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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,675 records · Page 93

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NASA NTRS2024

Capsule_Grid User Guide

Software utility CAPSULE_GRID and several related procedures that automate grid generation for computational fluid dynamics calculations about axisymmetric atmospheric entry vehicles are described as a supplement to the documentation within the source codes. This application program and its ancillary software utilities are all in the public domain at the web site https://software.nasa.gov/software/category/all/arc/1/cfdtools with the exception of the 2D hyperbolic volume gridding step for which scripts driving either GRIDGEN1 or HYPGEN2 are available. CAPSULE_GRID was developed at NASA Ames Research Center in support of the DPLR3 real gas flow solver. Both forebodies (only) and full bodies are treated, for axisymmetric 2D flow calculations or for 3D calculations at angle of attack. The expected application is to the smooth outer mold line of a hypersonic atmospheric entry vehicle, for which a single layer of point-matched structured grid blocks normally suffices. Control files for a variety of representative cases are included with illustrations of results, and some insights into the subtleties of curvature-based grid point distribution are provided. Gridding of a capsule on a sting is supported. Additional procedures for treating arbitrarily long 2D wakes, prompted by asteroid studies and relevant to spacecraft such as Stardust, are also documented. Most recently, treating an asymmetric forebody (including an off-center nose, with or without an aft body) has been incorporated as an extra step.

spacecraft↗

DOE OSTI2018

Sparsity Facilitates Chemical-Reaction Selection for Engine Simulations

Analysis of large-scale, realistic models incorporating detailed chemistry can be challenging because each simulation is computationally expensive, and a complete analysis may require many simulations. This paper addresses one such problem of this type, chemical-reaction selection in engine simulations. In this computationally challenging case, it is demonstrated how the important concept of sparsity can facilitate chemical-reaction selection, which is the process of finding the most important chemical reactions for modeling a chemical process. It is difficult to perform accurate reaction selection for engine simulations using realistic models of the chemistry, as each simulation takes processor weeks to complete. We developed a procedure to efficiently accomplish this selection process with a relatively small number of simulations using a form of global sensitivity analysis based on sparse regression. The chemical-reaction selection leads to an analysis of the ignition chemistry as it evolves within the compression-ignition engine simulations and allows for the spatial development of the selected chemical reactions to be studied in detail.

Magnotti, Gina M.↗

DOE OSTI2016

Accurate and efficient calculation of excitation energies with the active-space particle-particle random phase approximation

An efficient method for calculating excitation energies based on the particle-particle random phase approximation (ppRPA) is presented. Neglecting the contributions from the high-lying virtual states and the low-lying core states leads to the significantly smaller active-space ppRPA matrix while keeping the error to within 0.05 eV from the corresponding full ppRPA excitation energies. The resulting computational cost is significantly reduced and becomes less than the construction of the non-local Fock exchange potential matrix in the self-consistent-field (SCF) procedure. With only a modest number of active orbitals, the original ppRPA singlet-triplet (ST) gaps as well as the low-lying single and double excitation energies can be accurately reproduced at much reduced computational costs, up to 100 times faster than the iterative Davidson diagonalization of the original full ppRPA matrix. For high-lying Rydberg excitations where the Davidson algorithm fails, the computational savings of active-space ppRPA with respect to the direct diagonalization is even more dramatic. The virtues of the underlying full ppRPA combined with the significantly lower computational cost of the active-space approach will significantly expand the applicability of the ppRPA method to calculate excitation energies at a cost of O(K^{4}), with a prefactor much smaller than a single SCF Hartree-Fock (HF)/hybrid functional calculation, thus opening up new possibilities for the quantum mechanical study of excited state electronic structure of large systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1982

Computer processed LANDSAT data

Background information and exercises are provided to: (1) establish or expand understanding of the concepts, methods, and terminology of computer processing of image producing data; (2) develop insight into the advantages of computer based image processing compared with the photointerpretation approach for processing, classifying, interpreting, and applying remote sensing data; (3) foster a broad perspective on the principal of the main techniques for image enhancement, pattern recognition, and thematic classification; (4) appreciate the pros and cons of batch and interactive modes of image analysis; (5) examine and evaluate some specific computer generated products for subscenes in Pennsylvania and New Jersey; and (6) interrelate these particular examples of output with more theoretical explanations of computer processing strategies and procedures.

Source record↗

NASA NTRS1993

Signal processing of jet noise from flyover test data

Narrow-band spectra characterizing jet noise are constructed from flyover acoustic measurements. Radar and c-band tracking systems provided the aircraft position histories which enabled directivity and smear angles from the aircraft to each microphone to be computed. These angles are based on source emission time and thus give some idea about the directivity of the radiated sound field due to jet noise. Simulated spectra are included in the paper to demonstrate spectral broadening due to smear angle. The acoustic data described in the study has application to community noise analysis, noise source characterization and validation of prediction models. Both broadband-shock noise and turbulent mixing noise are observed in the spectra. A detailed description of the signal processing procedures is provided.

Kelly, Jeffrey J.↗

NASA NTRS1993

Time-accurate Navier-Stokes calculations with multigrid acceleration

A numerical scheme to solve the unsteady Navier-Stokes equations is described. The scheme is implemented by modifying the multigrid-multiblock version of the steady Navier-Stokes equations solver, TLNS3D. The scheme is fully implicit in time and uses TLNS3D to iteratively invert the equations at each physical time step. The design objective of the scheme is unconditional stability (at least for first- and second-order discretizations of the physical time derivatives). With unconditional stability, the choice of the time step is based on the physical phenomena to be resolved rather than limited by numerical stability which is especially important for high Reynolds number viscous flows, where the spatial variation of grid cell size can be as much as six orders of magnitude. An analysis of the iterative procedure and the implementation of this procedure in TLNS3D are discussed. Numerical results are presented to show both the capabilities of the scheme and its speed up relative to the use of global minimum time stepping. Reductions in computational times of an order of magnitude are demonstrated.

Melson, N. Duane↗

NASA NTRS1993

Evaluation of computer-aided instruction techniques for the crew interface coordination position

The Crew Interface Coordinator (CIC) is responsible for real-time voice and procedural communication between the payload crew on the orbiter and the payload operations team on the ground. This function is dedicated to science activities and operations, and may also include some responsibilities for crew training. CIC training at Marshall Space Flight Center (MSFC) consists of mission-independent training, mission simulations, and line-organization training. As identified by Schneider, the program provides very good generic training; however position-specific training may be obtained in a very unstructured way. A computer-based training system, identified as Mac CIC, is currently under development to address this issue. Mac CIC is intended to provide an intermediate level of training in order to prepare the CIC for the more intensive mission simulations. Although originally intended as an intelligent tutoring system, Mac CIC currently exists as a hypertext-based application. The objectives of this research is to evaluate the current system and to provide both recommendations and a detailed plan for Mac CIC's evolution into an intelligent tutoring system.

Moynihan, Gary P.↗

NASA NTRS1995

Numerical Methodology For Full-Body TPS Sizing And Optimization For Access-To-Space Vehicles

This paper presents details of the methodology and numerical procedures developed at NASA Ames for full-body TEXAS sizing and optimization for Access to Space vehicle concepts. The core of the procedures is a robust implicit solver for one dimensional transient heat conduction in reusable multilayer TEXAS stackups. The solver includes an arbitrary number of material layers, contact resistances between materials, temperature and pressure dependent material and surface properties, numerous boundary-condition options, and self-adaptive time stepping. The solver is coupled with the Access-to-Space material database of 23 candidate TPS and structural materials and a thermal-environment database obtained from trajectory-based fullbody Navier-Stokes computations of the external flowfield. The thermal environment and material response are coupled through the use of T-type heat transfer coefficients. TIPS sizing and weight optimization are performed at every surface point on the vehicle based on sizing constraints which include material temperature limits, maximum backwall temperature, and cumulative interior heat flux. Typical results are presented for a lifting body concept with 10000 surface points, which required 35 minutes to compute on an SGI Indigo 2.

Milos, Frank S.↗

NASA NTRS1997

Discretization and Preconditioning Algorithms for the Euler and Navier-Stokes Equations on Unstructured Meshes

Several stabilized discretization procedures for conservation law equations on triangulated domains will be considered. Specifically, numerical schemes based on upwind finite volume, fluctuation splitting, Galerkin least-squares, and space discontinuous Galerkin discretization will be considered in detail. A standard energy analysis for several of these methods will be given via entropy symmetrization. Next, we will present some relatively new theoretical results concerning congruence relationships for left or right symmetrized equations. These results suggest new variants of existing FV, DG, GLS and FS methods which are computationally more efficient while retaining the pleasant theoretical properties achieved by entropy symmetrization. In addition, the task of Jacobian linearization of these schemes for use in Newton's method is greatly simplified owing to exploitation of exact symmetries which exist in the system. These variants have been implemented in the "ELF" library for which example calculations will be shown. The FV, FS and DG schemes also permit discrete maximum principle analysis and enforcement which greatly adds to the robustness of the methods. Some prevalent limiting strategies will be reviewed. Next, we consider embedding these nonlinear space discretizations into exact and inexact Newton solvers which are preconditioned using a nonoverlapping (Schur complement) domain decomposition technique. Elements of nonoverlapping domain decomposition for elliptic problems will be reviewed followed by the present extension to hyperbolic and elliptic-hyperbolic problems. Other issues of practical relevance such the meshing of geometries, code implementation, turbulence modeling, global convergence, etc. will be addressed as needed.

Barth, Timothy↗

NASA NTRS1998

Discretization and Preconditioning Algorithms for the Euler and Navier-Stokes Equations on Unstructured Meshes

Several stabilized demoralization procedures for conservation law equations on triangulated domains will be considered. Specifically, numerical schemes based on upwind finite volume, fluctuation splitting, Galerkin least-squares, and space discontinuous Galerkin demoralization will be considered in detail. A standard energy analysis for several of these methods will be given via entropy symmetrization. Next, we will present some relatively new theoretical results concerning congruence relationships for left or right symmetrized equations. These results suggest new variants of existing FV, DG, GLS, and FS methods which are computationally more efficient while retaining the pleasant theoretical properties achieved by entropy symmetrization. In addition, the task of Jacobean linearization of these schemes for use in Newton's method is greatly simplified owing to exploitation of exact symmetries which exist in the system. The FV, FS and DG schemes also permit discrete maximum principle analysis and enforcement which greatly adds to the robustness of the methods. Discrete maximum principle theory will be presented for general finite volume approximations on unstructured meshes. Next, we consider embedding these nonlinear space discretizations into exact and inexact Newton solvers which are preconditioned using a nonoverlapping (Schur complement) domain decomposition technique. Elements of nonoverlapping domain decomposition for elliptic problems will be reviewed followed by the present extension to hyperbolic and elliptic-hyperbolic problems. Other issues of practical relevance such the meshing of geometries, code implementation, turbulence modeling, global convergence, etc, will. be addressed as needed.

Barth, Timothy J.↗

NASA NTRS1998

Numerical Differentiation for Adaptively Refined Finite Element Meshes

Postprocessing of point-wise data is a fundamental process in many fields of research. Numerical differentiation is a key operation in computational electromagnetics. In the case of data obtained from a finite element method with automatic mesh refinement much work needs still to be done. This paper addresses some issues in differentiating data obtained from a finite element electromagnetic code with adaptive mesh refinement, and it proposes a methodology for deriving the electric field given the magnetic field on a mesh of linear triangular elements. The procedure itself is nevertheless more general and might be extended for numerically differentiating any point-wise solution based on triangular meshes.

Borgioli, Andrea↗

NASA NTRS2016

Analysis and Characterization of Damage Utilizing an Orthotropic Generalized Composite Material Model Suitable for Use in Impact Problems

The need for accurate material models to simulate the deformation, damage and failure of polymer matrix composites under impact conditions is becoming critical as these materials are gaining increased usage in the aerospace and automotive communities. In order to address a series of issues identified by the aerospace community as being desirable to include in a next generation composite impact model, an orthotropic, macroscopic constitutive model incorporating both plasticity and damage suitable for implementation within the commercial LS-DYNA computer code is being developed. The plasticity model is based on extending the Tsai-Wu composite failure model into a strain hardening-based orthotropic plasticity model with a non-associative flow rule. The evolution of the yield surface is determined based on tabulated stress-strain curves in the various normal and shear directions and is tracked using the effective plastic strain. To compute the evolution of damage, a strain equivalent semi-coupled formulation is used in which a load in one direction results in a stiffness reduction in multiple material coordinate directions. A detailed analysis is carried out to ensure that the strain equivalence assumption is appropriate for the derived plasticity and damage formulations that are employed in the current model. Procedures to develop the appropriate input curves for the damage model are presented and the process required to develop an appropriate characterization test matrix is discussed.

Impact↗

NASA NTRS2016

Analysis and Characterization of Damage Utilizing an Orthotropic Generalized Composite Material Model Suitable for Use in Impact Problems

Impact↗

NASA NTRSDate not supplied

Aerodynamic Design Optimization for Natural Laminar Flow Airfoils

Natural laminar flow technology is a passive laminar flow control (LFC) strategy that seeks to delay the onset of boundary-layer transition (BLT) through shape optimization to reduce the drag of the aerodynamic vehicle. Adjoint-based design optimization for LFC is proposed in an integrated multidisciplinary framework, which includes the computational fluid dynamics (CFD), geometry and grid deformation, and linear stability analysis (LSA) for transition prediction. In particular, the BLT location is predicted using the dual N-factor method that is based on a linear stability theory (LST) eigenvalue problem. The dual N-factor criterion accounts for the amplification of planar Tollmien-Schlichting (TS) and stationary crossflow (CF) boundary-layer instabilities to predict the transition location in three-dimensional boundary-layer flows. The adjoint-based shape optimization procedure is based on an iteratively coupled CFD and LSA methodology to converge the transition location and flow solutions, as well as to calculate the sensitivities of the aerodynamic metrics of interest with respect to the flow and shape design parameters. The RAE 2822 airfoil at 0 and 30 degrees yaw angles, an angle of attack of 0.72 degrees, and subsonic conditions (M∞ = 0.19, Rec = 5.6 × 106 ) are used as baseline configurations for design optimization. The angle of attack and the vertical displacement of free-form-deformation control points are used as design variables to reduce the drag coefficient while reaching a specified lift coefficient. The optimized unswept airfoil designs achieve a 30% drag reduction accompanied by a downstream shift of the transition locations over both suction and pressure sides of the airfoil. The initial design iterations for the swept case also show a favorable trend in the drag reduction with transition delay over both sides.

Transition↗

DOE OSTI2022

Constraining the particle-scale diversity of black carbon light absorption using a unified framework

Abstract. Atmospheric black carbon (BC), the strongest absorber of visible solar radiation in the atmosphere, manifests across a wide spectrum of morphologies and compositional heterogeneity. Phenomenologically, the distribution of BC among diverse particles of varied composition gives rise to enhancement of its light absorption capabilities by over twofold in comparison to that of nascent or unmixed homogeneous BC. This situation has challenged the modeling community to consider the full complexity and diversity of BC on a per-particle basis for accurate estimation of its light absorption. The conventionally adopted core–shell approximation, although computationally inexpensive, is inadequate not only in estimating but also capturing absorption trends for ambient BC. Here we develop a unified framework that encompasses the complex diversity in BC morphology and composition using a single metric, the phase shift parameter (ρBC), which quantifies how much phase shift the incoming light waves encounter across a particle compared to that in its absence. We systematically investigate variations in ρBC across the multi-space distribution of BC morphology, mixing state, mass, and composition as reported by field and laboratory observations. We find that ρBC>1 leads to decreased absorption by BC, which explains the weaker absorption enhancements observed in certain regional BC compared to laboratory results of similar mixing state. We formulate universal scaling laws centered on ρBC and provide physics-based insights regarding core–shell approximation overestimating BC light absorption. We conclude by packaging our framework in an open-source Python application to facilitate community-level use in future BC-related research. The package has two main functionalities. The first functionality is for forward problems, wherein experimentally measured BC mixing state and assumed BC morphology are input, and the aerosol absorption properties are output. The second functionality is for inverse problems, wherein experimentally measured BC mixing state and absorption are input, and the morphology of BC is returned. Further, if absorption is measured at multiple wavelengths, the package facilitates the estimation of the imaginary refractive index of coating materials by combining the forward and inverse procedures. Our framework thus provides a computationally inexpensive source for calculation of absorption by BC and can be used to constrain light absorption throughout the atmospheric lifetime of BC.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1990

Computation of maximum gust loads in nonlinear aircraft using a new method based on the matched filter approach and numerical optimization

Time-correlated gust loads are time histories of two or more load quantities due to the same disturbance time history. Time correlation provides knowledge of the value (magnitude and sign) of one load when another is maximum. At least two analysis methods have been identified that are capable of computing maximized time-correlated gust loads for linear aircraft. Both methods solve for the unit-energy gust profile (gust velocity as a function of time) that produces the maximum load at a given location on a linear airplane. Time-correlated gust loads are obtained by re-applying this gust profile to the airplane and computing multiple simultaneous load responses. Such time histories are physically realizable and may be applied to aircraft structures. Within the past several years there has been much interest in obtaining a practical analysis method which is capable of solving the analogous problem for nonlinear aircraft. Such an analysis method has been the focus of an international committee of gust loads specialists formed by the U.S. Federal Aviation Administration and was the topic of a panel discussion at the Gust and Buffet Loads session at the 1989 SDM Conference in Mobile, Alabama. The kinds of nonlinearities common on modern transport aircraft are indicated. The Statical Discrete Gust method is capable of being, but so far has not been, applied to nonlinear aircraft. To make the method practical for nonlinear applications, a search procedure is essential. Another method is based on Matched Filter Theory and, in its current form, is applicable to linear systems only. The purpose here is to present the status of an attempt to extend the matched filter approach to nonlinear systems. The extension uses Matched Filter Theory as a starting point and then employs a constrained optimization algorithm to attack the nonlinear problem.

Pototzky, Anthony S.↗

DOE OSTI2018

Phase Transitions and a Model Order Selection Criterion for Spectral Graph Clustering

One of the longstanding open problems in spectral graph clustering (SGC) is the so-called model order selection problem: automated selection of the correct number of clusters. This is equivalent to the problem of finding the number of connected components or communities in an undirected graph. Here, we propose automated model order selection (AMOS), a solution to the SGC model selection problem under a random interconnection model (RIM) using a novel selection criterion that is based on an asymptotic phase transition analysis. AMOS can more generally be applied to discovering hidden block diagonal structure in symmetric non-negative matrices. Numerical experiments on simulated graphs validate the phase transition analysis, and real-world network data is used to validate the performance of the proposed model selection procedure.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

AbBERT: Learning Antibody Humanness via Masked Language Modeling

Understanding the degree of humanness of antibody sequences is critical to the therapeutic antibody development process to reduce the risk of failure modes like immunogenicity or poor manufacturability. We introduce AbBERT, a transformer-based language model trained on up to 20 million unpaired heavy/light chain sequences from the Observed Antibody Space database. We first validate AbBERT using a novel “multi-mask” scoring procedure to demonstrate high accuracy in predicting complementary determining regions—including the challenging hypervariable H3 region. We then demonstrate several uses of AbBERT at various points along the antibody design process. AbBERT enhances in silico antibody optimization via deep reinforcement learning by utilizing its learned embeddings as additional observations during optimization. Within a larger computational antibody design platform, AbBERT has been successfully applied as an additional design objective, where it displays strong correlations with computational tools predicting antibody structural stability. Finally, mutant antibody sequences that have been scored as unfavorable by AbBERT have shown corresponding low yields when expressed in cells. These use cases demonstrate the power of language modeling within computational antibody design.

Bioinformatics↗