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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 757 records · Page 42

Enabling Efficient Sparse Computations using Linear Algebra Aware Compilers

This project developed the LAPIS compiler framework, built on the Multilevel Intermediate Representation (MLIR), to optimize sparse linear algebra operations and support performance portability across diverse architectures. The main innovation of LAPIS is the Kokkos dialect, which allows for lowering codes from a high productivity language to different architectures in an elegant way. The dialect also allows the conversion of lower-level MLIR code to C++ Kokkos code, facilitating the integration of scientific machine learning (SciML) models into applications. To extend LAPIS for distributed memory architectures, a new partition dialect was created to manage the distribution of sparse tensors and express communication patterns for sparse linear algebra operations. This dialect also supports the distributed execution of operators and includes algorithmic optimizations to minimize communication to improve performance. The project also demonstrates that MLIR can enable effective linear algebra-level optimizations, improving performance on different GPUs for both sparse and dense linear algebra kernels. Key applications of LAPIS include sparse linear algebra and graph kernels, TenSQL, a relational database management solution built on GraphBLAS, and the development of subgraph isomorphism and monomorphism kernels, showcasing performance portability. In summary, the LAPIS framework supports productivity, performance, portability, and distributed memory execution, while also enabling linear algebra-level optimizations that are challenging in traditional programming languages, with successful applications ranging from simple sparse linear algebra to complex graph kernels.

97 MATHEMATICS AND COMPUTING↗

Breadboard linear array scan imager using LSI solid-state technology

The performance of large scale integration photodiode arrays in a linear array scan (pushbroom) breadboard was evaluated for application to multispectral remote sensing of the earth's resources. The technical approach, implementation, and test results of the program are described. Several self scanned linear array visible photodetector focal plane arrays were fabricated and evaluated in an optical bench configuration. A 1728-detector array operating in four bands (0.5 - 1.1 micrometer) was evaluated for noise, spectral response, dynamic range, crosstalk, MTF, noise equivalent irradiance, linearity, and image quality. Other results include image artifact data, temporal characteristics, radiometric accuracy, calibration experience, chip alignment, and array fabrication experience. Special studies and experimentation were included in long array fabrication and real-time image processing for low-cost ground stations, including the use of computer image processing. High quality images were produced and all objectives of the program were attained.

Tracy, R. A.↗

Mission Analysis Program for Solar Electric Propulsion (MAPSEP). Volume 1: Analytical manual

The mission analysis program for solar electric propulsion (MAPSEP) is comprised of the basic modes: TOPSEP (trajectory generation), GODSEP (linear error analysis), and SIMSEP (simulation). The program is designed to analyze any low thrust mission with respect to trajectory performance, guidance and navigation, and to provide system related requirements for the purpose of vehicle design. The MAPSEP organization is described along with all models and algorithms. Topics discussed include: trajectory and error covariance propagation methods, orbit determination processes, thrust modeling, and trajectory correction (guidance) schemes.

Hong, P. E.↗

Design trade-offs for a multispectral linear array (MLA) instrument

The NASA Landsat program with imagery produced by the Multispectral Scanner has been thoroughly successful. The second generation of Landsat is represented by the Thematic Mapper, while the MLA sensor belongs to a third generation. It is pointed out that the strength of the MLA concept emanates from the pushbroom image-formation approach, which offers some fundamental improvements over opto-mechanically scanned instruments. The increased dwell time of the MLA sensor can be employed to improve signal-to-noise, spectral resolution, and spatial resolution simultaneously. Problems regarding design tradeoffs are considered, taking into account instrument sizing, configuration tradeoffs, optical design tradeoffs, aspects of spectral separation and registration, and radiometric accuracy and calibration tradeoffs. A description is provided of the instrument concept to which the design tradeoffs have led.

Mika, A. M.↗

Addition of three-dimensional isoparametric elements to NASA structural analysis program (NASTRAN)

Implementation is made of the three-dimensional family of linear, quadratic and cubic isoparametric solid elements into the NASA Structural Analysis program, NASTRAN. This work included program development, installation, testing, and documentation. The addition of these elements to NASTRAN provides a significant increase in modeling capability particularly for structures requiring specification of temperatures, material properties, displacements, and stresses which vary throughout each individual element. Complete program documentation is presented in the form of new sections and updates for direct insertion to the three NASTRAN manuals. The results of demonstration test problems are summarized. Excellent results are obtained with the isoparametric elements for static, normal mode, and buckling analyses.

Field, E. I.↗

Computed Tomography Inspection and Analysis for Additive Manufacturing Components

Computed tomography (CT) inspection was performed on test articles additively manufactured from metallic materials. Metallic AM and machined wrought alloy test articles with programmed flaws were inspected using a 2MeV linear accelerator based CT system. Performance of CT inspection on identically configured wrought and AM components and programmed flaws was assessed using standard image analysis techniques to determine the impact of additive manufacturing on inspectability of objects with complex geometries.

Beshears, Ronald D.↗

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

The recently developed ab-initio multiple cloning (AIMC) approach based on the multicongurational Ehrenfest (MCE) method provides a powerful and accurate way of describing the excited-state dynamics of molecular systems. The AIMC method is a controlled approximation to non-adiabatic dynamics with a particular strength in the proper description of decoherence effects due to branching of vibrational wavepackets at a level crossing. In this work, we report a new implementation of the AIMC algorithm in the open source NWChem computational chemistry program. The framework combines linear-response time-dependent density functional theory with Ehrenfest mean-eld theory to determine the equations of motion for classical trajectories. The multi-dimensional wave function is decomposed into a superposition of Gaussian coherent states guided by Ehrenfest trajectories (i.e., MCE approach), which can clone with fully quantum mechanical amplitudes and phases. By using an efficient time-derivative based non-adiabatic coupling approach within the AIMC method, all observable are calculated on-the-y in the non-adiabatic molecular dynamics process. As a representative example, we apply our implementation to study the ultrafast photoinduced electronic and vibrational energy transfer in a pyridine molecule. The effects of the cloning procedure on electronic and vibrational coherence, relaxation and unidirectional energy transfer are discussed. This new AIMC implementation provides a high-level non-adiabatic molecular dynamics framework for simulating photoexcited dynamics in complex molecular systems and experimentally relevant ultrafast spectroscopic probes, such as nonlinear coherent optical and X-ray signals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mapping the catalytic conformations of an assembly-line polyketide synthase module

Assembly-line polyketide synthases, such as the 6-deoxyerythronolide B synthase (DEBS), are large enzyme factories prized for their ability to produce specific and complex polyketide products. By channeling protein-tethered substrates across multiple active sites in a defined linear sequence, these enzymes facilitate programmed small-molecule syntheses that could theoretically be harnessed to access countless polyketide product structures. Additionally, using cryogenic electron microscopy to study DEBS module 1, we present a structural model describing this substrate-channeling phenomenon. Our 3.2- to 4.3-angstrom-resolution structures of the intact module reveal key domain-domain interfaces and highlight an unexpected module asymmetry. We also present the structure of a product-bound module that shines light on a recently described “turnstile” mechanism for transient gating of active sites along the assembly line.

59 BASIC BIOLOGICAL SCIENCES↗

hhg v1.0

The program simulates the non-linear propagation of a laser pulse through a gas medium and calculates the emission of harmonic radiation. The computational model includes the optical Kerr-effect and multiphoton ionization of the gas resulting in plasma dynamics.

Schroeder, Christian [Lawrence Berkeley National L↗

Mathematical Optimization Techniques

The papers collected in this volume were presented at the Symposium on Mathematical Optimization Techniques held in the Santa Monica Civic Auditorium, Santa Monica, California, on October 18-20, 1960. The objective of the symposium was to bring together, for the purpose of mutual education, mathematicians, scientists, and engineers interested in modern optimization techniques. Some 250 persons attended. The techniques discussed included recent developments in linear, integer, convex, and dynamic programming as well as the variational processes surrounding optimal guidance, flight trajectories, statistical decisions, structural configurations, and adaptive control systems. The symposium was sponsored jointly by the University of California, with assistance from the National Science Foundation, the Office of Naval Research, the National Aeronautics and Space Administration, and The RAND Corporation, through Air Force Project RAND.

Bellman, R.↗

Advanced mission analysis programs

Computer programs provide preliminary trajectory and guidance information required for feasibility studies in space mission analysis. The advanced mission analysis computer programs include programs for approximate solutions, programs for targeting and output, and programs for Monte Carlo and linear guidance analysis.

Bjorkman, W. S.↗

The effect of angle of attach on the buckling of Mars entry aeroshells

The buckling modes of four optimized Mars entry aeroshell configurations at angle-of-attack loadings have been calculated. The analysis is based on experimental pressure distributions and was performed with the aid of a buckling digital computer program which treats general asymmetric linearized prebuckling states of branched shells of revolution. Only zero and first harmonic pressure components are treated, these being constructed from windward and leeward meridian pressure data at a mach number of 4.63. The results showed a rather small effect of the unsymmetrical pressure component on buckling for angles of attack up to 15 deg. Comparison of the results for the 120 deg cones to previous results indicates that the common procedure of basing the design on a symmetrized pressure distribution of the windward meridian is a conservative approach.

Cohen, G. A.↗

Computer Programs for Calculating and Plotting the Stability Characteristics of a Balloon Tethered in a Wind

Computer programs for calculating the stability characteristics of a balloon tethered in a steady wind are presented. Equilibrium conditions, characteristic roots, and modal ratios are calculated for a range of discrete values of velocity for a fixed tether-line length. Separate programs are used: (1) to calculate longitudinal stability characteristics, (2) to calculate lateral stability characteristics, (3) to plot the characteristic roots versus velocity, (4) to plot the characteristic roots in root-locus form, (5) to plot the longitudinal modes of motion, and (6) to plot the lateral modes for motion. The basic equations, program listings, and the input and output data for sample cases are presented, with a brief discussion of the overall operation and limitations. The programs are based on a linearized, stability-derivative type of analysis, including balloon aerodynamics, apparent mass, buoyancy effects, and static forces which result from the tether line.

Bennett, R. M.↗

Equation solving program for aerodynamic lifting surface theory

A description of and user's manual are presented for one of a group of FORTRAN programs which, together, can be used for the analysis and design of wings in steady, subsonic flow according to a kernel function method lifting surface theory. This particular program is the one which solves the sets of simultaneous, linear, algebraic equations arising from the thin wing analysis. This program has the capability of striking out rows and columns of the aerodynamic influence matrix and rows of the associated boundary condition vectors (right hand sides). This capability significantly enhances the effectiveness of the kernel function method of lifting surface theory because studies of the convergence of solutions with the number of control points can be done with the calculation of only a single influence matrix.

Medan, R. T.↗

JPL transient radiation analysis by computer program (JTRAC)

Digital computer program, JTRAC, simulates time response of electronic circuit to arbitrary forcing functions which may include electrical and/or radiation stimuli. Program is designed to solve linear and nonlinear simultaneous equations which characterize mathematical models used to predict circuit response for electrical and/or radiation input.

Weinstein, S.↗

The Apollo 16 regolith - A petrographically-constrained chemical mixing model

A mixing model for Apollo 16 regolith samples has been developed, which differs from other A-16 mixing models in that it is both petrographically constrained and statistically sound. The model was developed using three components representative of rock types present at the A-16 site, plus a representative mare basalt. A linear least-squares fitting program employing the chi-squared test and sum of components was used to determine goodness of fit. Results for surface soils indicate that either there are no significant differences between Cayley and Descartes material at the A-16 site or, if differences do exist, they have been obscured by meteoritic reworking and mixing of the lithologies.

Kempa, M. J.↗