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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

New Computer Simulations of Macular Neural Functioning

We use high performance graphics workstations and supercomputers to study the functional significance of the three-dimensional (3-D) organization of gravity sensors. These sensors have a prototypic architecture foreshadowing more complex systems. Scaled-down simulations run on a Silicon Graphics workstation and scaled-up, 3-D versions run on a Cray Y-MP supercomputer. A semi-automated method of reconstruction of neural tissue from serial sections studied in a transmission electron microscope has been developed to eliminate tedious conventional photography. The reconstructions use a mesh as a step in generating a neural surface for visualization. Two meshes are required to model calyx surfaces. The meshes are connected and the resulting prisms represent the cytoplasm and the bounding membranes. A finite volume analysis method is employed to simulate voltage changes along the calyx in response to synapse activation on the calyx or on calyceal processes. The finite volume method insures that charge is conserved at the calyx-process junction. These and other models indicate that efferent processes act as voltage followers, and that the morphology of some afferent processes affects their functioning. In a final application, morphological information is symbolically represented in three dimensions in a computer. The possible functioning of the connectivities is tested using mathematical interpretations of physiological parameters taken from the literature. Symbolic, 3-D simulations are in progress to probe the functional significance of the connectivities. This research is expected to advance computer-based studies of macular functioning and of synaptic plasticity.

Ross, Muriel D.↗
DOE OSTI2025

Reticular Materials and AI-Driven Computer Simulations for Seawater Mining of Valuable Metals (Final Technical Report)

This Final Technical Report describes our exploratory efforts that combine reticular materials synthesis (hydrolytically robust metal–organic frameworks, MOFs) with AI‑enabled molecular simulations to develop mechanistic, quantitative design rules for recovering lithium and other alkali-metal ions from highly dilute, competitive aqueous resources (e.g., seawater). The central outcome is a joint experimental–computational study of ion uptake in MOF‑808 (Chemical Science, 2025) that quantifies both thermodynamics and kinetics of Li + , Na + , and K + uptake and identifies how pore size, pore hydration state, dehydration penalties, and pore-window transport barriers govern selectivity. Guided by these insights, we synthesized and tested functionalized MOF‑808 and multivariate MOFs incorporating ion-recognition motifs (including carboxylates and crown-ether linkers) and evaluated uptake in synthetic seawater, highlighting framework topology and pore chemistry as levers for improved Li + /Na + discrimination. We also developed transferable simulation models, enhanced-sampling protocols, and automated workflows that enable systematic screening of porous sorbents.

42 ENGINEERING↗
NASA NTRS2005

Computational Simulation of Damage Propagation in Three-Dimensional Woven Composites

Three dimensional (3D) woven composites have demonstrated multi-directional properties and improved transverse strength, impact resistance, and shear characteristics. The objective of this research is to develop a new model for predicting the elastic constants, hygrothermal effects, thermomechanical response, and stress limits of 3D woven composites; and to develop a computational tool to facilitate the evaluation of 3D woven composite structures with regard to damage tolerance and durability. Fiber orientations of weave and braid patterns are defined with reference to composite structural coordinates. Orthotropic ply properties and stress limits computed via micromechanics are transformed to composite structural coordinates and integrated to obtain the 3D properties. The various stages of degradation, from damage initiation to collapse of structures, in the 3D woven structures are simulated for the first time. Three dimensional woven composite specimens with various woven patterns under different loading conditions, such as tension, compression, bending, and shear are simulated in the validation process of this research. Damage initiation, growth, accumulation, and propagation to fracture are included in these simulations.

Huang, Dade↗
NASA NTRS1988

Computational simulation methods for composite fracture mechanics

Structural integrity, durability, and damage tolerance of advanced composites are assessed by studying damage initiation at various scales (micro, macro, and global) and accumulation and growth leading to global failure, quantitatively and qualitatively. In addition, various fracture toughness parameters associated with a typical damage and its growth must be determined. Computational structural analysis codes to aid the composite design engineer in performing these tasks were developed. CODSTRAN (COmposite Durability STRuctural ANalysis) is used to qualitatively and quantitatively assess the progressive damage occurring in composite structures due to mechanical and environmental loads. Next, methods are covered that are currently being developed and used at Lewis to predict interlaminar fracture toughness and related parameters of fiber composites given a prescribed damage. The general purpose finite element code MSC/NASTRAN was used to simulate the interlaminar fracture and the associated individual as well as mixed-mode strain energy release rates in fiber composites.

Murthy, Pappu L. N.↗
NASA NTRS1989

Computer simulations of cosmic-ray diffusion near supernova remnant shock waves

A plasma simulation model was used to study the resonant interactions between streaming cosmic-ray ions and a self-consistent spectrum of Alfven waves, such as might exist in the interstellar medium upstream of a supernova remnant shock wave. The computational model is a hybrid one, in which the background interstellar medium is an MHD fluid and the cosmic-rays are discrete kinetic particles. The particle sources for the electromagnetic fields are obtained by averaging over the fast cyclotron motions. When the perturbed magnetic field is larger than 10 percent of the background field, the macro- and microphysics are no longer correctly predicted by quasi-linear theory. The particles are trapped by the waves and show sharp jumps in their pitch-angles relative to the background magnetic field, and the effective ninety-degree scattering time for diffusion parallel to the background magnetic field is reduced to between 5 and 30 cyclotron periods. Simulation results suggest that Type 1 supernova remnants may be the principal sites of cosmic ray acceleration.

Max, C. E.↗
NASA NTRS1994

Computational simulation of liquid fuel rocket injectors

A major component of any liquid propellant rocket is the propellant injection system. Issues of interest include the degree of liquid vaporization and its impact on the combustion process, the pressure and temperature fields in the combustion chamber, and the cooling of the injector face and chamber walls. The Finite Difference Navier-Stokes (FDNS) code is a primary computational tool used in the MSFC Computational Fluid Dynamics Branch. The branch has dedicated a significant amount of resources to development of this code for prediction of both liquid and solid fuel rocket performance. The FDNS code is currently being upgraded to include the capability to model liquid/gas multi-phase flows for fuel injection simulation. An important aspect of this effort is benchmarking the code capabilities to predict existing experimental injection data. The objective of this MSFC/ASEE Summer Faculty Fellowship term was to evaluate the capabilities of the modified FDNS code to predict flow fields with liquid injection. Comparisons were made between code predictions and existing experimental data. A significant portion of the effort included a search for appropriate validation data. Also, code simulation deficiencies were identified.

Landrum, D. Brian↗
NASA NTRS1973

Computer simulation for time optimal or energy optimal attitude control of spin-stabilized spacecraft.

An original technique for determining the optimal magnetic torque strategy for control of the attitude of spin stabilized spacecraft is presented. By employing Lagrange multipliers and the Calculus of Variations, optimal control equations are derived which define minimum time and minimum energy attitude maneuvers. Computer program algorithms to numerically solve these optimal control equations are also described. The performance of this technique is compared with a commonly employed planning method.

Woolley, R. D.↗
NASA NTRS1972

Computer simulation of impurity diffusion in silicon, part 1

The elementary classical models for idealized diffusion conditions are described, and the principles are then used in developing more realistic models. The practical models require some type of numerical analysis. The numerical techniques are outlined and details concerning their implementation are given. Some results are presented which were obtained with the computer programs implementing the numerical techniques with implicit and explicit methods. Special problems of impurity-rich interlayers forming between an oxide and silicon are considered. A set of computed curves for sheet resistance, junction depth, and oxide thickness for different diffusion schedules is included.

Gassaway, J. D.↗
NASA NTRS2000

Theoretical Modeling and Computer Simulations for the Origins and Evolution of Reproducing Molecular Systems and Complex Systems with Many Interactive Parts

Our research effort has produced nine publications in peer-reviewed journals listed at the end of this report. The work reported here are in the following areas: (1) genetic network modeling; (2) autocatalytic model of pre-biotic evolution; (3) theoretical and computational studies of strongly correlated electron systems; (4) reducing thermal oscillations in atomic force microscope; (5) transcription termination mechanism in prokaryotic cells; and (6) the low glutamine usage in thennophiles obtained by studying completely sequenced genomes. We discuss the main accomplishments of these publications.

Liang, Shoudan↗
NASA NTRS1992

Structural Tailoring/Analysis for Hypersonic Components - A computational simulation

The development of STAHYC (Structural Tailoring/Analysis for Hypersonic Components), a numerical tool for the optimum design of an engine inlet wall panel for hypersonic aerospace vehicles, is described. STAHYC integrates FORTRAN modules of different disciplines, including fluid dynamics, heat transfer, structural analysis, and optimization. The discussion covers the system design concept, system components, system automation, system testing, established links, and data transfer between different computational modules. The various algorithms used in STAHYC are also discussed.

Narayanan, G. V.↗
NASA NTRS1988

Computational simulation of turbulent flow in Space Shuttle Main Engine turnaround ducts

Two axisymmetric 180-deg turnaround ducts are used in the Space Shuttle Main Engine (SSME) to connnect the preburners with the main thrust chamber. The prediction of the flow field and heat transfer within the turnaround ducts is important to minimize the pressure drops, size of recirculation and stagnation zones, local overheating, etc. This paper presents the computational approach and selected results for the turbulent flow in the turnaround ducts of the fuel and oxidizer sides of the SSME. The time-averaged, Navier-Stokes equations for the viscous, compressible, turbulent flow are solved in body-fitted-coordinates by using a finite-volume approach. Two turbulence models, viz: the k-epsilon model and a multiple scale turbulence model, are used to examine the sensitivity of calculated flows. Both models produce almost identical solutions for the fuelside turnaround duct (which has no recirculation region). However, for the oxidizer-side duct which has a large recirculation region, the two models show quite different results.

Przekwas, Andrzej J.↗
NASA NTRS1993

A method of obtaining signal components of residual carrier signal with their power content and computer simulation

A novel algorithm to obtain all signal components of a residual carrier signal with any number of channels is presented. The phase modulation type may be NRZ-L or split phase (Manchester). The algorithm also provides a simple way to obtain the power contents of the signal components. Steps to recognize the signal components that influence the carrier tracking loop and the data tracking loop at the receiver are given. A computer program for numerical computation is also provided.

Kantak, Anil V.↗
NASA NTRS1990

Computational simulation of flows about hypersonic geometries with sharp leading edges

Hypersonic waverider design has become an important concern in the aerospace industry. As one part of an inverse design effort for waveriders, work has been done to apply existing Euler and Navier-Stokies flow solvers to hypersonic geometries with sharp leading edges. Previously, calculations were done on bodies with rounded leading edges or with conical solutions for the nose initial conditions. In this paper, solutions are computed about waveriders and conical shapes with sharp leading edges without resorting to either shortrcut. All solutions show attached shocks with fully supersonic flows at the nose and along the leading edges. Flows about several waverider shapes are shown, as well as a preliminary cone with inlet calculation to study the shock/inlet interaction.

Jones, Kevin D.↗
NASA NTRS1984

Computer simulation of the effects of transmission-averaging in microdensitometry

One of the principal advantages of electrography when compared to photography is the nearly linear relationship between source intensity versus resulting image density. This property allows for simplified and more accurate photometric calibration and permits a certain degree of extrapolation of the calibration to beyond the limits of the faintest photoelectric standard on an exposure. The desires to extract quantitative photometric information from electrographic (or photographic) negatives and to convert this information into a digital format for computer analysis or enhancement led to the widespread use of scanning microdensitometers to perform this A-to-D conversion. Therefore it is of vital importance to understand and, if practical, to avoid any nonlinearities which may be introduced during microdensitometry of electrographic emulsions.

Heckathorn, H. M.↗
NASA NTRS1971

Computer simulation of supersonic rarefied gas flow in the transition region, about a spherical probe; a Monte Carlo approach with application to rocket-borne ion probe experiments

This report describes a Monte Carlo simulation of transition flow around a sphere. Conditions for the simulation correspond to neutral monatomic molecules at two altitudes (70 and 75 km) in the D region of the ionosphere. Results are presented in the form of density contours, velocity vector plots and density, velocity and temperature profiles for the two altitudes. Contours and density profiles are related to independent Monte Carlo and experimental studies, and drag coefficients are calculated and compared with available experimental data. The small computer used is a PDP-15 with 16 K of core, and a typical run for 75 km requires five iterations, each taking five hours. The results are recorded on DECTAPE to be printed when required, and the program provides error estimates for any flow field parameter.

Horton, B. E.↗
NASA NTRS1979

Computational simulation of turbulent vortex merger and decay

The interaction and eventual merger of corotational vortices and the decay of a single vortex have been studied by employing zero-, one- and two-equation turbulent-flow models in order to gain a better understanding of the role of turbulence. An implicit finite-difference procedure is used to integrate the unsteady, two-dimensional equations in a cross-plane. The zero- and one-equation formulations utilize a mixing-length model, which incorporates the streamline curvature effect by prescribing a spatially-varying mixing-length. In the two-equation model, the turbulence kinetic energy equation and a modified rate of dissipation equation which includes a streamline curvature correction are solved. Computational results of different models applied to various flow-configurations are presented and compared with available experimental data whenever possible.

Raj, P.↗
NASA NTRS1996

Computational Simulation of Damage Progression of Composite Thin Shells Subjected to Mechanical Loads

Defect-free and defected composite thin shells with ply orientation (90/0/+/-75) made of graphite/epoxy are simulated for damage progression and fracture due to internal pressure and axial loading. The thin shells have a cylindrical geometry with one end fixed and the other free. The applied load consists of an internal pressure in conjunction with an axial load at the free end, the cure temperature was 177 C (350 F) and the operational temperature was 21 C (70 F). The residual stresses due to the processing are taken into account. Shells with defect and without defects were examined by using CODSTRAN an integrated computer code that couples composite mechanics, finite element and account for all possible failure modes inherent in composites. CODSTRAN traces damage initiation, growth, accumulation, damage propagation and the final fracture of the structure. The results show that damage initiation started with matrix failure while damage/fracture progression occurred due to additional matrix failure and fiber fracture. The burst pressure of the (90/0/+/- 75) defected shell was 0.092% of that of the free defect. Finally the results of the damage progression of the (90/0/+/- 75), defective composite shell was compared with the (90/0/+/- theta, where theta = 45 and 60, layup configurations. It was shown that the examined laminate (90/0/+/- 75) has the least damage tolerant of the two compared defective shells with the (90/0/+/- theta), theta = 45 and 60 laminates.

Gotsis, P. K.↗
NASA NTRS1997

Effective Control of Computationally Simulated Wing Rock in Subsonic Flow

The unsteady compressible, full Navier-Stokes (NS) equations and the Euler equations of rigid-body dynamics are sequentially solved to simulate the delta wing rock phenomenon. The NS equations are solved time accurately, using the implicit, upwind, Roe flux-difference splitting, finite-volume scheme. The rigid-body dynamics equations are solved using a four-stage Runge-Kutta scheme. Once the wing reaches the limit-cycle response, an active control model using a mass injection system is applied from the wing surface to suppress the limit-cycle oscillation. The active control model is based on state feedback and the control law is established using pole placement techniques. The control law is based on the feedback of two states: the roll-angle and roll velocity. The primary model of the computational applications consists of a 80 deg swept, sharp edged, delta wing at 30 deg angle of attack in a freestream of Mach number 0.1 and Reynolds number of 0.4 x 10(exp 6). With a limit-cycle roll amplitude of 41.1 deg, the control model is applied, and the results show that within one and one half cycles of oscillation, the wing roll amplitude and velocity are brought to zero.

Kandil, Osama A.↗