanding error threshold and resource overhead. If the operations can maintain high noise bias—dominated by dephasing error with small bit-flip error—we can achieve hardware-efficient fault-tolerant quantum computation with a more favorable error threshold. Distinct from two-level physical systems, multilevel systems (such as harmonic oscillators) can achieve a desirable set of bias-preserving quantum operations while using continuous engineered dissipation or Hamiltonian protection to stabilize to the encoding subspace. For example, cat codes stabilized with driven-dissipation or Kerr nonlinearity can possess a set of bias-preserving gates while continuously correcting bosonic dephasing error. However, cat codes are not compatible with continuous quantum error correction against excitation loss error, because it is challenging to continuously monitor the parity to correct photon loss errors. In this work, we generalize the bias-preserving operations to pair-cat codes, which can be regarded as a multimode generalization of cat codes, to be compatible with continuous quantum error correction against both bosonic loss and dephasing errors. In conclusion, our results open the door towards hardware-efficient robust quantum information processing with both bias-preserving operations and continuous quantum error correction simultaneously correcting bosonic loss and dephasing errors.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ForTrilinos v 10.1

ForTrilinos stands for interfaces to Trilinos. It effectively replaces common practices for interfacing Fortran codes with Trilinos C++ packages. Common practices include writing user-specific drivers and exploiting the name-mangling schemes of specific compilers. ForTrilinos improves portability and robustness by exploiting the C interoperability constructs of Fortran 2003. These constructs facilitate binding Fortran interface bodies to their equivalent C function prototypes, providing for name resolution independent of the compiler™s underlying mangling scheme and guaranteeing compatible type bit representations. Furthermore, ForTrilinos maintains the overall design philosophy and architecture of Trilinos by creating a derived type structure in Fortran similar to the class hierarchy in the underlying C++.ForTrilinos can be applied wherever the underlying Trilinos packages can be applied.

SciDAC↗

HPC4Mfg with Carbon Inc.

Continuous Liquid Interface Production (CLIP) is poised to bring additive manufacturing to multiple American manufacturing sectors owing to its unique combination of rapid print speeds and material options that resemble injection molding thermoplastics. In spite of these benefits, CLIP is still a maturing process. To improve our understanding and control of the process, this project developed a multi-physics computational model that encompasses the coupled chemical-physical processes of photopolymerization and fluid flow to predict part outcomes. A physically predictive model can enable rapid optimization of CLIP and reduce the current cycle time and waste associated with optimization by four-fold. Ultimately, this effort will help open the U.S. $400B plastic manufacturing industry to the key benefits of additive manufacturing, namely mass customization, unlimited design space, and a cost- and energy-effective path to mainstream manufacturing. In the course of the project we produced a model which coupled fluid-flow, species transport, and photochemistry to model the Carbon CLIP process. As the development proceeded, we validated the code against theory and experiments. The resulting code was transferred to Carbon, and we expect it to be a useful part of their modeling capability. Future work includes improvements to the fluid solver’s robustness and performance, along with the addition of additional physics models.

42 ENGINEERING↗

Development of a Multi-physics Model to Optimize Continuous Liquid Interface Production (CLIP) for Additive Manufacturing (Carbon3D HPC4Mfg Final Report)

Continuous Liquid Interface Production (CLIP) is poised to bring additive manufacturing to multiple American manufacturing sectors owing to its unique combination of rapid print speeds and material options that resemble injection molding thermoplastics. In spite of these benefits, CLIP is still a maturing process. To improve our understanding and control of the process, this project developed a multi-physics computational model that encompasses the coupled chemical-physical processes of photopolymerization and fluid flow to predict part outcomes. A physically predictive model can enable rapid optimization of CLIP and reduce the current cycle time and waste associated with optimization by four-fold. Ultimately, this effort will help open the U.S. $400B plastic manufacturing industry to the key benefits of additive manufacturing, namely mass customization, unlimited design space, and a cost- and energy-effective path to mainstream manufacturing. In the course of the project we produced a model which coupled fluid-flow, species transport, and photochemistry to model the Carbon CLIP process. As the development proceeded, we validated the code against theory and experiments. The resulting code was transferred to Carbon, and we expect it to be a useful part of their modeling capability. Future work includes improvements to the fluid solver’s robustness and performance, along with the addition of additional physics models.

36 MATERIALS SCIENCE↗

The Progenitors of Superluminous Type Ia Supernovae

Abstract Recent observations of type Ia supernovae (SNe Ia) have discovered a subclass of “super-Chandrasekhar” SNe Ia (SC SNe Ia) whose high luminosities and low ejecta velocities suggest that they originate from the explosions of white dwarfs (WDs) with masses that exceed the Chandrasekhar mass limit. Different models have been proposed to explain the progenitors of these explosions, including a “magnetized WD” model and a “WD merger” model. To test the robustness of these models, we conduct a 1D numerical parameter survey of WD explosions using these models as initial conditions. We follow the explosions using the hydrodynamics code Castro and then use the radiation transport code SuperNu to create light curves and spectra for the models. We find that while both classes of models fall within the range of SC SNe Ia observations on the light-curve width–luminosity relation, only the WD merger models reproduce the observed low ejecta velocities. The light curves of our merger models are more similar photometrically to observations than our magnetized models. Given this, we discuss possible explanations for the brightest SC SNe Ia observations that cannot be reproduced with our WD merger models. This study provides the basis for future SC SNe Ia observations and higher-dimensional numerical models.

79 ASTRONOMY AND ASTROPHYSICS↗

Cascade Optimization Strategy for Aircraft and Air-Breathing Propulsion System Concepts

Design optimization for subsonic and supersonic aircraft and for air-breathing propulsion engine concepts has been accomplished by soft-coupling the Flight Optimization System (FLOPS) and the NASA Engine Performance Program analyzer (NEPP), to the NASA Lewis multidisciplinary optimization tool COMETBOARDS. Aircraft and engine design problems, with their associated constraints and design variables, were cast as nonlinear optimization problems with aircraft weight and engine thrust as the respective merit functions. Because of the diversity of constraint types and the overall distortion of the design space, the most reliable single optimization algorithm available in COMETBOARDS could not produce a satisfactory feasible optimum solution. Some of COMETBOARDS' unique features, which include a cascade strategy, variable and constraint formulations, and scaling devised especially for difficult multidisciplinary applications, successfully optimized the performance of both aircraft and engines. The cascade method has two principal steps: In the first, the solution initiates from a user-specified design and optimizer, in the second, the optimum design obtained in the first step with some random perturbation is used to begin the next specified optimizer. The second step is repeated for a specified sequence of optimizers or until a successful solution of the problem is achieved. A successful solution should satisfy the specified convergence criteria and have several active constraints but no violated constraints. The cascade strategy available in the combined COMETBOARDS, FLOPS, and NEPP design tool converges to the same global optimum solution even when it starts from different design points. This reliable and robust design tool eliminates manual intervention in the design of aircraft and of air-breathing propulsion engines where it eases the cycle analysis procedures. The combined code is also much easier to use, which is an added benefit. This paper describes COMETBOARDS and its cascade strategy and illustrates the capability of the combined design tool through the optimization of a subsonic aircraft and a high-bypass-turbofan wave-rotor-topped engine.

Patnaik, Surya N.↗

Collaborative Software Development in Support of Fast Adaptive AeroSpace Tools (FAAST)

A collaborative software development approach is described. The software product is an adaptation of proven computational capabilities combined with new capabilities to form the Agency's next generation aerothermodynamic and aerodynamic analysis and design tools. To efficiently produce a cohesive, robust, and extensible software suite, the approach uses agile software development techniques; specifically, project retrospectives, the Scrum status meeting format, and a subset of Extreme Programming's coding practices are employed. Examples are provided which demonstrate the substantial benefits derived from employing these practices. Also included is a discussion of issues encountered when porting legacy Fortran 77 code to Fortran 95 and a Fortran 95 coding standard.

Kleb, William L.↗

Transport Equation Based Wall Distance Computations Aimed at Flows With Time-Dependent Geometry

Eikonal, Hamilton-Jacobi and Poisson equations can be used for economical nearest wall distance computation and modification. Economical computations may be especially useful for aeroelastic and adaptive grid problems for which the grid deforms, and the nearest wall distance needs to be repeatedly computed. Modifications are directed at remedying turbulence model defects. For complex grid structures, implementation of the Eikonal and Hamilton-Jacobi approaches is not straightforward. This prohibits their use in industrial CFD solvers. However, both the Eikonal and Hamilton-Jacobi equations can be written in advection and advection-diffusion forms, respectively. These, like the Poisson s Laplacian, are commonly occurring industrial CFD solver elements. Use of the NASA CFL3D code to solve the Eikonal and Hamilton-Jacobi equations in advective-based forms is explored. The advection-based distance equations are found to have robust convergence. Geometries studied include single and two element airfoils, wing body and double delta configurations along with a complex electronics system. It is shown that for Eikonal accuracy, upwind metric differences are required. The Poisson approach is found effective and, since it does not require offset metric evaluations, easiest to implement. The sensitivity of flow solutions to wall distance assumptions is explored. Generally, results are not greatly affected by wall distance traits.

Tucker, Paul G.↗

Transport Equation Based Wall Distance Computations Aimed at Flows With Time-Dependent Geometry

Eikonal, Hamilton-Jacobi and Poisson equations can be used for economical nearest wall distance computation and modification. Economical computations may be especially useful for aeroelastic and adaptive grid problems for which the grid deforms, and the nearest wall distance needs to be repeatedly computed. Modifications are directed at remedying turbulence model defects. For complex grid structures, implementation of the Eikonal and Hamilton-Jacobi approaches is not straightforward. This prohibits their use in industrial CFD solvers. However, both the Eikonal and Hamilton-Jacobi equations can be written in advection and advection-diffusion forms, respectively. These, like the Poisson's Laplacian, are commonly occurring industrial CFD solver elements. Use of the NASA CFL3D code to solve the Eikonal and Hamilton-Jacobi equations in advective-based forms is explored. The advection-based distance equations are found to have robust convergence. Geometries studied include single and two element airfoils, wing body and double delta configurations along with a complex electronics system. It is shown that for Eikonal accuracy, upwind metric differences are required. The Poisson approach is found effective and, since it does not require offset metric evaluations, easiest to implement. The sensitivity of flow solutions to wall distance assumptions is explored. Generally, results are not greatly affected by wall distance traits.

Tucker, Paul G.↗

Standardized Action Modules for Humanoid Robot Control

Humanoid robots could reduce the risks of hazardous work by replacing humans in dangerous environments and they could be useful helpers in environments designed primarily for humans. Currently, no robot is capable enough to fulfill either of these roles for any practical application, and the Humanoid Project at the Jet Propulsion Laboratory's Bio-Inspired Technologies and Systems group is striving to change that. For this summer, our goal was to endow a Fujitsu HOAP 2 humanoid robot with the necessary intelligence and knowledge to autonomously assemble a cubical frame structure from tubular bars and corner joints. Performing such a complicated task requires that the robot have a robust control architecture that allows for a multitude of abilities and Operation modes. We have designed and implemented a modular control architecture that allows reusability of existing code and the integration of work by many team members into the larger control system while providing an easy way to implement later improvements. Such a control system has allowed us to achieve important milestones in the humanoid robot assembly task.

Csaszar, Ambrus↗

The CEOS Data Cube Portal: A User-Friendly, Open Source Software Solution for the Distribution, Exploration, Analysis, and Visualization of Analysis Ready Data

There is an urgent need to increase the capacity of developing countries to take part in the study and monitoring of their environments through remote sensing and space-based Earth observation technologies. The Open Data Cube (ODC) provides a mechanism for efficient storage and a powerful framework for processing and analyzing satellite data. While this is ideal for scientific research, the expansive feature space can also be daunting for end-users and decision-makers who simply require a solution which provides easy exploration, analysis, and visualization of Analysis Ready Data (ARD). Utilizing innovative web-design and a modular architecture, the Committee on Earth Observation Satellites (CEOS) has created a web-based user interface (UI) which harnesses the power of the ODC yet provides a simple and familiar user experience: the CEOS Data Cube (CDC). This paper presents an overview of the CDC architecture and the salient features of the UI. In order to provide adaptability, flexibility, scalability, and robustness, we leverage widely-adopted and well-supported technologies such as the Django web framework and the AWS Cloud platform. The fully-customizable source code of the UI is available at our public repository. Interested parties can download the source and build their own UIs. The UI empowers users by providing features that assist with streamlining data preparation, data processing, data visualization, and sub-setting ARD products in order to achieve a wide variety of Earth imaging objectives through an easy to use web interface.

User Interface↗

Verification and Validation of Elastodynamic Simulation Software for Aerospace Research

Physics-based simulation of nondestructive evaluation (NDE) inspection can help to advance the inspectability and reliability of mechanical systems. However, NDE simulations applicable to non-idealized mechanical components often require large compute domains and long run times. This has prompted development of custom NDE simulation software tailored to high performance computing (HPC) hardware. Verification and validation (V&V) is an integral part of developing this software to ensure implementations are robust and applicable to inspection problems, producing tools and simulations suitable for computational NDE research. This presentation addresses factors common to V&V of several elastodynamic simulation codes applicable to ultrasonic NDE. Examples are drawn from in-house simulation software at NASA Langley Research Center, ranging from ensuring reliability in a 1D heterogeneous media wave equation solver to the V&V needs of 3D cluster-parallel elastodynamic software. Factors specific to a research environment are addressed, where individual simulation results can be as relevant as the software product itself. Distinct facets of V&V are discussed including testing to establish software reliability, employing systematic approaches for consistency with fundamental conservation laws, establishing the numerical stability of algorithms, and demonstrating concurrence with empirical data. This talk also addresses V&V practices for small groups of researchers. This includes establishing resources (e.g. time and personnel) for V&V during project planning to mitigate and control the risk of setbacks. Similarly, we identify ways for individual researchers to use V&V during simulation software development itself to both speed up the development process and reduce incurred technical debt.

NDE↗

Software-defined network abstractions and configuration interfaces for building programmable quantum networks

Well-defined and stable quantum networks are essential to realize functional quantum applications. Quantum networks are complex and must use both quantum and classical channels to support quantum applications like QKD, teleportation, and superdense coding. In particular, the no-cloning theorem prevents the reliable copying of quantum signals such that the quantum and classical channels must be highly coordinated using robust and extensible methods. We develop new network abstractions and interfaces for building programmable quantum networks. Our approach leverages new OpenFlow data structures and table type patterns to build programmable quantum networks and to support quantum applications.

quantum communiction↗

Efficient and Robust Weighted Least-Squares Cell-Average Gradient Construction Methods for the Simulation of Scramjet Flows

The ability to solve the equations governing the hypersonic turbulent flow of a real gas on unstructured grids using a spatially-elliptic, 2nd-order accurate, cell-centered, finite-volume method has been recently implemented in the VULCAN-CFD code. The construction of cell-average gradients using a weighted linear least-squares method and the use of these gradients in the construction of the inviscid fluxes is the focus of this paper. A comparison of least-squares stencil construction methodologies is presented and approaches designed to minimize the number of cells used to augment/stabilize the least-squares stencil while preserving accuracy are explored. Due to our interest in hypersonic flow, a robust multidimensional cell-average gradient limiter procedure that is consistent with the stencil used to construct the cellaverage gradients is described. Canonical problems are computed to illustrate the challenges and investigate the accuracy, robustness and convergence behavior of the cell-average gradient methods on unstructured cell-centered finite-volume grids. Finally, thermally perfect, chemically frozen, Mach 7.8 turbulent flow of air through a scramjet engine flowpath is computed and compared with experimental data to demonstrate the robustness, accuracy and convergence behavior of the preferred gradient method for a realistic 3-D geometry on a non-hex-dominant grid.

White, Jeffery A.↗

Verification methods for drift–diffusion reaction models for plasma simulations

Abstract Compared to other computational physics areas such as codes for general computational fluid dynamics, the documentation of verification methods for plasma fluid codes remains under developed. Current analytical solutions for plasma are often highly limited in terms of testing highly coupled physics, due to the harsh assumptions needed to derive even simple plasma equations. This work highlights these limitations, suggesting the method of manufactured solutions (MMSs) as a potential option for future verification efforts. To demonstrate the flexibility of MMS in verifying these highly coupled systems, the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework was utilized. Thanks to the MOOSE framework’s robustness and modularity, as well as to its physics module capabilities and ecosystem applications (i.e. Zapdos and the chemical reaction network) developed for plasma physics modeling and simulation, this report lays the groundwork for a structured method of conducting plasma fluid code verification.

DeChant, Corey (ORCID:0000000293779732)↗