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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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NASA NTRSDate not supplied

Quantum Mechanical Simulations of Dynamics of Electronic Excitations in Low-Dimensional Photovoltaics Materials

Dynamics of electronically excited states including exciton generation and relaxation, exciton-exciton interaction, and charge/energy transfer and transport, are critical to understanding and optimizing photovoltaic materials. Although considerable progress has been made, accurate experimental characterization of such crucial dynamics remains extremely challenging, especially in low-dimensional materials. In this talk, I will discuss how the advancement of quantum mechanical simulations of the dynamics of electronic excitations can reveal the physical mechanisms hindering or improving solar energy harvest. Specifically, we find that surface dangling-bond defects on silicon quantum dots cause rapid charge recombination and low carrier mobility in the inorganic-organic PV cells. Although small quantum dots are essentially free of defects, their optical gaps are too large. To solve this issue, a full-spectrum-light-absorption scheme is computationally designed, taking advantage of complexity and flexibility of low-dimensional materials consisting of different characteristics and dimensions. In this scheme the multifunctional ligands are used to (1) passivate against oxidation, (2) facilitate interfacial charge transfer, and (3) improve both charge transport and optical absorption. A joint theoretical and experimental study has demonstrated the feasibility of this approach. Finally, I will briefly talk about how this scheme and the well-tested quantum mechanical simulations can be employed to help improve energy-conversion efficiency in perovskite photovoltaics including perovskite-based tandem cells.

Zhigang Wu↗
NASA NTRS1990

Scattering properties of woven fibrous insulations - Effects of interference for normal incidence

This paper examines the scattering properties of woven fibrous materials in order to model the interactions between the scattered radiation from individual fibers. A normally incident plane electromagnetic wave is considered and different representative geometries are analyzed theoretically. Experimental results are presented for specific woven thermal insulation fabrics. Previous studies in the literature have mostly ignored the effect of constructive or destructive addition of scattered waves from individual fibers with the exception of the case of parallel fibers. Whereas the light-scattering characteristics of a single long fiber depend only on the size parameter and on the material optical constants, the additional mechanism of interference between the scattered waves from fibers of parallel or perpendicular orientation introduces an additional dependence on fiber locations. In this study, analytical models are developed for obtaining the radiative scattering characteristics of woven fibrous media taking into account the mechanism of interference. Experimental measurements of forward- and backward-scattered light from a woven silica cloth over a broad range of wavelengths in the infrared are obtained and compared with the predicted results for a system of two orthogonal families of infinite parallel fibers.

Kumar, Sunil↗
NASA NTRS1996

An Acoustic Emission and Acousto-Ultrasonic Analysis of Impact Damaged Composite Pressure Vessels

The research presented herein summarizes the development of acoustic emission (AE) and acousto-ultrasonic (AU) techniques for the nondestructive evaluation of filament wound composite pressure vessels. Vessels fabricated from both graphite and kevlar fibers with an epoxy matrix were examined prior to hydroburst using AU and during hydroburst using AE. A dead weight drop apparatus featuring both blunt and sharp impactor tips was utilized to produce a single known energy 'damage' level in each of the vessels so that the degree to which the effects of impact damage could be measured. The damage levels ranged from barely visible to obvious fiber breakage and delamination. Independent neural network burst pressure prediction models were developed from a sample of each fiber/resin material system. Here, the cumulative AE amplitude distribution data collected from low level proof test (25% of the expected burst for undamaged vessels) were used to measure the effects of the impact on the residual burst pressure of the vessels. The results of the AE/neural network model for the inert propellant filled graphite/epoxy vessels 'IM7/3501-6, IM7/977-2 and IM7/8553-45' demonstrated that burst pressures can be predicted from low level AE proof test data, yielding an average error of 5.0%. The trained network for the IM7/977-2 class vessels was also able to predict the expected burst pressure of taller vessels (three times longer hoop region length) constructed of the same material and using the same manufacturing technique, with an average error of 4.9%. To a lesser extent, the burst pressure prediction models could also measure the effects of impact damage to the kevlar/epoxy 'Kevlar 49/ DPL862' vessels. Here though, due to the higher attenuation of the material, an insufficient amount of AE amplitude information was collected to generate robust network models. Although, the worst case trial errors were less than 6%, when additional blind predictions were attempted, errors as high as 50% were produced. An acousto-ultrasonic robotic evaluation system (AURES) was developed for mapping the effects of damage on filament wound pressure vessels prior to hydroproof testing. The AURES injects a single broadband ultrasonic pulse into each vessel at preprogrammed positions and records the effects of the interaction of that pulse on the material volume with a broadband receiver. A stress wave factor in the form of the energy associated with the 750 to 1000 kHz and 1000 to 1250 kHz frequency bands were used to map the potential failure sites for each vessel. The energy map associated with the graphite/epoxy vessels was found to decrease in the region of the impact damage. The kevlar vessels showed the opposite trend, with the energy values increasing around the damage/failure sites.

Walker, James L.↗
NASA NTRS1977

Evaluation of the Tensor Polynomial and Hoffman strength theories for composite materials

The Hoffman theory and the Tensor Polynomial (Tsai-Wu) theory with the stress interaction term set equal to zero have been found to be preferred alternatives to the general Tensor Polynomial theory for predicting strength of filamentary composite laminae. These theories were used to predict failure of off-axis boron/epoxy and E-glass/epoxy test specimens and gave excellent agreement with available experimental results. A numerical experiment was also performed to estimate the errors for ten different composite systems under six different loadings. The maximum error in predicted failure loads among all cases was below 10 percent. These results suggest that the Hoffman failure theory and the Tensor Polynomial theory with the stress interaction term equal to zero can predict failure of practical filamentary composite materials under general biaxial loading with sufficient accuracy for engineering applications.

Narayanaswami, R.↗
NASA NTRS2012

Determining Wheel-Soil Interaction Loads Using a Meshfree Finite Element Approach Assisting Future Missions with Rover Wheel Design

A wheel experiencing sinkage and slippage events poses a high risk to rover missions as evidenced by recent mobility challenges on the Mars Exploration Rover (MER) project. Because several factors contribute to wheel sinkage and slippage conditions such as soil composition, large deformation soil behavior, wheel geometry, nonlinear contact forces, terrain irregularity, etc., there are significant benefits to modeling these events to a sufficient degree of complexity. For the purposes of modeling wheel sinkage and slippage at an engineering scale, meshfree finite element approaches enable simulations that capture sufficient detail of wheel-soil interaction while remaining computationally feasible. This study demonstrates some of the large deformation modeling capability of meshfree methods and the realistic solutions obtained by accounting for the soil material properties. A benchmark wheel-soil interaction problem is developed and analyzed using a specific class of meshfree methods called Reproducing Kernel Particle Method (RKPM). The benchmark problem is also analyzed using a commercially available finite element approach with Lagrangian meshing for comparison. RKPM results are comparable to classical pressure-sinkage terramechanics relationships proposed by Bekker-Wong. Pending experimental calibration by future work, the meshfree modeling technique will be a viable simulation tool for trade studies assisting rover wheel design.

Contreras, Michael T.↗
NASA NTRS2012

Effect of Surface Nonequilibrium Thermochemistry in Simulation of Carbon Based Ablators

This study demonstrates that coupling of a material thermal response code and a flow solver using finite-rate gas/surface interaction model provides time-accurate solutions for multidimensional ablation of carbon based charring ablators. The material thermal response code used in this study is the Two-dimensional Implicit Thermal Response and Ablation Program (TITAN), which predicts charring material thermal response and shape change on hypersonic space vehicles. Its governing equations include total energy balance, pyrolysis gas momentum conservation, and a three-component decomposition model. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation (DPLR) method. Loose coupling between material response and flow codes is performed by solving the surface mass balance in DPLR and the surface energy balance in TITAN. Thus, the material surface recession is predicted by finite-rate gas/surface interaction boundary conditions implemented in DPLR, and the surface temperature and pyrolysis gas injection rate are computed in TITAN. Two sets of gas/surface interaction chemistry between air and carbon surface developed by Park and Zhluktov, respectively, are studied. Coupled fluid-material response analyses of stagnation tests conducted in NASA Ames Research Center arc-jet facilities are considered. The ablating material used in these arc-jet tests was a Phenolic Impregnated Carbon Ablator (PICA). Computational predictions of in-depth material thermal response and surface recession are compared with the experimental measurements for stagnation cold wall heat flux ranging from 107 to 1100 Watts per square centimeter.

Chen, Yih-Kang↗
NASA NTRS2005

Carbon nanotubes and nanowires for biological sensing

This chapter reviews the recent development in biological sensing using nanotechnologies based on carbon nanotubes and various nanowires. These 1D materials have shown unique properties that are efficient in interacting with biomolecules of similar dimensions, i.e., on a nanometer scale. Various aspects including synthesis, materials properties, device fabrication, biofunctionalization, and biological sensing applications of such materials are reviewed. The potential of such integrated nanobiosensors in providing ultrahigh sensitivity, fast response, and high-degree multiplex detection, yet with minimum sample requirements is demonstrated. This chapter is intended to provide comprehensive updated information for people from a variety of backgrounds but with common interests in the fast-moving interdisciplinary field of nanobiotechnology.

Review↗
NASA NTRS1978

Energetic secondary electrons and the nonthermal galactic radio background - A probe of the magnetic field in interstellar clouds

A previous analysis of the manifestations of charged-pion-decay secondary electrons in interstellar cloud material is extended to include those contributions to the Galactic radio and soft gamma-ray backgrounds that are directly attributable to energetic secondaries. The equilibrium distribution of secondary electrons in dense interstellar clouds is calculated, synchrotron emissivity from isolated interstellar clouds is examined, and it is shown how the value of the magnetic field in these clouds may be determined by observing the radio emission in their directions. The contribution that such clouds make to the integrated radio background is evaluated, and the Galactic distribution of bremsstrahlung gamma rays that arise from interactions of secondary electrons with thermal material in dense clouds is computed. The results indicate that a magnetic field of no more than 80 microgauss is characteristic of dense clouds and that the integrated synchrotron radiation from secondary electrons in interstellar clouds will contribute a significant fraction of the nonthermal brightness along the Galactic equator even if the mean cloud field is as low as 35 microgauss.

Marscher, A. P.↗
NASA NTRS1977

Space processing on Skylab and ASTP

The Skylab and Apollo Soyuz Test Project (ASTP) missions provided the opportunity the influence of micro-gravity on the processing of various materials. The results of physical and engineering experiments in metallurgy, fluids handling and crystal growth on two space missions are discussed. The majority of the experiments concern the solidification of alloys, semiconductors, and composite materials or basic liquid-liquid and solid-liquid interactions necessary to understand complex processing. Potential advantages of space processing to several materials disciplines are identified.

Snyder, R. S.↗
NASA NTRS1999

Application of Novel Nonlinear Optical Materials to Optical Processing

We describe wave mixing and interactions in nonlinear photorefractive polymers and disodium flourescein. Higher diffracted orders yielding forward phase conjugation can be generated in a two-wave mixing geometry in photorefractive polymers, and this higher order can be used for image edge enhancement and correlation. Four-wave mixing and phase conjugation is studied using nonlinear disodium floureschein, and the nature and properties of gratings written in this material are investigated.

Banerjee, Partha P.↗
NASA NTRS2012

Effect of Non-Equilibrium Surface Thermochemistry in Simulation of Carbon Based Ablators

This study demonstrates that coupling of a material thermal response code and a flow solver using non-equilibrium gas/surface interaction model provides time-accurate solutions for the multidimensional ablation of carbon based charring ablators. The material thermal response code used in this study is the Two-dimensional Implicit Thermal-response and AblatioN Program (TITAN), which predicts charring material thermal response and shape change on hypersonic space vehicles. Its governing equations include total energy balance, pyrolysis gas mass conservation, and a three-component decomposition model. The flow code solves the reacting Navier-Stokes equations using Data Parallel Line Relaxation (DPLR) method. Loose coupling between the material response and flow codes is performed by solving the surface mass balance in DPLR and the surface energy balance in TITAN. Thus, the material surface recession is predicted by finite-rate gas/surface interaction boundary conditions implemented in DPLR, and the surface temperature and pyrolysis gas injection rate are computed in TITAN. Two sets of nonequilibrium gas/surface interaction chemistry between air and the carbon surface developed by Park and Zhluktov, respectively, are studied. Coupled fluid-material response analyses of stagnation tests conducted in NASA Ames Research Center arc-jet facilities are considered. The ablating material used in these arc-jet tests was Phenolic Impregnated Carbon Ablator (PICA). Computational predictions of in-depth material thermal response and surface recession are compared with the experimental measurements for stagnation cold wall heat flux ranging from 107 to 1100 Watts per square centimeter.

Chen, Yih-Kanq↗
NASA NTRS1984

Future Direction of Research in Wear and Wear Resistant Materials. Status of Understanding

The adhesion of materials is one of the most popular interactions occuring between mating solid surfaces in contact, and was regarded as a key factor in wear process. However, because the adhesion is not a separation factor but a joining factor for mating materials, it is not easy to show a general plot of the formation process of wear particle through adhesion. A new idea on the mechanism of formation of wear particles in adhesive wear is shown. The wear particles are not separated from their mother surfaces directly as their final form, but minute adhered fragments are assembled and piled up to form a big particle which should be called as a wear particle after it is removed out of the rubbing system. From this proposed mechanism many other phenomena related to wear are interpreted.

Sasada, T.↗
NASA NTRS2023

In Situ Sensors for Monitoring the Space Environment and Its Effect Upon Satellite Materials

Development of advanced materials for space requires both an understanding of the space environment and how a material might be affected by the environment. Despite a long history of space missions, we have insufficient knowledge to fully characterize the exposure that spacecraft materials experience over a mission lifetime, much less the effects that this exposure induces upon spacecraft materials. In addition, the physics of materials/environment interactions is less well understood than optimum owing to the complex nature of the space environment and the challenges in simulating this environment in the laboratory. Our understanding of both the environment and materials behavior in that environment would be advanced by the development of sensors that could be deployed on a variety of missions and collect sufficient data. In-situ environmental sensors would improve both our understanding of spacecraft materials environmental durability and lead to improved ground-laboratory investigations. There are a number of factors that have limited the development of a widespread network of space environmental sensors intended to fill this need. The cost of deploying space systems generally encourages system designers to minimize any functionality that is extraneous to the main mission of a space vehicle. Deploying additional sensors adds cost, size, weight, power and telemetry bandwidth that could interfere with mission goals. The complexity of the space environment makes it challenging to manufacture a sensor that provides a complete characterization of its environment, especially with a limited impact upon the host. Finally, such a hosted sensor could impact the security or reliability of the main mission.

Jim Barrie↗
NASA NTRS1989

Atomic oxygen effects on materials

Understanding of the basic processes of atomic oxygen interaction is currently at a very elementary level. However, measurement of erosion yields, surface morphology, and optical properties for low fluences have brought about much progress in the past decade. Understanding the mechanisms and those factors that are important for proper simulation of low Earth orbit is at a much lower level of understanding. The ability to use laboratory simulations with confidence to quantifiably address the functional performance and durability of materials in low Earth orbit will be necessary to assure long-term survivability to the natural space environment.

Banks, Bruce A.↗
NASA NTRS1995

Durability and life prediction modeling in polyimide composites

Sudden appearance of cracks on a macroscopically smooth surface of brittle materials due to cooling or drying shrinkage is a phenomenon related to many engineering problems. Although conventional strength theories can be used to predict the necessary condition for crack appearance, they are unable to predict crack spacing and depth. On the other hand, fracture mechanics theory can only study the behavior of existing cracks. The theory of crack initiation can be summarized into three conditions, which is a combination of a strength criterion and laws of energy conservation, the average crack spacing and depth can thus be determined. The problem of crack initiation from the surface of an elastic half plane is solved and compares quite well with available experimental evidence. The theory of crack initiation is also applied to concrete pavements. The influence of cracking is modeled by the additional compliance according to Okamura's method. The theoretical prediction by this structural mechanics type of model correlates very well with the field observation. The model may serve as a theoretical foundation for future pavement joint design. The initiation of interactive cracks of quasi-brittle material is studied based on a theory of cohesive crack model. These cracks may grow simultaneously, or some of them may close during certain stages. The concept of crack unloading of cohesive crack model is proposed. The critical behavior (crack bifurcation, maximum loads) of the cohesive crack model are characterized by rate equations. The post-critical behavior of crack initiation is also studied.

Binienda, Wieslaw K.↗
NASA NTRS2001

Multifunctional Collaborative Modeling and Analysis Methods in Engineering Science

Engineers are challenged to produce better designs in less time and for less cost. Hence, to investigate novel and revolutionary design concepts, accurate, high-fidelity results must be assimilated rapidly into the design, analysis, and simulation process. This assimilation should consider diverse mathematical modeling and multi-discipline interactions necessitated by concepts exploiting advanced materials and structures. Integrated high-fidelity methods with diverse engineering applications provide the enabling technologies to assimilate these high-fidelity, multi-disciplinary results rapidly at an early stage in the design. These integrated methods must be multifunctional, collaborative, and applicable to the general field of engineering science and mechanics. Multifunctional methodologies and analysis procedures are formulated for interfacing diverse subdomain idealizations including multi-fidelity modeling methods and multi-discipline analysis methods. These methods, based on the method of weighted residuals, ensure accurate compatibility of primary and secondary variables across the subdomain interfaces. Methods are developed using diverse mathematical modeling (i.e., finite difference and finite element methods) and multi-fidelity modeling among the subdomains. Several benchmark scalar-field and vector-field problems in engineering science are presented with extensions to multidisciplinary problems. Results for all problems presented are in overall good agreement with the exact analytical solution or the reference numerical solution. Based on the results, the integrated modeling approach using the finite element method for multi-fidelity discretization among the subdomains is identified as most robust. The multiple-method approach is advantageous when interfacing diverse disciplines in which each of the method's strengths are utilized. The multifunctional methodology presented provides an effective mechanism by which domains with diverse idealizations are interfaced. This capability rapidly provides the high-fidelity results needed in the early design phase. Moreover, the capability is applicable to the general field of engineering science and mechanics. Hence, it provides a collaborative capability that accounts for interactions among engineering analysis methods.

Ransom, Jonathan B.↗
NASA NTRS1981

NASA LeRC/Akron University Graduate Cooperative Fellowship Program and Graduate Student Researchers Program

The requisite methodology to solve linear and nonlinear problems associated with the static and dynamic analysis of rotating machinery, their static and dynamic behavior, and the interaction between the rotating and nonrotating parts of an engine is developed. Linear and nonlinear structural engine problems are investigated by developing solution strategies and interactive computational methods whereby the man and computer can communicate directly in making analysis decisions. Representative examples include modifying structural models, changing material, parameters, selecting analysis options and coupling with interactive graphical display for pre- and postprocessing capability.

Fertis, D. G.↗