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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Real parameter margin computation for uncertain structural dynamic systems

This paper is concerned with the problem of computing real parameter margins for stabilized, structural dynamic systems with the masses, spring constants, and damping constants as uncertain parameters. Numerical algorithms for uncertain systems with multilinear parameters are investigated. It is shown that for a certain class of structural dynamic systems with small passive damping (e.g., flexible structures in space), the computational complexity of the problem can be avoided by modeling the system as a conservative plant, without loss of any practical significance.

Wie, Bong↗
NASA NTRS2003

On-Orbit Performance Degradation of the International Space Station P6 Photovoltaic Arrays

This paper discusses the on-orbit performance and performance degradation of the International Space Station P6 solar array wings (SAWs) from the period of December 2000 through February 2003. Data selection considerations and data reduction methods are reviewed along with the approach for calculating array performance degradation based on measured string shunt current levels. Measured degradation rates are compared with those predicted by the computational tool SPACE and prior degradation rates measured with the same SAW technology on the Mir space station. Initial results show that the measured SAW short-circuit current is degrading 0.2 to 0.5 percent per year. This degradation rate is below the predicted rate of 0.8 percent per year and is well within the 3 percent estimated uncertainty in measured SAW current levels. General contributors to SAW degradation are briefly discussed.

Kerslake, Thomas W.↗
NASA NTRS1989

Computational fluid dynamics analysis of space shuttle main propulsion feed line 17-inch disconnect valves

A steady incompressible three-dimensional (3-D) viscous flow analysis was conducted for the Space Shuttle Main Propulsion External Tank (ET)/Orbiter (ORB) propellant feed line quick separable 17-inch disconnect flapper valves for liquid oxygen (LO2) and liquid hydrogen (LH2). The main objectives of the analysis were to predict and correlate the hydrodynamic stability of the flappers and pressure drop with available water test data. Computational Fluid Dynamics (CFD) computer codes were procured at no cost from the public domain, and were modified and extended to carry out the disconnect flow analysis. The grid generator codes SVTGD3D and INGRID were obtained. NASA Ames Research Center supplied the flow solution code INS3D, and the color graphics code PLOT3D. A driver routine was developed to automate the grid generation process. Components such as pipes, elbows, and flappers can be generated with simple commands, and flapper angles can be varied easily. The flow solver INS3D code was modified to treat interior flappers, and other interfacing routines were developed, which include a turbulence model, a force/moment routine, a time-step routine, and initial and boundary conditions. In particular, an under-relaxation scheme was implemented to enhance the solution stability. Major physical assumptions and simplifications made in the analysis include the neglect of linkages, slightly reduced flapper diameter, and smooth solid surfaces. A grid size of 54 x 21 x 25 was employed for both the LO2 and LH2 units. Mixing length theory applied to turbulent shear flow in pipes formed the basis for the simple turbulence model. Results of the analysis are presented for LO2 and LH2 disconnects.

Kandula, Max↗
DOE OSTI2021

Two-Component Multireference Restricted Active Space Configuration Interaction for the Computation of L-Edge X-ray Absorption Spectra

X-ray absorption spectroscopy is a powerful probe of local electronic and nuclear structure, providing insights into chemical processes. The theoretical prediction and interpretation of metal L-edge X-ray absorption spectra is complicated by both relativistic effects, including spin-orbit coupling, and by the multiconfigurational nature of the states involved. This work details an exact two-component multireference restricted active space configuration interaction (X2C-MRRASCI) scheme that uses an exact two-component state average complete active space self-consistent-field method (X2C-SA-CASSCF), which includes the spin-orbit coupling in a variational manner, for the accurate description of the electronic structure before using a restricted active space configuration interaction method to describe the core excited states of the X-ray spectrum. Benchmark calculations are presented for a series of iron containing complexes, with results showing key features of the spectrum being reproduced, including ligand to metal charge transfer and shake-up excitations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Structure and electronic tunability of acene alkylamine based layered hybrid organic-inorganic perovskites from first principles

Twelve layered hybrid organic-inorganic perovskites combining oligoacene derivatives [phenylmethylammonium (PMA), naphthylmethylammonium (NMA), anthrylmethylammonium (AMA), and tetrylmethylammonium (TMA)] and lead halides (Cl - , Br - , and I - anions) are investigated by first-principles density functional theory (DFT), showing broad, rational tunability of band gap, quantum well type, and spin-dependent energy band properties. Six compounds are known from previous syntheses and are used to devise a computational search space for likely low-energy structures. Among the six known compounds, a refined structure is identified for (NMA) 2 ⁢ PbCl 4 and a new, lower-energy structure is suggested for (AMA) 2 ⁢PbCl 4 . The DFT based search methodology is next applied to predict the likely structures for the six unknown compounds. Computationally predicted energy levels for all 12 compounds from spin-orbit coupled hybrid DFT reveal tunable type I quantum well alignments, with frontier orbitals located on the inorganic component, on the organic component, or on both, as controlled by cation and anion selection. In conclusion, several structures spontaneously break local and global inversion symmetry, causing strong spin splitting of the conduction bands [up to 0.12 eV for (PMA) 2 ⁢PbCl 4 ] and showing potential for spin-dependent transport properties and future spintronic and tunable chiroptical applications.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Computational methods and software systems for dynamics and control of large space structures

This final report on computational methods and software systems for dynamics and control of large space structures covers progress to date, projected developments in the final months of the grant, and conclusions. Pertinent reports and papers that have not appeared in scientific journals (or have not yet appeared in final form) are enclosed. The grant has supported research in two key areas of crucial importance to the computer-based simulation of large space structure. The first area involves multibody dynamics (MBD) of flexible space structures, with applications directed to deployment, construction, and maneuvering. The second area deals with advanced software systems, with emphasis on parallel processing. The latest research thrust in the second area, as reported here, involves massively parallel computers.

Park, K. C.↗
DOE OSTI2021

Transforming Energy through Computational Science: Computing for Clean Energy

This fact sheet discusses the opportunity space for NREL's computational science capabilities to address national clean energy objectives. Achieving a carbon-free power sector by 2035 as a step towards a decarbonized U.S. energy economy in 2050 will require major advances in power generation, autonomous energy systems, transportation, and buildings/communities. Development of integrated modeling approaches for complex energy systems will be essential for deployment. Success requires developments in optimization and control theory, complemented by machine learning (ML) and artificial intelligence (AI), all of which in turn need targeted investments in breadth and scale of computing. This document defines an opportunity space where: embracing computing can link established research and development (R&D) to a decarbonization agenda; pursuing emerging approaches can accelerate the pace of technology advancement across the portfolio; and leading by example could reduce the carbon footprint of computing worldwide.

advanced computing↗
NASA NTRSDate not supplied

Facilitating Crew-Computer Collaboration During Mixed-Initiative Space Mission Planning

As NASA looks toward longer duration missions, there will inevitably be a stronger emphasis on crew autonomy, particularly in the domains of mission planning. Ensuring that astronauts, while subject to lengthy periods of communication delay with Earth-based mission support personnel, are able to independently adapt their schedules to rapidly changing environments is a critical aspect of deep-space exploration. This task will likely require the assistance of computer support systems, as the task of mission planning is complex and currently requires dedicated console operators. A mixed-initiative approach can help alleviate some of the more workload-heavy aspects of planning by offloading the intricate task of constraint management to a computer, while still allowing the crew member to maintain overall control of the plan. Playbook is a mission planning tool that has been developed specifically to support this type of mixed-initiative scheduling. This paper examines: 1) the operational evidence of the challenges and viability of autonomous crew planning, and 2) the novel scheduling capabilities in Playbook that are meant to address those findings.

human-computer interaction↗
NASA NTRS2012

Fault-Tolerant, Real-Time, Multi-Core Computer System

A document discusses a fault-tolerant, self-aware, low-power, multi-core computer for space missions with thousands of simple cores, achieving speed through concurrency. The proposed machine decides how to achieve concurrency in real time, rather than depending on programmers. The driving features of the system are simple hardware that is modular in the extreme, with no shared memory, and software with significant runtime reorganizing capability. The document describes a mechanism for moving ongoing computations and data that is based on a functional model of execution. Because there is no shared memory, the processor connects to its neighbors through a high-speed data link. Messages are sent to a neighbor switch, which in turn forwards that message on to its neighbor until reaching the intended destination. Except for the neighbor connections, processors are isolated and independent of each other. The processors on the periphery also connect chip-to-chip, thus building up a large processor net. There is no particular topology to the larger net, as a function at each processor allows it to forward a message in the correct direction. Some chip-to-chip connections are not necessarily nearest neighbors, providing short cuts for some of the longer physical distances. The peripheral processors also provide the connections to sensors, actuators, radios, science instruments, and other devices with which the computer system interacts.

Gostelow, Kim P.↗
NASA NTRS2020

Applicability and Utility of the Astromaterials X-Ray Computed Tomography Laboratory at Johnson Space Center

The Astromaterials Acquisition and Curation Office at NASA’s Johnson Space Center is responsible for curating all of NASA’s astromaterial sample collections (i.e. Apollo samples, Luna Samples, Antarctic Meteorites, Cosmic Dust Particles, Microparticle Impact Collection, Genesis solar wind atoms, Stardust comet Wild-2 particles, Stardust interstellar particles, and Hayabusa asteroid Itokawa particles) [1-3]. To assist in sample curation and distribution, JSC Curation has recently installed an X-ray computed tomography (XCT) scanner to visualize and characterize samples in 3D. [3] describes the instrumental set-up and the utility of XCT to astromaterials curation. Here we describe some of the current and future projects and illustrate the usefulness of XCT in studying astromaterials.

Eckley, S. A.↗
DOE OSTI2024

A deep learning-based workflow for fast prediction of 3D state variables in geological carbon storage: A dimension reduction approach

Deep learning (DL) models are extensively used as surrogate models for high-fidelity simulations of multiphase fluid flow in porous media at large scales, enabling fast forecasts of the spatial–temporal evolution of three-dimensional (3D) state variables in geological carbon storage (GCS). However, training these models in high-dimensional space remains computationally demanding and prone to overfitting because of limited training data. This paper presents a novel workflow to address these challenges by integrating dimension reduction (DR) methods. Here, the proposed workflow employed pre-trained DR models to extract the latent variables of geological models and state variables and utilized the multi-layer perceptron (MLP) for constructing mapping functions between the input and output variables in latent spaces. Subsequently, the pre-trained reconstruction models converted the MLP-predicted latent state variables to their original high-dimensional form. Furthermore, we proposed a novel strategy for the DR and reconstruction of 3D saturation fields to account for the unique data characteristics of sparsity, nonuniformity, and discontinuity. The proposed strategy applied PCA and inverse PCA for 2D average saturation fields and developed a DL-based 3D reconstruction model, leveraging three 2D average saturation fields as input to produce a 3D saturation field as output. The pre-training of DR and reconstruction models and training of MLP models were conducted on 84 Gulf of Mexico (GoM) simulations and evaluated on 12 testing simulations. Each simulation contained 720 monthly time steps, with the first 360 months as the injection period and the rest as the post-injection period. The proposed workflow, incorporating DR and DL models, accurately predicts the normalized 3D pressure fields, achieving mean square error (MSE) of 2.92 × 10 -7 compared to the ground truth obtained from a full-physics simulator. Furthermore, the proposed strategy outperformed PCA and convolutional autoencoder (CAE) models on 3D saturation fields, resulting in minor workflow prediction errors with an MSE of 2.93 × 10 -5 . The results suggest the proposed workflow provides sufficient predictive fidelity across temporal and spatial scales, and enables a speedup of 160 times compared to the full-physics simulator, facilitating improved decision-making and risk assessment for large-scale GCS management in real-time scenarios.

3D reconstruction model↗
DOE OSTI2023

DeCOIL: Optimization of Degenerate Codon Libraries for Machine Learning-Assisted Protein Engineering

With advances in machine learning (ML)-assisted protein engineering, models based on data, biophysics, and natural evolution are being used to propose informed libraries of protein variants to explore. Synthesizing these libraries for experimental screens is a major bottleneck, as the cost of obtaining large numbers of exact gene sequences is often prohibitive. Degenerate codon (DC) libraries are a cost-effective alternative for generating combinatorial mutagenesis libraries where mutations are targeted to a handful of amino acid sites. However, existing computational methods to optimize DC libraries to include desired protein variants are not well suited to design libraries for ML-assisted protein engineering. To address these drawbacks, we present DEgenerate Codon Optimization for Informed Libraries (DeCOIL), a generalized method which directly optimizes DC libraries to be useful for protein engineering: to sample protein variants that are likely to have both high fitness and high diversity in the sequence search space. Using computational simulations and wet-lab experiments, we demonstrate that DeCOIL is effective across two specific case studies, with potential to be applied to many other use cases. DeCOIL offers several advantages over existing methods, as it is direct, easy-to-use, generalizable, and scalable. With accompanying software, DeCOIL can be readily implemented to generate desired informed libraries.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Parallel Multigrid in Time and Space for Extreme-Scale Computational Science: Chaotic and Hyperbolic Problems

The coming massive parallelism of exascale computing presents a pressing challenge for the many DOE simulations of time-dependent partial differential equations (PDEs), which typically use traditional sequential time stepping methods. Since this traditional approach is inherently serial, it presents a sequential bottleneck when moving to exascale computing, because future performance gains will come through greater concurrency, not faster clock speeds. Thus, the goal of this work is to research parallelism in time, i.e., methods that compute multiple time values simultaneously, not sequentially. The focus will be on hyperbolic and chaotic problems of interest to DOE, with the goal of enabling scalable simulations of time-dependent hyperbolic and chaotic problems on future architectures. The chosen methodology for solving these problems parallel-in-time is multigrid, because multigrid (when it works) is a powerful, optimal, and scalable solver for discretized PDEs. Multigrid is already commonly used in many DOE simulations for scalably and optimally solving space-only PDE problems. The areas of hyperbolic and chaotic problems are chosen because of their relevance to problems of programmatic interest to DOE. However, these problems are also well-known to be difficult for parallelin-time methods, with the most common method, parareal, diverging in many cases. The current stateof-the-art for parallel-in-time at LLNL is the multigrid reduction in time (MGRIT) XBraid package, which also struggles for such problems, while still showing some improvement over parareal. In summary, new methods are needed for an efficient parallel-in-time scheme for hyperbolic and chaotic problems, and this work shall research promising new multigrid methods in this area. In particular, we take inspiration from the Least Squares Shadowing (LSS by Wang) approach for solving chaotic problems. Here, an optimization approach is able to find “well-conditioned” shadow trajectories/solutions to the original “ill-conditioned” chaotic problem. Thus, the new multigrid methods researched here also arise in an optimization context.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Computer image generation: Reconfigurability as a strategy in high fidelity space applications

The demand for realistic, high fidelity, computer image generation systems to support space simulation is well established. However, as the number and diversity of space applications increase, the complexity and cost of computer image generation systems also increase. One strategy used to harmonize cost with varied requirements is establishment of a reconfigurable image generation system that can be adapted rapidly and easily to meet new and changing requirements. The reconfigurability strategy through the life cycle of system conception, specification, design, implementation, operation, and support for high fidelity computer image generation systems are discussed. The discussion is limited to those issues directly associated with reconfigurability and adaptability of a specialized scene generation system in a multi-faceted space applications environment. Examples and insights gained through the recent development and installation of the Improved Multi-function Scene Generation System at Johnson Space Center, Systems Engineering Simulator are reviewed and compared with current simulator industry practices. The results are clear; the strategy of reconfigurability applied to space simulation requirements provides a viable path to supporting diverse applications with an adaptable computer image generation system.

Bartholomew, Michael J.↗
NASA NTRS1974

Computer study of emergency shutdowns of a 60-kilowatt reactor Brayton space power system

A digital computer study of emergency shutdowns of a 60-kWe reactor Brayton power system was conducted. Malfunctions considered were (1) loss of reactor coolant flow, (2) loss of Brayton system gas flow, (3)turbine overspeed, and (4) a reactivity insertion error. Loss of reactor coolant flow was the most serious malfunction for the reactor. Methods for moderating the reactor transients due to this malfunction are considered.

Tew, R. C.↗
NASA NTRS2000

Computational Aeroacoustics by the Space-Time CE/SE Method

The Space-Time Conservation Element and Solution Element Method, or CE/SE Method for short, is a newly developed numerical method for conservation laws. Despite its second order accuracy, it possesses low dispersion errors and low dissipation. The method is robust enough to cover a wide spectrum of compressible flows: from weak linear acoustic waves to strong discontinuous waves (shocks). An outstanding feature of the CE/SE scheme is its novel, simple but effective non-reflecting boundary condition (NRBC), which is particularly valuable for CAA (computational aeroacoustics). In this seminar, the 1-D and 2-D unstructured version of the CE/SE schemes are first briefly described. Secondly, some discussions on the NRBC are given. Then, various examples for linear, nonlinear aeroacoustics are presented.

Loh, Ching Y.↗
NASA NTRS1999

Self-organizing map (SOM) of space acceleration measurement system (SAMS) data

In this paper, space acceleration measurement system (SAMS) data have been classified using self-organizing map (SOM) networks without any supervision; i.e., no a priori knowledge is assumed regarding input patterns belonging to a certain class. Input patterns are created on the basis of power spectral densities of SAMS data. Results for SAMS data from STS-50 and STS-57 missions are presented. Following issues are discussed in details: impact of number of neurons, global ordering of SOM weight vectors, effectiveness of a SOM in data classification, and effects of shifting time windows in the generation of input patterns. The concept of 'cascade of SOM networks' is also developed and tested. It has been found that a SOM network can successfully classify SAMS data obtained during STS-50 and STS-57 missions.

STS-57 Shuttle Project↗