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At least 73 records · Page 4

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NASA NTRS1992

Asymmetric tip morphology of creep microcracks growing along bimaterial interfaces

The asymmetric tip morphology of a creep microcrack propagating along a bimaterial interface is presented based on the assumptions that the near-tip shapes are developed from surface diffusion controlled crack growth and that a steady state prevails. A single master curve still can adequately describe the near-tip shapes to within 6 percent accuracy, but four cases of crack-tip morphology emerge depending on the ratios of surface to interfacial free energy and diffusivity of the adjoining phases. For fixed ratios of the two surface diffusivities, crack tip morphology maps in the space of specific surface energies are constructed with which areas associated with each individual case are indicated. Predicted cases on a set of bimaterial systems are tabulated and discussed.

Chuang, Tze-Jer↗

NASA NTRS2003

Combustion Of Moving Droplets And Of Droplets Suspended Within A Convective Environment: Transient Numerical Results

The problem considered is that of a single-component liquid fuel (n-heptane) droplet undergoing evaporation and combustion in a hot, convective, low pressure, zero-gravity environment of infinite expanse. For a moving droplet, the relative velocity (U(sub infinity)) between the droplet and freestream is subject to change due to the influence of the drag force on the droplet. For a suspended droplet, the relative velocity is kept constant. The governing equations for the gas-phase and the liquid-phase consist of the unsteady, axisymmetric equations of mass, momentum, species (gas-phase only) and energy conservation. Interfacial conservation equations are employed to couple the two phases. Variable properties are used in the gas- and liquid-phase. Multicomponent diffusion in the gas-phase is accounted for by solving the Stefan-Maxwell equations for the species diffusion velocities. A one-step overall reaction is used to model the combustion. The governing equations are discretized using the finite volume and SIMPLEC methods. A colocated grid is adopted. Hyperbolic tangent stretching functions are used to concentrate grid points near the fore and aft lines of symmetry and at the droplet surface in both the gas- and liquid-phase. The discretization equations are solved using the ADI method with the TDMA used on each line of the two alternating directions. Iterations are performed within each time-step until convergence is achieved. The grid spacing, size of the computational domain and time-step were tested to ensure that all solutions are independent of these parameters. A detailed discussion of the numerical model is given.

Gogos, George↗

NASA NTRS1990

A numerical method for phase-change problems

A highly accurate and efficient finite-difference method for phase-change problems with multiple moving boundaries of irregular shape is developed by employing a coordinate transformation that immobilizes moving boundaries and preserves the conservative forms of the original governing equations. The numerical method is first presented for one-dimensional phase-change problems (involving large density variation between phases, heat generation, and multiple moving boundaries) and then extended to solve two-dimensional problems (without change of densities between phases). Numerical solutions are obtained non-iteratively using an explicit treatment of the interfacial mass and energy balances and an implicit treatment of the temperature field equations. The accuracy and flexibility of the present numerical method are verified by solving some phase-change problems and comparing the results with existing analytical, semi-analytical and numerical solutions. Results indicate that one- and two-dimensional phase-change problems can be handled easily with excellent accuracies.

Kim, Charn-Jung↗

NASA NTRS2006

Compositional Pathways and Capillary Effects during Early-stage Isothermal Precipitation in a Nondilute Ni-Al-Cr Alloy

For a Ni-5.2 Al-14.2 Cr at.% alloy with moderate solute supersaturations, the compositional pathways, as measured with atom-probe tomography, during early to later stage y'(LI2)-precipitation (R = 0.45-10 nm), aged at 873 K, are discussed in light of a multi-component coarsening model. Employing nondilute thermodynamics, detailed model analyses during quasistationary coarsening of the experimental data establish that the y/y' interfacial free-energy is 22- 23+/-7 mJ/sq m. Additionally, solute diffusivities are significantly slower than model estimates. Strong quantitative evidence indicates that an observed y'-supersaturation of Al results from the Gibbs-Thomson effect, providing the first experimental verification of this phenomenon. The Gibbs-Thomson relationship, for a ternary system, as well as differences in measured phase equilibria with CALPHAD assessments, are considered in great detail.

Sudbrack, Chantal K.↗

NASA NTRS2017

Constitutive Modeling of the Facesheet to Core Interface in Honeycomb Sandwich Panels Subject to Mode I Delamination

A new cohesive zone traction-separation law, which includes the effects of fiber bridging, has been developed, implemented with a finite element (FE) model, and applied to simulate the delamination between the facesheet and core of a composite honeycomb sandwich panel. The proposed traction-separation law includes a standard initial cohesive component, which accounts for the initial interfacial stiffness and energy release rate, along with a new component to account for the fiber bridging contribution to the delamination process. Single cantilever beam tests on aluminum honeycomb sandwich panels with carbon fiber reinforced polymer facesheets were used to characterize and evaluate the new formulation and its finite element implementation. These tests, designed to evaluate the mode I toughness of the facesheet to core interface, exhibited significant fiber bridging and large crack process zones, giving rise to a concave downward concave upward pre-peak shape in the load-displacement curve. Unlike standard cohesive formulations, the proposed formulation captures this observed shape, and its results have been shown to be in excellent quantitative agreement with experimental load-displacement and apparent critical energy release rate results, representative of a payload fairing structure, as well as local strain fields measured with digital image correlation.

composites↗

NASA NTRS1991

Variational mechanics analysis of the stresses in microdrop debond specimens

A recently derived variational mechanics analysis of stresses in single-fiber model composites has been applied to the analysis of the stresses in the microdrop debond specimen. The new analysis is more accurate than the commonly applied shear-lag or elastic-plastic analyses. The results from a sample stress state calculation suggest that interfacial failure between the fiber and the microdrop is by mode I or opening mode failure at the beginning of the microdrop. The opening mode failure is caused by a large tensile radial stress at the fiber/matrix interface. Previous analyses of microdrop debond data have been in terms of a shear strength. It is suggested that these analyses misrepresent microdrop debond results and recommend instead a failure analysis based on energy release rate and interfacial fracture toughness. A procedure for calculating the energy release rate for the growth of an interfacial crack is described.

Scheer, Robert J.↗

NASA NTRS1997

Redox chemistry at liquid/liquid interfaces

The interface between two immiscible liquids with immobilized photosynthetic pigments can serve as the simplest model of a biological membrane convenient for the investigation of photoprocesses accompanied by spatial separation of charges. As it follows from thermodynamics, if the resolvation energies of substrates and products are very different, the interface between two immiscible liquids may act as a catalyst. Theoretical aspects of charge transfer reactions at oil/water interfaces are discussed. Conditions under which the free energy of activation of the interfacial reaction of electron transfer decreases are established. The activation energy of electron transfer depends on the charges of the reactants and dielectric permittivity of the non-aqueous phase. This can be useful when choosing a pair of immiscible solvents to decrease the activation energy of the reaction in question or to inhibit an undesired process. Experimental interfacial catalytic systems are discussed. Amphiphilic molecules such as chlorophyll or porphyrins were studied as catalysts of electron transfer reactions at the oil/water interface.

Non-NASA Center↗

NASA NTRS2001

Room Temperature Creep Of SiC/SiC Composites

During a recent experimental study, time dependent deformation was observed for a damaged Hi-Nicalon reinforced, BN interphase, chemically vapor infiltrated SiC matrix composites subjected to static loading at room temperature. The static load curves resembled primary creep curves. In addition, acoustic emission was monitored during the test and significant AE activity was recorded while maintaining a constant load, which suggested matrix cracking or interfacial sliding. For similar composites with carbon interphases, little or no time dependent deformation was observed. Evidently, exposure of the BN interphase to the ambient environment resulted in a reduction in the interfacial mechanical properties, i.e. interfacial shear strength and/or debond energy. These results were in qualitative agreement with observations made by Eldridge of a reduction in interfacial shear stress with time at room temperature as measured by fiber push-in experiments.

Morscher, Gregory N.↗

NASA NTRS1985

Cell Partition in Two Polymer Aqueous Phases

In a reduced gravity environment the two polymer phases will not separate via density driven settling in an acceptably short length of time. It is to be expected that a certain amount of phase separation will take place, however, driven by the reduction in free energy gained when the interfacial area is reduced. This stage of separation process will therefore depend directly on the magnitude of the interfacial tension between the phases. In order to induce complete phase separation in a short time, electric field-induced separation which occurs because the droplets of one phase in the other have high electrophoretic mobilities which increase with droplet size was investigated. These mobilities are significant only in the presence of certain salts, particularly phosphates. The presence of such salts, in turn has a strong effect on the cell partition behavior in dextran-poly (ethylene glycol) (PEG) systems. The addition of the salts necessary to produce phase drop mobilities has a large effect on the interfacial tensions in the systems.

Brooks, D. E.↗

NASA NTRS1985

Delamination and debonding of materials

The general topics consist of stress analysis, mechanical behavior, and fractography/NDI of composite laminates. Papers are presented on a dynamic hybrid finite-element analysis for interfacial cracks in composites, energy release rate during delamination crack growth in composite laminates, matrix deformation and fracture in graphite-reinforced epoxies, and the role of delamination and damage development on the strength of thick notched laminates. In addition, consideration is given to a new ply model for interlaminar stress analysis, a fracture mechanics approach for designing adhesively bonded joints, the analysis of local delaminations and their influence on composite laminate behavior, and moisture and temperature effects on the mixed-mode delamination fracture of unidirectional graphite/epoxy.

Johnson, W. S.↗

NASA NTRS1997

Interactions of anesthetics with the water-hexane interface. A molecular dynamics study

The free energy profiles characterizing the transfer of nine solutes across the liquid-vapor interfaces of water and hexane and across the water-hexane interface were calculated from molecular dynamics simulations. Among the solutes were n-butane and three of its halogenated derivatives, as well as three halogenated cyclobutanes. The two remaining molecules, dichlorodifluoromethane and 1,2-dichloroperfluoroethane, belong to series of halo-substituted methanes and ethanes, described in previous studies (J. Chem. Phys. 1996, 104, 3760; Chem. Phys. 1996, 204, 337). Each series of molecules contains structurally similar compounds that differ greatly in anesthetic potency. The accuracy of the simulations was tested by comparing the calculated and the experimental free energies of solvation of all nine compounds in water and in hexane. In addition. the calculated and the measured surface excess concentrations of n-butane at the water liquid-vapor interface were compared. In all cases, good agreement with experimental results was found. At the water-hexane interface, the free energy profiles for polar molecules exhibited significant interfacial minima, whereas the profiles for nonpolar molecules did not. The existence of these minima was interpreted in terms of a balance between the free energy contribution arising from solute-solvent interactions and the work to form a cavity that accommodates the solute. These two contributions change monotonically, but oppositely, across the interface. The interfacial solubilities of the solutes, obtained from the free energy profiles, correlate very well with their anesthetic potencies. This is the case even when the Meyer-Overton hypothesis, which predicts a correlation between anesthetic potency and solubility in oil, fails.

NASA Center ARC↗

NASA NTRS1992

Phase-field model for isothermal phase transitions in binary alloys

A new phase field model is described which models isothermal phase transitions between ideal binary alloy solution phases. Equations are developed for the temporal and spatial variation of the phase field, which describes the identity of the phase, and of the composition. An asymptotic analysis, as the gradient energy coefficient of the phase field becomes small, was conducted. From the analysis, it is shown that the model recovers classical sharp interface models of this situation when the interfacial layers are thin, and they show how to relate the parameters appearing in the phase field model to material and growth parameters in real systems. Further, three stages of temporal evolution are identified: the first corresponding to interfacial genesis which occurs very rapidly; the second to interfacial motion controlled by the local energy difference across the interface and diffusion; the last taking place on a long time scale in which curvature effects are important and which correspond to Ostwald ripening. The results of the numerical calculations are presented.

Wheeler, A. A.↗

NASA NTRS1989

Fundamentals of tribology at the atomic level

Tribology, the science and engineering of solid surfaces in moving contact, is a field that encompasses many disciplines: solid state physics, chemistry, materials science, and mechanical engineering. In spite of the practical importance and maturity of the field, the fundamental understanding of basic phenomena has only recently been attacked. An attempt to define some of these problems and indicate some profitable directions for future research is presented. There are three broad classifications: (1) fluid properties (compression, rheology, additives and particulates); (2) material properties of the solids (deformation, defect formation and energy loss mechanisms); and (3) interfacial properties (adhesion, friction chemical reactions, and boundary films). Research in the categories has traditionally been approached by considering macroscopic material properties. Recent activity has shown that some issues can be approached at the atomic level: the atoms in the materials can be manipulated both experimentally and theoretically, and can produce results related to macroscopic phenomena.

Ferrante, John↗

NASA NTRS2004

Thermocapillary migration of a drop: an exact solution with Newtonian interfacial rheology and stretching/shrinkage of interfacial area elements for small Marangoni numbers

In this paper we analyze the effects of the following phenomena associated with the thermocapillary migration of a drop. The first is the influence of Newtonian surface rheology of the interface and the second is that of the energy changes associated with stretching and shrinkage of the interfacial area elements, when the drop is in motion. The former occurs because of dissipative processes in the interfacial region, such as when surfactant molecules are adsorbed at the interface in sufficient concentration. The interface is typically modeled in this instance by ascribing to it a surface viscosity. This is a different effect from that of interfacial tension gradients arising from surfactant concentration gradients. The stretching and shrinkage of interfacial area elements leads to changes in the internal energy of these elements that affects the transport of energy in the fluids adjoining the interface. When an element on the interface is stretched, its internal energy increases because of the increase in its area. This energy is supplied by the neighboring fluids that are cooled as a consequence. Conversely, when an element on the interface shrinks, the adjoining fluids are warmed. In the case of a moving drop, elements of interfacial area are stretched in the forward half of the drop, and are shrunk in the rear half. Consequently, the temperature variation on the surface of the drop and its migration speed are modified. The analysis of the motion of a drop including these effects was first performed by LeVan in 1981, in the limit when convective transport of momentum and energy are negligible. We extend the analysis of LeVan to include the convective transport of momentum by demonstrating that an exact solution of the momentum equation is obtained for an arbitrary value of the Reynolds number. This solution is then used to calculate the slightly deformed shape of the drop from a sphere.

Rheology/methods↗

NASA NTRS1991

Adhesion at metal interfaces

A basic adhesion process is defined, the theory of the properties influencing metallic adhesion is outlined, and theoretical approaches to the interface problem are presented, with emphasis on first-principle calculations as well as jellium-model calculations. The computation of the energies of adhesion as a function of the interfacial separation is performed; fully three-dimensional calculations are presented, and universality in the shapes of the binding energy curves is considered. An embedded-atom method and equivalent-crystal theory are covered in the framework of issues involved in practical adhesion.

Banerjea, Amitava↗

NASA NTRS2016

Li-Doped Ionic Liquid Electrolytes: From Bulk Phase to Interfacial Behavior

Ionic liquids have been proposed as candidate electrolytes for high-energy density, rechargeable batteries. We present an extensive computational analysis supported by experimental comparisons of the bulk and interfacial properties of a representative set of these electrolytes as a function of Li-salt doping. We begin by investigating the bulk electrolyte using quantum chemistry and ab initio molecular dynamics to elucidate the solvation structure of Li(+). MD simulations using the polarizable force field of Borodin and coworkers were then performed, from which we obtain an array of thermodynamic and transport properties. Excellent agreement is found with experiments for diffusion, ionic conductivity, and viscosity. Combining MD simulations with electronic structure computations, we computed the electrochemical window of the electrolytes across a range of Li(+)-doping levels and comment on the role of the liquid environment. Finally, we performed a suite of simulations of these Li-doped electrolytes at ideal electrified interfaces to evaluate the differential capacitance and the equilibrium Li(+) distribution in the double layer. The magnitude of differential capacitance is in good agreement with our experiments and exhibits the characteristic camel-shaped profile. In addition, the simulations reveal Li(+) to be highly localized to the second molecular layer of the double layer, which is supported by additional computations that find this layer to be a free energy minimum with respect to Li(+) translation.

molecular dynamics↗

NASA NTRS1989

Recent advances in engineering science; Proceedings of the A. Cemal Eringen Symposium, University of California, Berkeley, June 20-22, 1988

Various papers on recent advances in engineering science are presented. Some individual topics addressed include: advances in adaptive methods in computational fluid mechanics, mixtures of two medicomorphic materials, computer tests of rubber elasticity, shear bands in isotropic micropolar elastic materials, nonlinear surface wave and resonator effects in magnetostrictive crystals, simulation of electrically enhanced fibrous filtration, plasticity theory of granular materials, dynamics of viscoelastic media with internal oscillators, postcritical behavior of a cantilever bar, boundary value problems in nonlocal elasticity, stability of flexible structures with random parameters, electromagnetic tornadoes in earth's ionosphere and magnetosphere, helicity fluctuations and the energy cascade in turbulence, mechanics of interfacial zones in bonded materials, propagation of a normal shock in a varying area duct, analytical mechanics of fracture and fatigue.

Koh, Severino L.↗

NASA NTRS2021

Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes

To understand and control key electrochemical processes - metal plating, corrosion, intercalation, etc. requires molecular-scale details of the active species at electrochemical interfaces and their mechanisms for de-solvation from the electrolyte. Using free energy sampling techniques we reveal the interfacial speciation of divalent cations in ether-based electrolytes and mechanisms for their delivery to an inert graphene electrode interface. Surprisingly, we find that anion solvophobicity drives a high population of anion-containing species to the interface that facilitate the delivery of divalent cations, even to negatively charged electrodes. Our simulations indicate that cation desolvation is greatly facilitated by cation-anion coupling. We propose anion solvophobicity as a molecular-level descriptor for rational design of electrolytes with increased efficiency for electrochemical processes limited by multivalent cation desolvation.

Electrochemical interfaces↗