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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Synthesis, vapor growth, polymerization, and characterization of thin films of novel diacetylene derivatives of pyrrole. The use of computer modeling to predict chemical and optical properties of these diacetylenes and poly(diacetylenes)

In the present work two diacetylene derivatives of pyrrole which are predicted by semiempirical AM1 calculations to have very different properties, are synthesized; the polymerizability of these diacetylenes in the solid state is determined, and the results are compared to the computer predictions. Diacetylene 1 is novel in that the monomer is a liquid at room temperature; this may allow for the possibility of polymerization in the liquid state as well as the solid state. Thin poly(diacetylene) films are obtained from compound 1 by growing films of the monomer using vapor deposition and polymerizing with UV light; these films are then characterized. Interestingly, while the poly(diacetylene) from 1 does not possess good nonlinear optical properties, the monomer exhibits very good third-order effects (phase conjugation) in solution. Dilute acetone solutions of the monomer 1 give intensity-dependent refractive indices on the order of 10 exp -6 esu; these are 10 exp 6 times better than for CS2.

Paley, M. S.↗
NASA NTRS2003

Alignment of the Grating Wheel Mechanism for a Ground-Based, Cryogenic, Near-Infrared Astronomy Instrument

We describe the population, optomechanical alignment, and alignment verification of near-infrared gratings on the grating wheel mechanism (GWM) for the Infrared Multi-Object Spectrometer (IRMOS). IRMOS is a cryogenic (80 K), principle investigator-class instrument for the 2.1 m and Mayall 3.8 m telescopes at Kitt Peak National Observatory, and a MEMS spectrometer concept demonstrator for the James Webb Space Telescope. The GWM consists of 13 planar diffraction gratings and one flat imaging mirror (58 x 57 mm), each mounted at a unique compound angle on a 32 cm diameter gear. The mechanism is predominantly made of Al 6061. The grating substrates are stress relieved for enhanced cryogenic performance. The optical surfaces are replicated from off-the-shelf masters. The imaging mirror is diamond turned. The GWM spans a projected diameter of approx. 48 cm when fully assembled, utilizes several flexure designs to accommodate potential thermal gradients, and is controlled using custom software with an off-the-shelf controller. Under ambient conditions, each grating is aligned in six degrees of freedom relative to a coordinate system that is referenced to an optical alignment cube mounted at the center of the gear. The local tip/tilt (Rx/Ry) orientation of a given grating is measured using the zero-order return from an autocollimating theodolite. The other degrees of freedom are measured using a two-axis cathetometer and rotary table. Each grating's mount includes a one-piece shim located between the optic and the gear. The shim is machined to fine align each grating. We verify ambient alignment by comparing grating difractive properties to model predictions.

Gutkowski, Sharon M.↗
NASA NTRS2012

Constraining Gamma-Ray Pulsar Gap Models with a Simulated Pulsar Population

With the large sample of young gamma-ray pulsars discovered by the Fermi Large Area Telescope (LAT), population synthesis has become a powerful tool for comparing their collective properties with model predictions. We synthesised a pulsar population based on a radio emission model and four gamma-ray gap models (Polar Cap, Slot Gap, Outer Gap, and One Pole Caustic). Applying gamma-ray and radio visibility criteria, we normalise the simulation to the number of detected radio pulsars by a select group of ten radio surveys. The luminosity and the wide beams from the outer gaps can easily account for the number of Fermi detections in 2 years of observations. The wide slot-gap beam requires an increase by a factor of 10 of the predicted luminosity to produce a reasonable number of gamma-ray pulsars. Such large increases in the luminosity may be accommodated by implementing offset polar caps. The narrow polar-cap beams contribute at most only a handful of LAT pulsars. Using standard distributions in birth location and pulsar spin-down power (E), we skew the initial magnetic field and period distributions in a an attempt to account for the high E Fermi pulsars. While we compromise the agreement between simulated and detected distributions of radio pulsars, the simulations fail to reproduce the LAT findings: all models under-predict the number of LAT pulsars with high E , and they cannot explain the high probability of detecting both the radio and gamma-ray beams at high E. The beaming factor remains close to 1.0 over 4 decades in E evolution for the slot gap whereas it significantly decreases with increasing age for the outer gaps. The evolution of the enhanced slot-gap luminosity with E is compatible with the large dispersion of gamma-ray luminosity seen in the LAT data. The stronger evolution predicted for the outer gap, which is linked to the polar cap heating by the return current, is apparently not supported by the LAT data. The LAT sample of gamma-ray pulsars therefore provides a fresh perspective on the early evolution of the luminosity and beam width of the gamma-ray emission from young pulsars, calling for thin and more luminous gaps.

Pierbattista, Marco↗
NASA NTRS2018

Multiscale Modeling of PEEK Using Reactive Molecular Dynamics Modeling and Micromechanics

Polyether ether ketone (PEEK) is a high-performance, semi-crystalline thermoplastic that is used in a wide range of engineering applications, including some structural components of aircraft. The design of new PEEK-based materials requires a precise understanding of the multiscale structure and behavior of semi-crystalline PEEK. Molecular Dynamics (MD) modeling can efficiently predict bulk-level properties of single phase polymers, and micromechanics can be used to homogenize those phases based on the overall polymer microstructure. In this study, MD modeling was used to predict the mechanical properties of the amorphous and crystalline phases of PEEK. The hierarchical microstructure of PEEK, which combines the aforementioned phases, was modeled using a multiscale modeling approach facilitated by NASA's MSGMC. The bulk mechanical properties of semi-crystalline PEEK predicted using MD modeling and MSGMC agree well with vendor data, thus validating the multiscale modeling approach.

Pisani, William A.↗
NASA NTRS1995

A Model for Particle Microphysics,Turbulent Mixing, and Radiative Transfer in the Stratocumulus-Topped Marine Boundary Layer and Comparisons with Measurements

A detailed 1D model of the stratocumulus-topped marine boundary layer is described. The model has three coupled components: a microphysics module that resolves the size distributions of aerosols and cloud droplets, a turbulence module that treats vertical mixing between layers, and a multiple wavelength radiative transfer module that calculates radiative heating rates and cloud optical properties. The results of a 12-h model simulation reproduce reasonably well the bulk thermodynamics, microphysical properties, and radiative fluxes measured in an approx. 500-m thick, summertime marine stratocumulus cloud layer by Nicholls. However, in this case, the model predictions of turbulent fluxes between the cloud and subcloud layers exceed the measurements. Results of model simulations are also compared to measurements of a marine stratus layer made under gate conditions and with measurements of a high, thin marine stratocumulus layer. The variations in cloud properties are generally reproduced by the model, although it underpredicts the entrainment of overlying air at cloud top under gale conditions. Sensitivities of the model results are explored. The vertical profile of cloud droplet concentration is sensitive to the lower size cutoff of the droplet size distribution due to the presence of unactivated haze particles in the lower region of the modeled cloud. Increases in total droplet concentrations do not always produce less drizzle and more cloud water in the model. The radius of the mean droplet volume does not correlate consistently with drizzle, but the effective droplet radius does. The greatest impacts on cloud properties predicted by the model are produced by halving the width of the size distribution of input condensation nuclei and by omitting the effect of cloud-top radiative cooling on the condensational growth of cloud droplets. The omission of infrared scattering produces noticeable changes in cloud properties. The collection efficiencies for droplets less than 30-micron radius, and the value of the accommodation coefficient for condensational droplet growth, have noticeable effects on cloud properties. The divergence of the horizontal wind also has a significant effect on a 12-h model simulation of cloud structure. Conclusions drawn from the model are tentative because of the limitations of the 1D model framework. A principal simplification is that the model assumes horizontal homogeneity, and, therefore, does not resolve updrafts and downdrafts. Likely consequences of this simplification include overprediction of the growth of droplets by condensation in the upper region of the cloud, underprediction of droplet condensational growth in the lower region of the cloud, and under-prediction of peak supersaturations.

Ackerman, Andrew S.↗
NASA NTRS1993

A unit-cell model of textile composite beams for predicting stiffness properties

Flexural stiffness properties of a textile composite beam are obtained from a finite-element model of the unit cell. Three linearly independent deformations, namely, pure extension, pure bending and pure shear, are applied to the unit cell. The top and bottom surfaces of the beam are assumed to be traction free. Periodic boundary conditions on the lateral boundaries of the unit cell are enforced by multi-point constraint elements. From the forces acting on the unit cell, the flexural stiffness coefficients of the composite beam are obtained. The difficulties in determining the transverse shear stiffness are discussed, and a modified approach is presented. The methods are first verified by applying them to isotropic and bimaterial beams for which the results are known, and then illustrated for a simple plain-weave textile composite.

Sankar, Bhavani V.↗
NASA NTRS1995

A Model for Particle Microphysics, Turbulent Mixing, and Radiative Transfer in the Stratocumulus-Topped Marine Boundary Layer and Comparisons with Measurements

A detailed 1D model of the stratocumulus-topped marine boundary layer is described. The model has three coupled components: a microphysics module that resolves the size distributions of aerosols and cloud droplets, a turbulence module that treats vertical mixing between layers, and a multiple wavelength radiative transfer module that calculates radiative heating rates and cloud optical properties. The results of a 12-h model simulation reproduce reasonably well the bulk thermodynamics, microphysical properties, and radiative fluxes measured in an approx. 500-m thick, summertime marine stratocumulus cloud layer by Nicholls. However, in this case, the model predictions of turbulent fluxes between the cloud and subcloud layers exceed the measurements. Results of model simulations are also compared to measurements of a marine stratus layer made under gale conditions and with measurements of a high, thin marine stratocumulus layer. The variations in cloud properties are generally reproduced by the model, although it underpredicts the entrainment of overlying air at cloud top under gale conditions. Sensitivities of the model results are explored. The vertical profile of cloud droplet concentration is sensitive to the lower size cutoff of the droplet size distribution due to the presence of unactivated haze particles in the lower region of the modeled cloud. Increases in total droplet concentrations do not always produce less drizzle and more cloud water in the model. The radius of the mean droplet volume does not correlate consistently with drizzle, but the effective droplet radius does. The greatest impacts on cloud properties predicted by the model are produced by halving the width of the size distribution of input condensation nuclei and by omitting the effect of cloud-top radiative cooling on the condensational growth of cloud droplets. The omission of infrared scattering produces noticeable changes in cloud properties. The collection efficiencies for droplets less than 30-micrometers radius, and the value of the accommodation coefficient for condensational droplet growth, have noticeable effects on cloud properties. The divergence of the horizontal wind also has a significant effect on a 12-h model simulation of cloud structure. Conclusions drawn from the model are tentative because of the limitations of the 1D model framework. A principal simplification is that the model assumes horizontal homogeneity, and, therefore, does not resolve updrafts and downdrafts. Likely consequences of this simplification include overprediction of the growth of droplets by condensation in the upper region of the cloud, underprediction of droplet condensational growth in the lower region of the cloud, and underprediction of peak supersaturations.

Ackerman, Andrew S.↗
NASA NTRS2023

An Ensemble Neural Network Model for Predicting Rare-Earth Oxide and Silicate Heat Capacities at High Temperature

In this work, a neural network model was developed to predict the constant pressure heat capacity for materials in the rare-earth oxide—silica material space. Several model architectures were trained and tested on heat capacity data generated from first-principles density functional theory calculations. Hyperparameter optimization was performed, and the optimal model was selected for heat capacity predictions. The optimal model architecture was found to have a root-mean-squared error of 5.12 ± 3.37 J/mol-K. The optimal model architecture was then used in a bagging ensemble model trained using the leave-one-group-out method to provide error estimates for model predictions. The out-of-bag score for the ensemble model was 0.997. The predicted heat capacities agree well with the DFT and experimental results and were computed orders of magnitude faster than DFT simulations. Machine learning shows the potential to provide a suitable surrogate model for thermochemical property predictions for candidate environmental barrier coating materials but refining of input material features and model architectures could further improve accuracy for these models.

environmental barrier coatings↗
NASA NTRS1990

A one-equation turbulence transport model for high Reynolds number wall-bounded flows

A one-equation turbulence model that avoids the need for an algebraic length scale is derived from a simplified form of the standard k-epsilon model equations. After calibration based on well established properties of the flow over a flat plate, predictions of several other flows are compared with experiment. The preliminary results presented indicate that the model has predictive and numerical properties of sufficient interest to merit further investigation and refinement. The one-equation model is also analyzed numerically and robust solution methods are presented.

Baldwin, Barrett S.↗
NASA NTRS1991

A one-equation turbulence transport model for high Reynolds number wall-bounded flows

A one-equation turbulence model that avoids the need for an algebraic length scale is derived from a simplified form of the standard-k-epsilon model equations. After calibration based on well established properties of the flow over a flat plate, predictions of several other flows are compared with experiment. The preliminary results presented indicate that the model has predictive and numerical properties of sufficient interest to merit further investigation and refinement. The one-equation model is also analyzed numerically and robust solution methods are presented.

Baldwin, Barrett S.↗
NASA NTRS2000

Plasticity and Kinky Chemistry of Carbon Nanotubes

Since their discovery in 1991, carbon nanotubes have been the subject of intense research interest based on early predictions of their unique mechanical, electronic, and chemical properties. Materials with the predicted unique properties of carbon nanotubes are of great interest for use in future generations of aerospace vehicles. For their structural properties, carbon nanotubes could be used as reinforcing fibers in ultralight multifunctional composites. For their electronic properties, carbon nanotubes offer the potential of very high-speed, low-power computing elements, high-density data storage, and unique sensors. In a continuing effort to model and predict the properties of carbon nanotubes, Ames accomplished three significant results during FY99. First, accurate values of the nanomechanics and plasticity of carbon nanotubes based on quantum molecular dynamics simulations were computed. Second, the concept of mechanical deformation catalyzed-kinky-chemistry as a means to control local chemistry of nanotubes was discovered. Third, the ease of nano-indentation of silicon surfaces with carbon nanotubes was established. The elastic response and plastic failure mechanisms of single-wall nanotubes were investigated by means of quantum molecular dynamics simulations.

Srivastava, Deepak↗
NASA NTRS2005

Advanced Ceramic Matrix Composites (CMCs) for High Temperature Applications

Advanced ceramic matrix composites (CMCs) are enabling materials for a number of demanding applications in aerospace, energy, and nuclear industries. In the aerospace systems, these materials are being considered for applications in hot sections of jet engines such as the combustor liner, vanes, nozzle components, nose cones, leading edges of reentry vehicles, and space propulsion components. Applications in the energy and environmental industries include radiant heater tubes, heat exchangers, heat recuperators, gas and diesel particulate filters, and components for land based turbines for power generation. These materials are also being considered for use in the first wall and blanket components of fusion reactors. In the last few years, a number of CMC components have been developed and successfully tested for various aerospace and ground based applications. However, a number of challenges still remain slowing the wide scale implementation of these materials. They include robust fabrication and manufacturing, assembly and integration, coatings, property modeling and life prediction, design codes and databases, repair and refurbishment, and cost. Fabrication of net and complex shape components with high density and tailorable matrix properties is quite expensive, and even then various desirable properties are not achievable. In this presentation, a number of examples of successful CMC component development and testing will be provided. In addition, critical need for robust manufacturing, joining and assembly technologies in successful implementation of these systems will be discussed.

Singh, M.↗
NASA NTRS1992

Comparison of micromechanical models for elastic properties

Results for the predicted effective elastic properties of unidirectional composites are presented for glass/epoxy and graphite/epoxy using eight different models. A brief review of each of the models is given along with the final equations in most cases. It is shown that there is wide variation in some predictions for glass/epoxy and that the upper and lower composite cylinder assemblage bounds do not always fall close together for this material.

Lissenden, Cliff J.↗
NASA NTRS1994

Comparison Of Models Of Metal-Matrix Composites

Report presents comparative review of four mathematical models of micromechanical behaviors of fiber/metal-matrix composite materials. Models differ in various details, all based on properties of fiber and matrix constituent materials, all involve square arrays of fibers continuous and parallel and all assume complete bonding between constituents. Computer programs implementing models used to predict properties and stress-vs.-strain behaviors of unidirectional- and cross-ply laminated composites made of boron fibers in aluminum matrices and silicon carbide fibers in titanium matrices. Stresses in fiber and matrix constituent materials also predicted.

Bigelow, C. A.↗
NASA NTRS1994

Idealized textile composites for experimental/analytical correlation

Textile composites are fiber reinforced materials produced by weaving, braiding, knitting, or stitching. These materials offer possible reductions in manufacturing costs compared to conventional laminated composites. Thus, they are attractive candidate materials for aircraft structures. To date, numerous experimental studies have been performed to characterize the mechanical performance of specific textile architectures. Since many materials and architectures are of interest, there is a need for analytical models to predict the mechanical properties of a specific textile composite material. Models of varying sophistication have been proposed based on mechanics of materials, classical laminated plate theory, and the finite element method. These modeling approaches assume an idealized textile architecture and generally consider a single unit cell. Due to randomness of the textile architectures produced using conventional processing techniques, experimental data obtained has been of limited use for verifying the accuracy of these analytical approaches. This research is focused on fabricating woven textile composites with highly aligned and accurately placed fiber tows that closely represent the idealized architectures assumed in analytical models. These idealized textile composites have been fabricated with three types of layer nesting configurations: stacked, diagonal, and split-span. Compression testing results have identified strength variations as a function of nesting. Moire interferometry experiments are being used to determine localized deformations for detailed correlation with model predictions.

Adams, Daniel O.↗
NASA NTRS1993

Origin of outflows and winds

Recent developments concerning the accretion-outflow connection and the role of magnetic fields are examined. It is argued that the weakly ionized wind most likely represents an MHD outflow driven centrifugally from the disk surfaces or from the boundary between the disk and the star. Specific wind models for each of these alternatives are presented, and it is contended that both provide a natural explanation of the observed correlation between accretion and outflow. The kinematic, thermal, and chemical wind properties predicted by these models are described and their observational implications are considered. It is suggested that the wind characteristics may be reflected in the observed forbidden line and IR continuum emission of T Tauri stars and in the measured abundances of various molecular species.

Koenigl, Arieh↗
NASA NTRS2018

Buckling Response of a Large-Scale, Seamless, Orthogrid-Stiffened Metallic Cylinder

Results from the buckling test of a compression-loaded 8-ft-diameter seamless (i.e., without manufacturing joints), orthogrid-stiffened metallic cylinder are presented. This test was used to assess the buckling response and imperfection sensitivity characteristics of a seamless cylinder. In addition, the test article and test served as a technology demonstration to show the application of the flow forming manufacturing process to build more efficient buckling-critical structures by eliminating the welded joints that are traditionally used in the manufacturing of large metallic barrels. Pretest predictions of the cylinder buckling response were obtained using a finite-element model that included measured geometric imperfections. The buckling load predicted using this model was 697,000 lb, and the test article buckled at 743,000 lb (6% higher). After the test, the model was revised to account for measured variations in skin and stiffener geometry, nonuniform loading, and material properties. The revised model predicted a buckling load of 754,000 lb, which is within 1.5% of the tested buckling load. In addition, it was determined that the load carrying capability of the seamless cylinder is approximately 28% greater than a corresponding cylinder with welded joints.

Rudd, Michelle Tillotson↗