Interfacial wave theory for dendritic structure of a growing needle crystal. I - Local instability mechanism. II - Wave-emission mechanism at the turning point

NASA Technical Reports Server (NTRS)

Xu, Jian-Jun

1989-01-01

The complicated dendritic structure of a growing needle crystal is studied on the basis of global interfacial wave theory. The local dispersion relation for normal modes is derived in a paraboloidal coordinate system using the multiple-variable-expansion method. It is shown that the global solution in a dendrite growth process incorporates the morphological instability factor and the traveling wave factor.

Quantifying the Pathway and Predicting Spontaneous Emulsification during Material Exchange in a Two Phase Liquid System.

PubMed

Spooner, Stephen; Rahnama, Alireza; Warnett, Jason M; Williams, Mark A; Li, Zushu; Sridhar, Seetharaman

2017-10-30

Kinetic restriction of a thermodynamically favourable equilibrium is a common theme in materials processing. The interfacial instability in systems where rate of material exchange is far greater than the mass transfer through respective bulk phases is of specific interest when tracking the transient interfacial area, a parameter integral to short processing times for productivity streamlining in all manufacturing where interfacial reaction occurs. This is even more pertinent in high-temperature systems for energy and cost savings. Here the quantified physical pathway of interfacial area change due to material exchange in liquid metal-molten oxide systems is presented. In addition the predicted growth regime and emulsification behaviour in relation to interfacial tension as modelled using phase-field methodology is shown. The observed in-situ emulsification behaviour links quantitatively the geometry of perturbations as a validation method for the development of simulating the phenomena. Thus a method is presented to both predict and engineer the formation of micro emulsions to a desired specification.

Observation of Pull-in Instability in Graphene Membranes under Interfacial Forces

NASA Astrophysics Data System (ADS)

Liu, Xinghui; Boddeti, Narasimha; Szpunar, Mariah; Wang, Luda; Rodriguez, Miguel; Long, Rong; Xiao, Jianliang; Dunn, Martin; Bunch, Scott; Jianliang Xiao'S Collaboration; Scott Bunch's Team; Martin Dunn's Team

2014-03-01

We present a unique experimental configuration that allows us to determine the interfacial forces on nearly parallel plates made from single and few layer graphene membranes. Our approach consists of using a pressure difference across a graphene membrane to bring the membrane to within ~ 10-20 nm above a circular post covered with SiOx or Au until a critical point is reached whereby the membrane snaps into adhesive contact with the post. Continuous measurements of the deforming membrane with an AFM coupled with a theoretical model allow us to deduce the magnitude of the interfacial forces between graphene and SiOx and graphene and Au. The nature of the interfacial forces at ~ 10 - 20 nm separations is consistent with an inverse fourth power distance dependence, implying that the interfacial forces are dominated by van der Waals interactions. Furthermore, the strength of the interactions is found to increase linearly with the number of graphene layers. The experimental approach can be applied to measure the strength of the interfacial forces for other emerging atomically thin two-dimensional materials.

Theoretical modeling of CHF for near-saturated pool boiling and flow boiling from short heaters using the interfacial lift-off criterion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mudawar, I.; Galloway, J.E.; Gersey, C.O.

Pool boiling and flow boiling were examined for near-saturated bulk conditions in order to determine the critical heat flux (CHF) trigger mechanism for each. Photographic studies of the wall region revealed features common to both situations. At fluxes below CHF, the vapor coalesces into a wavy layer which permits wetting only in wetting fronts, the portions of the liquid-vapor interface which contact the wall as a result of the interfacial waviness. Close examination of the interfacial features revealed the waves are generated from the lower edge of the heater in pool boiling and the heater`s upstream region in flow boiling.more » Wavelengths follow predictions based upon the Kelvin-Helmholtz instability criterion. Critical heat flux in both cases occurs when the pressure force exerted upon the interface due to interfacial curvature, which tends to preserve interfacial contact with the wall prior to CHF, is overcome by the momentum of vapor at the site of the first wetting front, causing the interface to lift away from the wall. It is shown this interfacial lift-off criterion facilitates accurate theoretical modeling of CHF in pool boiling and in flow boiling in both straight and curved channels.« less

Classification of instability modes in a model of aluminium reduction cells with a uniform magnetic field

NASA Astrophysics Data System (ADS)

Molokov, Sergei; El, Gennady; Lukyanov, Alexander

2011-10-01

A unified view on the interfacial instability in a model of aluminium reduction cells in the presence of a uniform, vertical, background magnetic field is presented. The classification of instability modes is based on the asymptotic theory for high values of parameter β, which characterises the ratio of the Lorentz force based on the disturbance current, and gravity. It is shown that the spectrum of the travelling waves consists of two parts independent of the horizontal cross-section of the cell: highly unstable wall modes and stable or weakly unstable centre, or Sele's modes. The wall modes with the disturbance of the interface being localised at the sidewalls of the cell dominate the dynamics of instability. Sele's modes are characterised by a distributed disturbance over the whole horizontal extent of the cell. As β increases these modes are stabilized by the field.

Electrokinetic instability in microchannel ferrofluid/water co-flows

PubMed Central

Song, Le; Yu, Liandong; Zhou, Yilong; Antao, Asher Reginald; Prabhakaran, Rama Aravind; Xuan, Xiangchun

2017-01-01

Electrokinetic instability refers to unstable electric field-driven disturbance to fluid flows, which can be harnessed to promote mixing for various electrokinetic microfluidic applications. This work presents a combined numerical and experimental study of electrokinetic ferrofluid/water co-flows in microchannels of various depths. Instability waves are observed at the ferrofluid and water interface when the applied DC electric field is beyond a threshold value. They are generated by the electric body force that acts on the free charge induced by the mismatch of ferrofluid and water electric conductivities. A nonlinear depth-averaged numerical model is developed to understand and simulate the interfacial electrokinetic behaviors. It considers the top and bottom channel walls’ stabilizing effects on electrokinetic flow through the depth averaging of three-dimensional transport equations in a second-order asymptotic analysis. This model is found accurate to predict both the observed electrokinetic instability patterns and the measured threshold electric fields for ferrofluids of different concentrations in shallow microchannels. PMID:28406228

Vertical Transport of Sediment from Muddy Buoyant River Plumes in the Presence of Different Modes of Interfacial Instabilities

NASA Astrophysics Data System (ADS)

Strom, K.; Rouhnia, M.

2016-12-01

Previous studies have suggested that sedimentation from buoyant, muddy plumes lofting over clear saltwater can take place at rates higher than that expected from individual particle settling (i.e., CWs). Two potential drivers of enhanced sedimentation are flocculation and interfacial instabilities. We experimentally measured the sediment fluxes from each of these processes using two sets of laboratory experiments that investigate two different modes of instability, one driven by sediment settling and one driven by fluid shear. The settling-driven and shear-driven instability experiments were carried out in a stagnant stratification tank and a stratification flume respectively. In both sets, continuous interface monitoring and concentration measurements were made to observe developments of instabilities and their effects on the removal of sediment. Floc size was measured during the experiments using a floc camera and image analysis routines. This presentation will provide an overview of the stagnant tank experiments, but will focus on results from the stratified flume experiments and an analysis that attempts to synthesizes the results from the entirety of the study. The results from the stratified flume experiments show that under shear instabilities, the effective settling velocity is greater than the floc settling velocity, and that the rate increases with plume velocity and interface mixing. The difference between effective and floc settling velocity was denoted as the shear-induced settling velocity. This rate was found to be a strong function of the Richardson number, and was attributed to mixing processes at the interface. Conceptual and empirical analysis shows that the shear-induced settling velocity is proportional to URi-2. The resulting effective settling velocity models developed from these experiments are then used to examine the rates and potential locations of operations of these mechanism over the length of a river mouth plume.

Mode selection of magneto-Rayleigh-Taylor instability from the point of view of Landau phase transition theory

NASA Astrophysics Data System (ADS)

Dan, Jia Kun; Huang, Xian Bin; Ren, Xiao Dong; Wei, Bing

2017-08-01

A theoretical model referring to mode selection of Z-pinch-driven magneto-Rayleigh-Taylor (MRT) instability, which explains the generation of fundamental instability mode and evolution of fundamental wavelength in experiments, is proposed on the basis of the Landau theory of phase transition. The basic idea of this phase transition model lies in that the appearance of MRT instability pattern can be considered as a consequence of the spontaneous generation of interfacial structure like the spontaneous magnetization in a ferromagnetic system. It is demonstrated that the amplitude of instability is responsible for the order parameter in the Landau theory of phase transition and the fundamental wavelength appears to play a role analogous to inverse temperature in thermodynamics. Further analysis indicates that the MRT instability is characterized by first order phase transition and the fundamental wavelength is proportional to the square root of energy entering into the system from the driving source. The theory predicts that the fundamental wavelength grows rapidly and saturates reaching a limiting wavelength of the order of the liner's final outer radius. The results given by this theory show qualitative agreement with the available experimental data of MRT instability of liner implosions conducted on the Sandia Z machine as well as Primary Test Stand facility at the Institute of Fluid Physics.

Lessons Learned from Numerical Simulations of Interfacial Instabilities

NASA Astrophysics Data System (ADS)

Cook, Andrew

2015-11-01

Rayleigh-Taylor (RT), Richtmyer-Meshkov (RM) and Kelvin-Helmholtz (KH) instabilities serve as efficient mixing mechanisms in a wide variety of flows, from supernovae to jet engines. Over the past decade, we have used the Miranda code to temporally integrate the multi-component Navier-Stokes equations at spatial resolutions up to 29 billion grid points. The code employs 10th-order compact schemes for spatial derivatives, combined with 4th-order Runge-Kutta time advancement. Some of our major findings are as follows: The rate of growth of a mixing layer is equivalent to the net mass flux through the equi-molar plane. RT growth rates can be significantly reduced by adding shear. RT instability can produce shock waves. The growth rate of RM instability can be predicted from known interfacial perturbations. RM vortex projectiles can far outrun the mixing region. Thermal fluctuations in molecular dynamics simulations can seed instabilities along the braids in KH instability. And finally, enthalpy diffusion is essential in preserving the second law of thermodynamics. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Directionally asymmetric self-assembly of cadmium sulfide nanotubes using porous alumina nanoreactors: need for chemohydrodynamic instability at the nanoscale.

PubMed

Varghese, Arthur; Datta, Shouvik

2012-05-01

We explore nanoscale hydrodynamical effects on synthesis and self-assembly of cadmium sulfide nanotubes oriented along one direction. These nanotubes are synthesized by horizontal capillary flow of two different chemical reagents from opposite directions through nanochannels of porous anodic alumina which are used primarily as nanoreactors. We show that uneven flow of different chemical precursors is responsible for directionally asymmetric growth of these nanotubes. On the basis of structural observations using scanning electron microscopy, we argue that chemohydrodynamic convective interfacial instability of multicomponent liquid-liquid reactive interface is necessary for sustained nucleation of these CdS nanotubes at the edges of these porous nanochannels over several hours. However, our estimates clearly suggest that classical hydrodynamics cannot account for the occurrence of such instabilities at these small length scales. Therefore, we present a case which necessitates further investigation and understanding of chemohydrodynamic fluid flow through nanoconfined channels in order to explain the occurrence of such interfacial instabilities at nanometer length scales.

A combined Eulerian-volume of fraction-Lagrangian method for atomization simulation

NASA Technical Reports Server (NTRS)

Seung, S. P.; Chen, C. P.; Ziebarth, John P.

1994-01-01

The tracking of free surfaces between liquid and gas phases and analysis of the interfacial phenomena between the two during the atomization and breakup process of a liquid fuel jet is modeled. Numerical modeling of liquid-jet atomization requires the resolution of different conservation equations. Detailed formulation and validation are presented for the confined dam broken problem, the water surface problem, the single droplet problem, a jet breakup problem, and the liquid column instability problem.

Interfacial gauge methods for incompressible fluid dynamics

PubMed Central

Saye, Robert

2016-01-01

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of “gauge freedom” to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work, high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena. PMID:27386567

Numerical simulation of polyester coextrusion: Influence of the thermal parameters and the die geometry on interfacial instabilities

NASA Astrophysics Data System (ADS)

Mahdaoui, O.; Agassant, J.-F.; Laure, P.; Valette, R.; Silva, L.

2007-04-01

The polymer coextrusion process is a new method of sheet metal lining. It allows to substitute lacquers for steel protection in food packaging industry. The coextrusion process may exhibit flow instabilities at the interface between the two polymer layers. The objective of this study is to check the influence of processing and rheology parameters on the instabilities. Finite elements numerical simulations of the coextrusion allow to investigate various stable and instable flow configurations.

Flow instabilities due to the interfacial formation of surfactant-fatty acid material in a Hele-Shaw cell

NASA Astrophysics Data System (ADS)

Niroobakhsh, Zahra; Litman, Matthew; Belmonte, Andrew

2017-11-01

We present an experimental study of pattern formation during the penetration of an aqueous surfactant solution into a liquid fatty acid in a Hele-Shaw cell. When a solution of the cationic surfactant cetylpyridinium chloride is injected into oleic acid, a wide variety of fingering patterns are observed as a function of surfactant concentration and flow rate, which are strikingly different than the classic Saffman-Taylor (ST) instability. We observe evidence of interfacial material forming between the two liquids, causing these instabilities. Moreover, the number of fingers decreases with increasing flow rate Q , while the average finger width increases with Q , both trends opposite to the ST case. Bulk rheology on related mixtures indicates a gel-like state. Comparison of experiments using other oils indicates the importance of pH and the carboxylic head group in the formation of the surfactant-fatty acid material.

Interfacial patterns in magnetorheological fluids: Azimuthal field-induced structures.

PubMed

Dias, Eduardo O; Lira, Sérgio A; Miranda, José A

2015-08-01

Despite their practical and academic relevance, studies of interfacial pattern formation in confined magnetorheological (MR) fluids have been largely overlooked in the literature. In this work, we present a contribution to this soft matter research topic and investigate the emergence of interfacial instabilities when an inviscid, initially circular bubble of a Newtonian fluid is surrounded by a MR fluid in a Hele-Shaw cell apparatus. An externally applied, in-plane azimuthal magnetic field produced by a current-carrying wire induces interfacial disturbances at the two-fluid interface, and pattern-forming structures arise. Linear stability analysis, weakly nonlinear theory, and a vortex sheet approach are used to access early linear and intermediate nonlinear time regimes, as well as to determine stationary interfacial shapes at fully nonlinear stages.

The Dynamics of Miscible Interfaces: Simulations

NASA Technical Reports Server (NTRS)

Meiburg, Eckart

2005-01-01

This research project focuses on the dynamics of interfacial regions between miscible fluids. While much attention has focused on immiscible interfaces in the past, miscible interfaces have been explored to a much lesser degree, so that there are many open questions regarding their dynamics at this time. Among the more pressing issues is the role that nonconventional stresses can play in such interfacial regions. Such stresses are typically not accounted for in efforts to model the dynamics of miscible flows. Our research aims to clarify under which circumstances these stresses do have to be taken into account, and what quantitative approaches are most suitable in this regard. In order to address these issues, we have focused on conducting linear stability analyses and nonlinear simulations for capillary tube and Hele-Shaw flows, and to compare the results with corresponding experiments performed in the labs of our co-investigators Prof. Maxworthy at USC, and Dr. Balasubramaniam at NASA. Over the duration of the project we have, among other things, focused on the effects of variable diffusion coefficients in such flows, and specifically on their influence in the growth of instabilities. Furthermore, our three-dimensional spectral element simulations have made good progress, so that we have come to a point where we can conduct more detailed comparisons with experimental observations. We are currently focusing our efforts on reproducing the tip-splitting instability observed by Maxworthy. Finally, we have discovered a new core-annular flow instability in the Stokes flow regime during the last year. This represents a significant finding, as this instability does not have an immiscible counterpart.

Manipulation of three-dimensional Richtmyer-Meshkov instability by initial interfacial principal curvatures

NASA Astrophysics Data System (ADS)

Guan, Ben; Zhai, Zhigang; Si, Ting; Lu, Xiyun; Luo, Xisheng

2017-03-01

The characteristics of three-dimensional (3D) Richtmyer-Meshkov instability (RMI) in the early stages are studied numerically. By designing 3D interfaces that initially possess various identical and opposite principal curvature combinations, the growth rate of perturbations can be effectively manipulated. The weighted essentially nonoscillatory scheme and the level set method combined with the real ghost fluid method are used to simulate the flow. The results indicate that the interface development and the shock propagation in 3D cases are much more complicated than those in 2D case, and the evolution of 3D interfaces is heavily dependent on the initial interfacial principal curvatures. The 3D structure of wave patterns induces high pressure zones in the flow field, and the pressure oscillations change the local instabilities of interfaces. In the linear stages, the perturbation growth rate follows regularity as the interfacial principal curvatures vary, which is further predicted by the stability theory of 2D and 3D interfaces. It is also found that hysteresis effects exist at the onset of the linear stages in the 3D case for the same initial perturbations as the 2D case, resulting in different evolutions of 3D RMI in the nonlinear stages.

Application of optical 3D measurement on thin film buckling to estimate interfacial toughness

NASA Astrophysics Data System (ADS)

Jia, H. K.; Wang, S. B.; Li, L. A.; Wang, Z. Y.; Goudeau, P.

2014-03-01

The shape-from-focus (SFF) method has been widely studied as a passive depth recovery and 3D reconstruction method for digital images. An important step in SFF is the calculation of the focus level for different points in an image by using a focus measure. In this work, an image entropy-based focus measure is introduced into the SFF method to measure the 3D buckling morphology of an aluminum film on a polymethylmethacrylate (PMMA) substrate at a micro scale. Spontaneous film wrinkles and telephone-cord wrinkles are investigated after the deposition of a 300 nm thick aluminum film onto the PMMA substrate. Spontaneous buckling is driven by the highly compressive stress generated in the Al film during the deposition process. The interfacial toughness between metal films and substrates is an important parameter for the reliability of the film/substrate system. The height profiles of different sections across the telephone-cord wrinkle can be considered a straight-sided model with uniform width and height or a pinned circular model that has a delamination region characterized by a sequence of connected sectors. Furthermore, the telephone-cord geometry of the thin film can be used to calculate interfacial toughness. The instability of the finite element model is introduced to fit the buckling morphology obtained by SFF. The interfacial toughness is determined to be 0.203 J/m2 at a 70.4° phase angle from the straight-sided model and 0.105 J/m2 at 76.9° from the pinned circular model.

A phase-field approach to nonequilibrium phase transformations in elastic solids via an intermediate phase (melt) allowing for interface stresses.

PubMed

Momeni, Kasra; Levitas, Valery I

2016-04-28

A phase-field approach for phase transformations (PTs) between three different phases at nonequilibrium temperatures is developed. It includes advanced mechanics, thermodynamically consistent interfacial stresses, and interface interactions. A thermodynamic Landau-Ginzburg potential developed in terms of polar order parameters satisfies the desired instability and equilibrium conditions for homogeneous phases. The interfacial stresses were introduced with some terms from large-strain formulation even though the small-strain assumption was utilized. The developed model is applied to study the PTs between two solid phases via a highly disordered intermediate phase (IP) or an intermediate melt (IM) hundreds of degrees below the melting temperature. In particular, the β ↔ δ PTs in HMX energetic crystals via IM are analyzed. The effects of various parameters (temperature, ratios of widths and energies of solid-solid (SS) to solid-melt (SM) interfaces, elastic energy, and interfacial stresses) on the formation, stability, and structure of the IM within a propagating SS interface are studied. Interfacial and elastic stresses within a SS interphase and their relaxation and redistribution with the appearance of a partial or complete IM are analyzed. The energy and structure of the critical nucleus (CN) of the IM are studied as well. In particular, the interfacial stresses increase the aspect-ratio of the CN. Although including elastic energy can drastically reduce the energy of the CN of the IM, the activation energy of the CN of the IM within the SS interface increases when interfacial tension is taken into account. The developed thermodynamic potential can also be modified to model other multiphase physical phenomena, such as multi-variant martensitic PTs, grain boundary and surface-induced pre-melting and PTs, as well as developing phase diagrams for IPs.

Interfacial gauge methods for incompressible fluid dynamics

DOE PAGES

Saye, R.

2016-06-10

Designing numerical methods for incompressible fluid flow involving moving interfaces, for example, in the computational modeling of bubble dynamics, swimming organisms, or surface waves, presents challenges due to the coupling of interfacial forces with incompressibility constraints. A class of methods, denoted interfacial gauge methods, is introduced for computing solutions to the corresponding incompressible Navier-Stokes equations. These methods use a type of "gauge freedom" to reduce the numerical coupling between fluid velocity, pressure, and interface position, allowing high-order accurate numerical methods to be developed more easily. Making use of an implicit mesh discontinuous Galerkin framework, developed in tandem with this work,more » high-order results are demonstrated, including surface tension dynamics in which fluid velocity, pressure, and interface geometry are computed with fourth-order spatial accuracy in the maximum norm. Applications are demonstrated with two-phase fluid flow displaying fine-scaled capillary wave dynamics, rigid body fluid-structure interaction, and a fluid-jet free surface flow problem exhibiting vortex shedding induced by a type of Plateau-Rayleigh instability. The developed methods can be generalized to other types of interfacial flow and facilitate precise computation of complex fluid interface phenomena.« less

Linear stability of an active fluid interface

NASA Astrophysics Data System (ADS)

Nagilla, Amarender; Prabhakar, Ranganathan; Jadhav, Sameer

2018-02-01

Motivated by studies suggesting that the patterns exhibited by the collectively expanding fronts of thin cells during the closing of a wound [S. Mark et al., "Physical model of the dynamic instability in an expanding cell culture," Biophys. J. 98(3), 361-370 (2010)] and the shapes of single cells crawling on surfaces [A. C. Callan-Jones et al., "Viscous-fingering-like instability of cell fragments," Phys. Rev. Lett. 100(25), 258106 (2008)] are due to fingering instabilities, we investigate the stability of actively driven interfaces under the Hele-Shaw confinement. An initially radial interface between a pair of viscous fluids is driven by active agents. Surface tension and bending rigidity resist the deformation of the interface. A point source at the origin and a distributed source are also included to model the effects of injection or suction and growth or depletion, respectively. Linear stability analysis reveals that for any given initial radius of the interface, there are two key dimensionless driving rates that determine interfacial stability. We discuss stability regimes in a state space of these parameters and their implications for biological systems. An interesting finding is that an actively mobile interface is susceptible to the fingering instability irrespective of viscosity contrast.

Liquid behavior of cross-linked actin bundles.

PubMed

Weirich, Kimberly L; Banerjee, Shiladitya; Dasbiswas, Kinjal; Witten, Thomas A; Vaikuntanathan, Suriyanarayanan; Gardel, Margaret L

2017-02-28

The actin cytoskeleton is a critical regulator of cytoplasmic architecture and mechanics, essential in a myriad of physiological processes. Here we demonstrate a liquid phase of actin filaments in the presence of the physiological cross-linker, filamin. Filamin condenses short actin filaments into spindle-shaped droplets, or tactoids, with shape dynamics consistent with a continuum model of anisotropic liquids. We find that cross-linker density controls the droplet shape and deformation timescales, consistent with a variable interfacial tension and viscosity. Near the liquid-solid transition, cross-linked actin bundles show behaviors reminiscent of fluid threads, including capillary instabilities and contraction. These data reveal a liquid droplet phase of actin, demixed from the surrounding solution and dominated by interfacial tension. These results suggest a mechanism to control organization, morphology, and dynamics of the actin cytoskeleton.

A two-layer model for buoyant inertial displacement flows in inclined pipes

NASA Astrophysics Data System (ADS)

Etrati, Ali; Frigaard, Ian A.

2018-02-01

We investigate the inertial flows found in buoyant miscible displacements using a two-layer model. From displacement flow experiments in inclined pipes, it has been observed that for significant ranges of Fr and Re cos β/Fr, a two-layer, stratified flow develops with the heavier fluid moving at the bottom of the pipe. Due to significant inertial effects, thin-film/lubrication models developed for laminar, viscous flows are not effective for predicting these flows. Here we develop a displacement model that addresses this shortcoming. The complete model for the displacement flow consists of mass and momentum equations for each fluid, resulting in a set of four non-linear equations. By integrating over each layer and eliminating the pressure gradient, we reduce the system to two equations for the area and mean velocity of the heavy fluid layer. The wall and interfacial stresses appear as source terms in the reduced system. The final system of equations is solved numerically using a robust, shock-capturing scheme. The equations are stabilized to remove non-physical instabilities. A linear stability analysis is able to predict the onset of instabilities at the interface and together with numerical solution, is used to study displacement effectiveness over different parametric regimes. Backflow and instability onset predictions are made for different viscosity ratios.

Experimental observation of standing interfacial waves induced by surface waves in muddy water

NASA Astrophysics Data System (ADS)

Maxeiner, Eric; Dalrymple, Robert A.

2011-09-01

A striking feature has been observed in a laboratory wave tank with a thin layer of clear water overlying a layer of mud. A piston-type wave maker is used to generate long monochromatic surface waves in a tank with a layer of kaolinite clay at the bottom. The wave action on the mud causes the clay particles to rise from the bottom into the water column, forming a lutocline. As the lutocline approaches the water surface, a set of standing interfacial waves form on the lutocline. The interfacial wave directions are oriented nearly orthogonal to the surface wave direction. The interfacial waves, which sometimes cover the entire length and width of the tank, are also temporally subharmonic as the phase of the interfacial wave alternates with each passing surface wave crest. These interfacial waves are the result of a resonant three-wave interaction involving the surface wave train and the two interfacial wave trains. The interfacial waves are only present when the lutocline is about 3 cm of the water surface and they can be sufficiently nonlinear as to exhibit superharmonics and a breaking-type of instability.

X-ray driven reaction front dynamics at calcite-water interfaces

DOE PAGES

Laanait, Nouamane; Callagon, Erika Blanca R.; Zhang, Zhan; ...

2015-09-18

The interface of minerals with aqueous solutions is central to geochemical reactivity, hosting processes that span multiple spatiotemporal scales. Understanding such processes requires spatially and temporally resolved observations, and experimental controls that precisely manipulate the interfacial thermodynamic state. Using the intense radiation fields of a focused synchrotron X-ray beam, we drove dissolution at the calcite-aqueous interface and simultaneously probed the dynamics of the propagating reaction fronts using surface X-ray microscopy. Evolving surface structures are controlled by the time-dependent solution composition as characterized by a kinetic reaction model. At extreme disequilibria, the onset of reaction front instabilities was observed with velocitiesmore » of >30 nanometers per second. As a result, these instabilities are identified as a signature of transport-limited dissolution of calcite under extreme disequilibrium.« less

Moiré superlattice-level stick-slip instability originated from geometrically corrugated graphene on a strongly interacting substrate

NASA Astrophysics Data System (ADS)

Shi, Ruoyu; Gao, Lei; Lu, Hongliang; Li, Qunyang; Ma, Tian-Bao; Guo, Hui; Du, Shixuan; Feng, Xi-Qiao; Zhang, Shuai; Liu, Yanmin; Cheng, Peng; Hu, Yuan-Zhong; Gao, Hong-Jun; Luo, Jianbin

2017-06-01

Two dimensional (2D) materials often exhibit novel properties due to various coupling effects with their supporting substrates. Here, using friction force microscopy (FFM), we report an unusual moiré superlattice-level stick-slip instability on monolayer graphene epitaxially grown on Ru(0 0 0 1) substrate. Instead of smooth friction modulation, a significant long-range stick-slip sawtooth modulation emerges with a period coinciding with the moiré superlattice structure, which is robust against high external loads and leads to an additional channel of energy dissipation. In contrast, the long-range stick-slip instability reduces to smooth friction modulation on graphene/Ir(1 1 1) substrate. The moiré superlattice-level slip instability could be attributed to the large sliding energy barrier, which arises from the morphological corrugation of graphene on Ru(0 0 0 1) surface as indicated by density functional theory (DFT) calculations. The locally steep humps acting as obstacles opposing the tip sliding, originates from the strong interfacial electronic interaction between graphene and Ru(0 0 0 1). This study opens an avenue for modulating friction by tuning the interfacial atomic interaction between 2D materials and their substrates.

Contact Line Instability Caused by Air Rim Formation under Nonsplashing Droplets.

PubMed

Pack, Min; Kaneelil, Paul; Kim, Hyoungsoo; Sun, Ying

2018-05-01

Drop impact is fundamental to various natural and industrial processes such as rain-induced soil erosion and spray-coating technologies. The recent discovery of the role of air entrainment between the droplet and the impacting surface has produced numerous works, uncovering the unique physics that correlates the air film dynamics with the drop impact outcomes. In this study, we focus on the post-failure air entrainment dynamics for We numbers well below the splash threshold under different ambient pressures and elucidate the interfacial instabilities formed by air entrainment at the wetting front of impacting droplets on perfectly smooth, viscous films of constant thickness. A high-speed total internal reflection microscopy technique accounting for the Fresnel reflection at the drop-air interface allows for in situ measurements of an entrained air rim at the wetting front. The presence of an air rim is found to be a prerequisite to the interfacial instability which is formed when the capillary pressure in the vicinity of the contact line can no longer balance the increasing gas pressure near the wetting front. A critical capillary number for the air rim formation is experimentally identified above which the wetting front becomes unstable where this critical capillary number inversely scales with the ambient pressure. The contact line instabilities at relatively low We numbers ( We ∼ O(10)) observed in this study provide insight into the conventional understanding of hydrodynamic instabilities under drop impact which usually require We ≫ 10.

Fundamental Processes of Atomization in Fluid-Fluid Flows

NASA Technical Reports Server (NTRS)

McCready, M. J.; Chang, H.-C.; Leighton, D. T.

2001-01-01

This report outlines the major results of the grant "Fundamental Processes of Atomization in Fluid-Fluid Flows." These include: 1) the demonstration that atomization in liquid/liquid shear flow is driven by a viscous shear instability that triggers the formation of a long thin sheet; 2) discovery of a new mode of interfacial instability for oscillatory two-layer systems whereby a mode that originates within the less viscous liquid phase causes interfacial deformation as the oscillation proceeds; 3) the demonstration that rivulet formation from gravity front occurs because the local front shape specified by gravity and surface tension changes from a nose to a wedge geometry, thus triggering a large increase in viscous resistance; and 4) extension of the studies on nonlinear wave evolution on falling films and in stratified flow, particularly the evolution towards large-amplitude solitary waves that tend to generate drops.

Instability mechanisms in microfluidics and nanomaterials

NASA Astrophysics Data System (ADS)

Thamida, Sunil Kumar

Recent scientific advances in chemical engineering are leading to synthesis of micro-scale and nano-scale functional devices and materials. However, optimal design and performance of these devices and materials requires a fundamental under standing of the interfacial phenomena at micro-scale and nano-scale. Due to new physical forces unique to small scales, new phenomena appear that are unexpected at large scales. A study of new interfacial patterns that arise from various interfacial instabilities at these scales is carried out in this dissertation. Nevertheless, interfacial patterns ranging from micro to macro scale are ubiquitous in multiphase systems and material synthesis involving a surface reaction. Fractal break up of a thin viscous oil film dewetting between two separating plates is studied experimentally. Unlike the classical patterns of pores and dendrites, it forms a fractal pattern like a branching tree with its origin at the center of the circular film. Lubrication theory is extended to such a fractal geometry, which is unlike the circular geometry of a classical dewetting problem. A power law scaling is obtained for the radial air finger length distribution to construct an idealized Cayley fractal structure. Our theory yields a result that the plate detach time decreases by half in the limit of a fully fractal pattern that is confirmed experimentally. Nanopore formation in anodized alumina is also found to bear similarities to the interfacial pattern formation of the dewetting film between two separating plates. The oxide layer formed on the aluminum during the initial stages of anodizing is found to be unstable to perturbations on the scale of a few nanometers and hence it leads to the nanopore formation. A linear stability analysis of the dual interfacial dynamics followed by a leading mode projection produces a single evolution equation for the pores. Numerical simulations of the nonlinear model reveals the hexagonal packing and self-organization dynamics of the pores. In microfluidic devices, electrokinetic flow produces spiral vortices and corner aggregation of particles and proteins at an inner corner of a channel turn that is unexplained by the short ranged DLVO forces. Field leakage effect due to the non perfectly insulating wall reveals a nonlinear singular and ejecting slip velocity condition at an acute angled sharp corner. The complete flow streamlines, vortices and the corner entrainment are revealed by conformal mapping, harmonic analysis and numerical simulation using Lattice-Boltzmann-Method (LBM). The method of hodograph transform developed for the earlier projects to solve the Laplace equation is also applied to find optimum shapes of dispersion free turns for electro-osmotic microfluidic channels.

The Stability and Interfacial Motion of Multi-layer Radial Porous Media and Hele-Shaw Flows

NASA Astrophysics Data System (ADS)

Gin, Craig; Daripa, Prabir

2017-11-01

In this talk, we will discuss viscous fingering instabilities of multi-layer immiscible porous media flows within the Hele-Shaw model in a radial flow geometry. We study the motion of the interfaces for flows with both constant and variable viscosity fluids. We consider the effects of using a variable injection rate on multi-layer flows. We also present a numerical approach to simulating the interface motion within linear theory using the method of eigenfunction expansion. We compare these results with fully non-linear simulations.

Velocity-strengthening friction significantly affects interfacial dynamics, strength and dissipation

PubMed Central

Bar-Sinai, Yohai; Spatschek, Robert; Brener, Efim A.; Bouchbinder, Eran

2015-01-01

Frictional interfaces abound in natural and man-made systems, yet their dynamics are not well-understood. Recent extensive experimental data have revealed that velocity-strengthening friction, where the steady-state frictional resistance increases with sliding velocity over some range, is a generic feature of such interfaces. This physical behavior has very recently been linked to slow stick-slip motion. Here we elucidate the importance of velocity-strengthening friction by theoretically studying three variants of a realistic friction model, all featuring identical logarithmic velocity-weakening friction at small sliding velocities, but differ in their higher velocity behaviors. By quantifying energy partition (e.g. radiation and dissipation), the selection of interfacial rupture fronts and rupture arrest, we show that the presence or absence of strengthening significantly affects the global interfacial resistance and the energy release during frictional instabilities. Furthermore, we show that different forms of strengthening may result in events of similar magnitude, yet with dramatically different dissipation and radiation rates. This happens because the events are mediated by rupture fronts with vastly different propagation velocities, where stronger velocity-strengthening friction promotes slower rupture. These theoretical results may have significant implications on our understanding of frictional dynamics. PMID:25598161

A Local Condensation Analysis Representing Two-phase Annular Flow in Condenser/radiator Capillary Tubes

NASA Technical Reports Server (NTRS)

Karimi, Amir

1991-01-01

NASA's effort for the thermal environmental control of the Space Station Freedom is directed towards the design, analysis, and development of an Active Thermal Control System (ATCS). A two phase, flow through condenser/radiator concept was baselined, as a part of the ATCS, for the radiation of space station thermal load into space. The proposed condenser rejects heat through direct condensation of ATCS working fluid (ammonia) in the small diameter radiator tubes. Analysis of the condensation process and design of condenser tubes are based on the available two phase flow models for the prediction of flow regimes, heat transfer, and pressure drops. The prediction formulas use the existing empirical relationships of friction factor at gas-liquid interface. An attempt is made to study the stability of interfacial waves in two phase annular flow. The formulation is presented of a stability problem in cylindrical coordinates. The contribution of fluid viscosity, surface tension, and transverse radius of curvature to the interfacial surface is included. A solution is obtained for Kelvin-Helmholtz instability problem which can be used to determine the critical and most dangerous wavelengths for interfacial waves.

Electric Field Induced Interfacial Instabilities

NASA Technical Reports Server (NTRS)

Kusner, Robert E.; Min, Kyung Yang; Wu, Xiao-Lun; Onuki, Akira

1996-01-01

The study of the interface in a charge-free, nonpolar, critical and near-critical binary fluid in the presence of an externally applied electric field is presented. At sufficiently large fields, the interface between the two phases of the binary fluid should become unstable and exhibit an undulation with a predefined wavelength on the order of the capillary length. As the critical point is approached, this wavelength is reduced, potentially approaching length-scales such as the correlation length or critical nucleation radius. At this point the critical properties of the system may be affected. In zero gravity, the interface is unstable at all long wavelengths in the presence of a field applied across it. It is conjectured that this will cause the binary fluid to break up into domains small enough to be outside the instability condition. The resulting pattern formation, and the effects on the critical properties as the domains approach the correlation length are of acute interest. With direct observation, laser light scattering, and interferometry, the phenomena can be probed to gain further understanding of interfacial instabilities and the pattern formation which results, and dimensional crossover in critical systems as the critical fluctuations in a particular direction are suppressed by external forces.

Lattice Boltzmann simulations of supercritical CO2-water drainage displacement in porous media: CO2 saturation and displacement mechanism.

PubMed

Yamabe, Hirotatsu; Tsuji, Takeshi; Liang, Yunfeng; Matsuoka, Toshifumi

2015-01-06

CO2 geosequestration in deep aquifers requires the displacement of water (wetting phase) from the porous media by supercritical CO2 (nonwetting phase). However, the interfacial instabilities, such as viscous and capillary fingerings, develop during the drainage displacement. Moreover, the burstlike Haines jump often occurs under conditions of low capillary number. To study these interfacial instabilities, we performed lattice Boltzmann simulations of CO2-water drainage displacement in a 3D synthetic granular rock model at a fixed viscosity ratio and at various capillary numbers. The capillary numbers are varied by changing injection pressure, which induces changes in flow velocity. It was observed that the viscous fingering was dominant at high injection pressures, whereas the crossover of viscous and capillary fingerings was observed, accompanied by Haines jumps, at low injection pressures. The Haines jumps flowing forward caused a significant drop of CO2 saturation, whereas Haines jumps flowing backward caused an increase of CO2 saturation (per injection depth). We demonstrated that the pore-scale Haines jumps remarkably influenced the flow path and therefore equilibrium CO2 saturation in crossover domain, which is in turn related to the storage efficiency in the field-scale geosequestration. The results can improve our understandings of the storage efficiency by the effects of pore-scale displacement phenomena.

Maximum initial growth-rate of strong-shock-driven Richtmyer-Meshkov instability

NASA Astrophysics Data System (ADS)

Abarzhi, Snezhana I.; Bhowmich, Aklant K.; Dell, Zachary R.; Pandian, Arun; Stanic, Milos; Stellingwerf, Robert F.; Swisher, Nora C.

2017-10-01

We focus on classical problem of dependence on the initial conditions of the initial growth-rate of strong shocks driven Richtmyer-Meshkov instability (RMI) by developing a novel empirical model and by employing rigorous theories and Smoothed Particle Hydrodynamics (SPH) simulations to describe the simulations data with statistical confidence in a broad parameter regime. For given values of the shock strength, fluids' density ratio, and wavelength of the initial perturbation of the fluid interface, we find the maximum value of RMI initial growth-rate, the corresponding amplitude scale of the initial perturbation, and the maximum fraction of interfacial energy. This amplitude scale is independent of the shock strength and density ratio, and is characteristic quantity of RMI dynamics. We discover the exponential decay of the ratio of the initial and linear growth-rates of RMI with the initial perturbation amplitude that excellently agrees with available data. National Science Foundation, USA.

Maximum initial growth-rate of strong-shock-driven Richtmyer-Meshkov instability

NASA Astrophysics Data System (ADS)

Abarzhi, Snezhana I.; Bhowmich, Aklant K.; Dell, Zachary R.; Pandian, Arun; Stanic, Milos; Stellingwerf, Robert F.; Swisher, Nora C.

2017-11-01

We focus on classical problem of dependence on the initial conditions of the initial growth-rate of strong shocks driven Richtmyer-Meshkov instability (RMI) by developing a novel empirical model and by employing rigorous theories and Smoothed Particle Hydrodynamics (SPH) simulations to describe the simulations data with statistical confidence in a broad parameter regime. For given values of the shock strength, fluids' density ratio, and wavelength of the initial perturbation of the fluid interface, we find the maximum value of RMI initial growth-rate, the corresponding amplitude scale of the initial perturbation, and the maximum fraction of interfacial energy. This amplitude scale is independent of the shock strength and density ratio, and is characteristic quantity of RMI dynamics. We discover the exponential decay of the ratio of the initial and linear growth-rates of RMI with the initial perturbation amplitude that excellently agrees with available data. National Science Foundation, USA.

A Novel Hyperbolization Procedure for The Two-Phase Six-Equation Flow Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Samet Y. Kadioglu; Robert Nourgaliev; Nam Dinh

2011-10-01

We introduce a novel approach for the hyperbolization of the well-known two-phase six equation flow model. The six-equation model has been frequently used in many two-phase flow applications such as bubbly fluid flows in nuclear reactors. One major drawback of this model is that it can be arbitrarily non-hyperbolic resulting in difficulties such as numerical instability issues. Non-hyperbolic behavior can be associated with complex eigenvalues that correspond to characteristic matrix of the system. Complex eigenvalues are often due to certain flow parameter choices such as the definition of inter-facial pressure terms. In our method, we prevent the characteristic matrix receivingmore » complex eigenvalues by fine tuning the inter-facial pressure terms with an iterative procedure. In this way, the characteristic matrix possesses all real eigenvalues meaning that the characteristic wave speeds are all real therefore the overall two-phase flowmodel becomes hyperbolic. The main advantage of this is that one can apply less diffusive highly accurate high resolution numerical schemes that often rely on explicit calculations of real eigenvalues. We note that existing non-hyperbolic models are discretized mainly based on low order highly dissipative numerical techniques in order to avoid stability issues.« less

The nature of interfacial instabilities in liquid metal batteries in a vertical magnetic field

NASA Astrophysics Data System (ADS)

Molokov, S.

2018-02-01

The nature of instabilities in liquid metal batteries in the presence of a vertical magnetic field has been studied. The battery consists of two liquid metal layers, connected to the collectors, and a layer with an electrolyte inbetween. The closed geometry in the horizontal plane has been replaced by a half-plane to get a better insight into the problem. As in aluminium reduction cells the instability is generated at the electrically insulating sidewall of the battery. A travelling-wave solution has been obtained, which shows that there are two modes of the instability, fast and slow. Either of these modes may be most unstable depending on the values of various parameters, the most important of which are the well-known parameter of the instability, β, and the density of the electrolyte. For the intermediate range of the electrolyte density the medium-size batteries may be expected to be stable.

High-Strain-Rate Material Behavior and Adiabatic Material Instability in Impact of Micron-Scale Al-6061 Particles

NASA Astrophysics Data System (ADS)

Chen, Qiyong; Alizadeh, Arash; Xie, Wanting; Wang, Xuemei; Champagne, Victor; Gouldstone, Andrew; Lee, Jae-Hwang; Müftü, Sinan

2018-04-01

Impact of spherical particles onto a flat sapphire surface was investigated in 50-950 m/s impact speed range experimentally and theoretically. Material parameters of the bilinear Johnson-Cook model were determined based on comparison of deformed particle shapes from experiment and simulation. Effects of high-strain-rate plastic flow, heat generation due to plasticity, material damage, interfacial friction and heat transfer were modeled. Four distinct regions were identified inside the particle by analyzing temporal variation of material flow. A relatively small volume of material near the impact zone becomes unstable due to plasticity-induced heating, accompanied by severe drop in the flow stress for impact velocity that exceeds 500 m/s. Outside of this region, flow stress is reduced due to temperature effects without the instability. Load carrying capacity of the material degrades and the material expands horizontally leading to jetting. The increase in overall plastic and frictional dissipation with impact velocity was found to be inherently lower than the increase in the kinetic energy at high speeds, leading to the instability. This work introduces a novel method to characterize HSR (109 s-1) material properties and also explains coupling between HSR material behavior and mechanics that lead to extreme deformation.

Interfacial fluid instabilities and Kapitsa pendula.

PubMed

Krieger, Madison S

2017-07-01

The onset and development of instabilities is one of the central problems in fluid mechanics. Here we develop a connection between instabilities of free fluid interfaces and inverted pendula. When acted upon solely by the gravitational force, the inverted pendulum is unstable. This position can be stabilized by the Kapitsa phenomenon, in which high-frequency low-amplitude vertical vibrations of the base creates a fictitious force which opposes the gravitational force. By transforming the dynamical equations governing a fluid interface into an appropriate pendulum-type equation, we demonstrate how stability can be induced in fluid systems by properly tuned vibrations. We construct a "dictionary"-type relationship between various pendula and the classical Rayleigh-Taylor, Kelvin-Helmholtz, Rayleigh-Plateau and the self-gravitational instabilities. This makes several results in control theory and dynamical systems directly applicable to the study of tunable fluid instabilities, where the critical wavelength depends on the external forces or the instability is suppressed entirely. We suggest some applications and instances of the effect ranging in scale from microns to the radius of a galaxy.

Interfacial instabilities in vibrated fluids

NASA Astrophysics Data System (ADS)

Porter, Jeff; Laverón-Simavilla, Ana; Tinao Perez-Miravete, Ignacio; Fernandez Fraile, Jose Javier

2016-07-01

Vibrations induce a range of different interfacial phenomena in fluid systems depending on the frequency and orientation of the forcing. With gravity, (large) interfaces are approximately flat and there is a qualitative difference between vertical and horizontal forcing. Sufficient vertical forcing produces subharmonic standing waves (Faraday waves) that extend over the whole interface. Horizontal forcing can excite both localized and extended interfacial phenomena. The vibrating solid boundaries act as wavemakers to excite traveling waves (or sloshing modes at low frequencies) but they also drive evanescent bulk modes whose oscillatory pressure gradient can parametrically excite subharmonic surface waves like cross-waves. Depending on the magnitude of the damping and the aspect ratio of the container, these locally generated surfaces waves may interact in the interior resulting in temporal modulation and other complex dynamics. In the case where the interface separates two fluids of different density in, for example, a rectangular container, the mass transfer due to vertical motion near the endwalls requires a counterflow in the interior region that can lead to a Kelvin-Helmholtz type instability and a ``frozen wave" pattern. In microgravity, the dominance of surface forces favors non-flat equilibrium configurations and the distinction between vertical and horizontal applied forcing can be lost. Hysteresis and multiplicity of solutions are more common, especially in non-wetting systems where disconnected (partial) volumes of fluid can be established. Furthermore, the vibrational field contributes a dynamic pressure term that competes with surface tension to select the (time averaged) shape of the surface. These new (quasi-static) surface configurations, known as vibroequilibria, can differ substantially from the hydrostatic state. There is a tendency for the interface to orient perpendicular to the vibrational axis and, in some cases, a bulge or cavity is induced that leads to splitting (fluid separation). We investigate the interaction of these prominent interfacial instabilities in the absence of gravity, concentrating on harmonically vibrated rectangular containers of fluid. We compare vibroequilibria theory with direct numerical simulations and consider the effect of surfaces waves, which can excite sloshing motion of the vibroequilibria. We systematically investigate the saddle-node bifurcation experienced by a symmetric singly connected vibroequilibria solution, for sufficiently deep containers, as forcing is increased. Beyond this instability, the fluid rapidly separates into (at least) two distinct masses. Pronounced hysteresis is associated with this transition, even in the presence of gravity. The interaction of vibroequilibria and frozen waves is investigated in two-fluid systems. Preparations for a parabolic flight experiment on fluids vibrated at high frequencies are discussed.

Non-Newtonian Hele-Shaw Flow and the Saffman-Taylor Instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kondic, L.; Shelley, M.J.; Palffy-Muhoray, P.

We explore the Saffman-Taylor instability of a gas bubble expanding into a shear thinning liquid in a radial Hele-Shaw cell. Using Darcy{close_quote}s law generalized for non-Newtonian fluids, we perform simulations of the full dynamical problem. The simulations show that shear thinning significantly influences the developing interfacial patterns. Shear thinning can suppress tip splitting, and produce fingers which oscillate during growth and shed side branches. Emergent length scales show reasonable agreement with a general linear stability analysis. {copyright} {ital 1998} {ital The American Physical Society}

Dynamics and Instabilities of Acoustically Stressed Interfaces

NASA Astrophysics Data System (ADS)

Shi, William Tao

An intense sound field exerts acoustic radiation pressure on a transitional layer between two continuous fluid media, leading to the unconventional dynamical behavior of the interface in the presence of the sound field. An understanding of this behavior has applications in the study of drop dynamics and surface rheology. Acoustic fields have also been utilized in the generation of interfacial instability, which may further encourage the dispersion or coalescence of liquids. Therefore, the study of the dynamics of the acoustically stressed interfaces is essential to infer the mechanism of the various phenomena related to interfacial dynamics and to acquire the properties of liquid surfaces. This thesis studies the dynamics of acoustically stressed interfaces through a theoretical model of surface interactions on both closed and open interfaces. Accordingly, a boundary integral method is developed to simulate the motions of a stressed interface. The method has been employed to determine the deformation, oscillation and instability of acoustically levitated drops. The generalized computations are found to be in good agreement with available experimental results. The linearized theory is also derived to predict the instability threshold of the flat interface, and is then compared with experiments conducted to observe and measure the unstable motions of the horizontal interface. This thesis is devoted to describing and classifying the simplest mechanisms by which acoustic fields provide a surface interaction with a fluid. A physical picture of the competing processes introduced by the evolution of an interface in a sound field is presented. The development of an initial small perturbation into a sharp form is observed on either a drop surface or a horizontal interface, indicating a strong focusing of acoustic energy at certain spots of the interface. Emphasis is placed on understanding the basic coupling mechanisms, rather than on particular applications that may involve this coupling. The dynamical behavior of a stressed drop can be determined in terms of a given form of an incident sound field and three dimensionless quantities. Thus, the behavior of a complex dynamic system has been clarified, permitting the exploration and interpretation of the nature of liquid surface phenomena.

Instabilities and pattern formation on the pore scale

NASA Astrophysics Data System (ADS)

Juel, Anne

What links a baby's first breath to adhesive debonding, enhanced oil recovery, or even drop-on-demand devices? All these processes involve moving or expanding bubbles displacing fluid in a confined space, bounded by either rigid or elastic walls. In this talk, we show how spatial confinement may either induce or suppress interfacial instabilities and pattern formation in such flows. We demonstrate that a simple change in the bounding geometry can radically alter the behaviour of a fluid-displacing air finger both in rigid and elastic vessels. A rich array of propagation modes, including steady and oscillatory fingers, is uncovered when air displaces oil from axially uniform tubes that have local variations in flow resistance within their cross-sections. Moreover, we show that the experimentally observed states can all be captured by a two-dimensional depth-averaged model for bubble propagation through wide channels. Viscous fingering in Hele-Shaw cells is a classical and widely studied fluid-mechanical instability: when air is injected into the narrow, liquid-filled gap between parallel rigid plates, the axisymmetrically expanding air-liquid interface tends to be unstable to non-axisymmetric disturbances. We show how the introduction of wall elasticity (via the replacement of the upper bounding plate by an elastic membrane) can weaken or even suppress the fingering instability by allowing changes in cell confinement through the flow-induced deflection of the boundary. The presence of a deformable boundary also makes the system prone to additional solid-mechanical instabilities, and these wrinkling instabilities can in turn enhance viscous fingering. The financial support of EPSRC and the Leverhulme Trust is gratefully acknowledged.

Instabilities in rapid directional solidification under weak flow

NASA Astrophysics Data System (ADS)

Kowal, Katarzyna N.; Davis, Stephen H.; Voorhees, Peter W.

2017-12-01

We examine a rapidly solidifying binary alloy under directional solidification with nonequilibrium interfacial thermodynamics viz. the segregation coefficient and the liquidus slope are speed dependent and attachment-kinetic effects are present. Both of these effects alone give rise to (steady) cellular instabilities, mode S , and a pulsatile instability, mode P . We examine how weak imposed boundary-layer flow of magnitude |V | affects these instabilities. For small |V | , mode S becomes a traveling and the flow stabilizes (destabilizes) the interface for small (large) surface energies. For small |V | , mode P has a critical wave number that shifts from zero to nonzero giving spatial structure. The flow promotes this instability and the frequencies of the complex conjugate pairs each increase (decrease) with flow for large (small) wave numbers. These results are obtained by regular perturbation theory in powers of V far from the point where the neutral curves cross, but requires a modified expansion in powers of V1 /3 near the crossing. A uniform composite expansion is then obtained valid for all small |V | .

Instabilities in wormlike micelle systems. From shear-banding to elastic turbulence.

PubMed

Fardin, M-A; Lerouge, S

2012-09-01

Shear-banding is ubiquitous in complex fluids. It is related to the organization of the flow into macroscopic bands bearing different viscosities and local shear rates and stacked along the velocity gradient direction. This flow-induced transition towards a heterogeneous flow state has been reported in a variety of systems, including wormlike micellar solutions, telechelic polymers, emulsions, clay suspensions, colloidal gels, star polymers, granular materials, or foams. In the past twenty years, shear-banding flows have been probed by various techniques, such as rheometry, velocimetry and flow birefringence. In wormlike micelle solutions, many of the data collected exhibit unexplained spatio-temporal fluctuations. Different candidates have been identified, the main ones being wall slip, interfacial instability between bands or bulk instability of one of the bands. In this review, we present experimental evidence for a purely elastic instability of the high shear rate band as the main origin for fluctuating shear-banding flows.

Droplet formation at the non-equilibrium water/water (w/w) interface

NASA Astrophysics Data System (ADS)

Chao, Youchuang; Mak, Sze Yi; Kong, Tiantian; Ding, Zijing; Shum, Ho Cheung

2017-11-01

The interfacial instability at liquid-liquid interfaces has been intensively studied in recent years due to their important role in nature and technology. Among them, two classic instabilities are Rayleigh-Taylor (RT) and double diffusive (DD) instabilities, which are practically relevant to many industrial processes, such as geologic CO2 sequestration. Most experimental and theoretical works have focused on RT or DD instability in binary systems. However, the study of such instability in complex systems, such as non-equilibrium ternary systems that involves mass-transfer-induced phase separation, has received less attention. Here, by using a ternary system known as the aqueous two-phase system (ATPS), we investigate experimentally the behavior of non-equilibrium water/water (w/w) interfaces in a vertically orientated Hele-Shaw cell. We observe that an array of fingers emerge at the w/w interface, and then break into droplets. We explore the instability using different concentrations of two aqueous phases. Our experimental findings are expected to inspire the mass production of all-aqueous emulsions in a simple setup.

The stability of two-phase flow over a swept-wing

NASA Technical Reports Server (NTRS)

Coward, Adrian; Hall, Philip

1994-01-01

We use numerical and asymptotic techniques to study the stability of a two-phase air/water flow above a flat porous plate. This flow is a model of the boundary layer which forms on a yawed cylinder and can be used as a useful approximation to the air flow over swept wings during heavy rainfall. We show that the interface between the water and air layers can significantly destabilize the flow, leading to traveling wave disturbances which move along the attachment line. This instability occurs for lower Reynolds numbers than in the case of the absence of a water layer. We also investigate the instability of inviscid stationary modes. We calculate the effective wavenumber and orientation of the stationary disturbance when the fluids have identical physical properties. Using perturbation methods we obtain corrections due to a small stratification in viscosity, thus quantifying the interfacial effects. Our analytical results are in agreement with the numerical solution which we obtain for arbitrary fluid properties.

Structural Evolution of Q-Carbon and Nanodiamonds

NASA Astrophysics Data System (ADS)

Gupta, Siddharth; Bhaumik, Anagh; Sachan, Ritesh; Narayan, Jagdish

2018-04-01

This article provides insights pertaining to the first-order phase transformation involved in the growth of densely packed Q-carbon and nanodiamonds by nanosecond laser melting and quenching of diamond-like carbon (DLC) thin films. DLC films with different sp 3 content were melted rapidly in a controlled way in super-undercooled state and quenched, leading to formation of distinct nanostructures, i.e., nanodiamonds, Q-carbon, and Q-carbon nanocomposites. This analysis provides direct evidence of the dependence of the super-undercooling on the structural evolution of Q-carbon. Finite element heat flow calculations showed that the super-undercooling varies monotonically with the sp 3 content. The phenomenon of solid-liquid interfacial instability during directional solidification from the melt state is studied in detail. The resulting lateral segregation leads to formation of cellular filamentary Q-carbon nanostructures. The dependence of the cell size and wavelength at the onset of instability on the sp 3 content of DLC thin films was modeled based on perturbation theory.

Comprehensive numerical methodology for direct numerical simulations of compressible Rayleigh-Taylor instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reckinger, Scott James; Livescu, Daniel; Vasilyev, Oleg V.

A comprehensive numerical methodology has been developed that handles the challenges introduced by considering the compressive nature of Rayleigh-Taylor instability (RTI) systems, which include sharp interfacial density gradients on strongly stratified background states, acoustic wave generation and removal at computational boundaries, and stratification-dependent vorticity production. The computational framework is used to simulate two-dimensional single-mode RTI to extreme late-times for a wide range of flow compressibility and variable density effects. The results show that flow compressibility acts to reduce the growth of RTI for low Atwood numbers, as predicted from linear stability analysis.

Effects of Convective Transport of Solute and Impurities on Defect-Causing Kinetics Instabilities in Protein Crystallization

NASA Technical Reports Server (NTRS)

Vekilov, Peter G.

2002-01-01

The objective of the proposed research is to obtain further insight into the onset and development of the defect-causing instabilities that anise due to the coupling of the bulk transport and nonlinear-interfacial kinetics during growth in the mixed regime, utilizing the reduction of the convective contribution to the bulk transport under microgravity. These studies will build upon the data on the effects of quantitative variations of the forced convection velocity on the averaged and time-dependent kinetic behavior of protein crystal growth systems that have recently been obtained in our laboratory.

Optimal contant time injection policy for enhanced oil recovery and characterization of optimal viscous profiles

NASA Astrophysics Data System (ADS)

Daripa, Prabir

2011-11-01

We numerically investigate the optimal viscous profile in constant time injection policy of enhanced oil recovery. In particular, we investigate the effect of a combination of interfacial and layer instabilities in three-layer porous media flow on the overall growth of instabilities and thereby characterize the optimal viscous profile. Results based on monotonic and non-monotonic viscous profiles will be presented. Time permitting. we will also present results on multi-layer porous media flows for Newtonian and non-Newtonian fluids and compare the results. The support of Qatar National Fund under a QNRF Grant is acknowledged.

Nonlinear oscillation and interfacial stability of an encapsulated microbubble under dual-frequency ultrasound

NASA Astrophysics Data System (ADS)

Calvisi, Michael; Liu, Yunqiao; Wang, Qianxi

2016-11-01

Encapsulated microbubbles (EMBs) are widely used in medical ultrasound imaging as contrast-enhanced agents. However, the potential damaging effects of violent, collapsing EMBs to cells and tissues in clinical practice have remained a concern. Dual-frequency ultrasound is a promising technique for improving the efficacy and safety of sonography. The EMB system modeled consists of the external liquid, membrane, and internal gases. The microbubble dynamics are simulated using a simple nonlinear interactive theory, considering the compressibility of the internal gas, viscosity of the liquid flow, and elasticity of the membrane. The radial oscillation and interfacial stability of an EMB under single and dual-frequency excitations are compared. The simulation results show that the dual-frequency technique produces larger backscatter pressure at higher harmonics of the primary driving frequency. This enriched acoustic spectrum can enhance blood-tissue contrast and improve sonographic image quality. The results further show that the acoustic pressure threshold associated with the onset of shape instability is greater for dual-frequency driving. This suggests that the dual-frequency technique stabilizes the EMB, thereby improving the efficacy and safety of contrast-enhanced agents.

The influence of interfacial defects on fast charge trapping in nanocrystalline oxide-semiconductor thin film transistors

NASA Astrophysics Data System (ADS)

Kim, Taeho; Hur, Jihyun; Jeon, Sanghun

2016-05-01

Defects in oxide semiconductors not only influence the initial device performance but also affect device reliability. The front channel is the major carrier transport region during the transistor turn-on stage, therefore an understanding of defects located in the vicinity of the interface is very important. In this study, we investigated the dynamics of charge transport in a nanocrystalline hafnium-indium-zinc-oxide thin-film transistor (TFT) by short pulse I-V, transient current and 1/f noise measurement methods. We found that the fast charging behavior of the tested device stems from defects located in both the front channel and the interface, following a multi-trapping mechanism. We found that a silicon-nitride stacked hafnium-indium-zinc-oxide TFT is vulnerable to interfacial charge trapping compared with silicon-oxide counterpart, causing significant mobility degradation and threshold voltage instability. The 1/f noise measurement data indicate that the carrier transport in a silicon-nitride stacked TFT device is governed by trapping/de-trapping processes via defects in the interface, while the silicon-oxide device follows the mobility fluctuation model.

Stability of Shapes Held by Surface Tension and Subjected to Flow

NASA Technical Reports Server (NTRS)

Chen, Yi-Ju; Robinson, Nathaniel D.; Steen, Paul H.

1999-01-01

Results of three problems are summarized in this contribution. Each involves the fundamental capillary instability of an interfacial bridge and is an extension of previous work. The first two problems concern equilibrium shapes of liquid bridges near the stability boundary corresponding to maximum length (Plateau-Rayleigh limit). For the first problem, a previously formulated nonlinear theory to account for imposed gravity and interfacial shear disturbances in an isothermal environment is quantitatively tested in experiment. For the second problem, the liquid bridge is subjected to a shear that models the effect of a thermocapillary flow generated by a ring heater in a liquid encapsulated float-zone configuration. In the absence of gravity, this symmetric perturbation can stabilize the bridge to lengths on the order of 30 percent beyond the Plateau-Rayleigh limit, which is on the order of heretofore unexplained Shuttle observations. The third problem considers the dynamics of collapse and pinchoff of a film bridge (no gravity), which happens in the absence of stabilization. Here, we summarize experimental efforts to measure the self-similar cone-and-crater structure predicted by a previous theory.

Patterns, Instabilities, Colors, and Flows in Vertical Foam Films

NASA Astrophysics Data System (ADS)

Yilixiati, Subinuer; Wojcik, Ewelina; Zhang, Yiran; Pearsall, Collin; Sharma, Vivek

2015-03-01

Foams find use in many applications in daily life, industry and biology. Examples include beverages, firefighting foam, cosmetics, foams for oil recovery and foams formed by pollutants. Foams are collection of bubbles separated by thin liquid films that are stabilized against drainage by the presence of surfactant molecules. Drainage kinetics and stability of the foam are strongly influenced by surfactant type, addition of particles, proteins and polymers. In this study, we utilize the thin film interference colors as markers for identifying patterns, instabilities and flows within vertical foam films. We experimentally study the emergence of thickness fluctuations near the borders and within thinning films, and study how buoyancy, capillarity and gravity driven instabilities and flows, are affected by variation in bulk and interfacial physicochemical properties dependent on the choice of constituents.

Numerical investigations on the characteristics of thermomagnetic instability in MgB2 bulks

NASA Astrophysics Data System (ADS)

Xia, Jing; Li, Maosheng; Zhou, Youhe

2017-07-01

This paper presents the characteristics of thermomagnetic instability in MgB2 bulks by numerically solving the macroscopic dynamics of thermomagnetic interaction governed by the coupled magnetic and heat diffusion equations in association with a modified E-J power-law relationship. The finite element method is used to discretize the system of partial differential equations. The calculated magnetization loops with flux jumps are consistent with the experimental results for MgB2 slabs bathed in a wide range of ambient temperatures. We reveal the evolution process of the thermomagnetic instability and present the distributions of the magnetic field, temperature, and current density before and after flux jumps. A 2D axisymmetric model is used to study the thermomagnetic instability in cylindrical MgB2 bulks. It is found that the number of flux jumps monotonously reduces as the ambient temperature rises and no flux jump appears when the ambient temperature exceeds a certain value. Moreover, the flux-jump phenomenon exists in a wide range of the ramp rate of the applied external field, i.e. 10-2-102 T s-1. Furthermore, the dependences of the first flux-jump field on the ambient temperature, ramp rate, and bulk thickness are investigated. The critical bulk thicknesses for stability are obtained for different ambient temperatures and sample radii. In addition, the influence of the capability of the interfacial heat transfer on the temporal response of the bulk temperature is discussed. We also find that the prediction of thermomagnetic instability is sensitive to the employment of the flux creep exponent in the simulations.

Initial conditions and modeling for simulations of shock driven turbulent material mixing

DOE PAGES

Grinstein, Fernando F.

2016-11-17

Here, we focus on the simulation of shock-driven material mixing driven by flow instabilities and initial conditions (IC). Beyond complex multi-scale resolution issues of shocks and variable density turbulence, me must address the equally difficult problem of predicting flow transition promoted by energy deposited at the material interfacial layer during the shock interface interactions. Transition involves unsteady large-scale coherent-structure dynamics capturable by a large eddy simulation (LES) strategy, but not by an unsteady Reynolds-Averaged Navier–Stokes (URANS) approach based on developed equilibrium turbulence assumptions and single-point-closure modeling. On the engineering end of computations, such URANS with reduced 1D/2D dimensionality and coarsermore » grids, tend to be preferred for faster turnaround in full-scale configurations.« less

Lubrication model for evaporation of binary sessile drops

NASA Astrophysics Data System (ADS)

Williams, Adam; Sáenz, Pedro; Karapetsas, George; Matar, Omar; Sefiane, Khellil; Valluri, Prashant

2017-11-01

Evaporation of a binary mixture sessile drop from a solid substrate is a highly dynamic and complex process with flow driven both thermal and solutal Marangoni stresses. Experiments on ethanol/water drops have identified chaotic regimes on both the surface and interior of the droplet, while mixture composition has also been seen to govern drop wettability. Using a lubrication-type approach, we present a finite element model for the evaporation of an axisymmetric binary drop deposited on a heated substrate. We consider a thin drop with a moving contact line, taking also into account the commonly ignored effects of inertia which drives interfacial instability. We derive evolution equations for the film height, the temperature and the concentration field considering that the mixture comprises two ideally mixed volatile components with a surface tension linearly dependent on both temperature and concentration. The properties of the mixture such as viscosity also vary locally with concentration. We explore the parameter space to examine the resultant effects on wetting and evaporation where we find qualitative agreement with experiments in both these areas. This enables us to understand the nature of the instabilities that spontaneously emerge over the drop lifetime. EPSRC - EP/K00963X/1.

Flow visualization study of grooved surface/surfactant/air sheet interaction

NASA Technical Reports Server (NTRS)

Reed, Jason C.; Weinstein, Leonard M.

1989-01-01

The effects of groove geometry, surfactants, and airflow rate have been ascertained by a flow-visualization study of grooved-surface models which addresses the possible conditions for skin friction-reduction in marine vehicles. It is found that the grooved surface geometry holds the injected bubble stream near the wall and, in some cases, results in a 'tube' of air which remains attached to the wall. It is noted that groove dimension and the use of surfactants can substantially affect the stability of this air tube; deeper grooves, surfactants with high contact angles, and angled air injection, are all found to increase the stability of the attached air tube, while convected disturbances and high shear increase interfacial instability.

Investigation of Body Force Effects on Flow Boiling Critical Heat Flux

NASA Technical Reports Server (NTRS)

Zhang, Hui; Mudawar, Issam; Hasan, Mohammad M.

2002-01-01

The bubble coalescence and interfacial instabilities that are important to modeling critical heat flux (CHF) in reduced-gravity systems can be sensitive to even minute body forces. Understanding these complex phenomena is vital to the design and safe implementation of two-phase thermal management loops proposed for space and planetary-based thermal systems. While reduced gravity conditions cannot be accurately simulated in 1g ground-based experiments, such experiments can help isolate the effects of the various forces (body force, surface tension force and inertia) which influence flow boiling CHF. In this project, the effects of the component of body force perpendicular to a heated wall were examined by conducting 1g flow boiling experiments at different orientations. FC-72 liquid was boiled along one wall of a transparent rectangular flow channel that permitted photographic study of the vapor-liquid interface at conditions approaching CHF. High-speed video imaging was employed to capture dominant CHF mechanisms. Six different CHF regimes were identified: Wavy Vapor Layer, Pool Boiling, Stratification, Vapor Counterflow, Vapor Stagnation, and Separated Concurrent Vapor Flow. CHF showed great sensitivity to orientation for flow velocities below 0.2 m/s, where very small CHF values where measured, especially with downflow and downward-facing heated wall orientations. High flow velocities dampened the effects of orientation considerably. Figure I shows representative images for the different CHF regimes. The Wavy Vapor Layer regime was dominant for all high velocities and most orientations, while all other regimes were encountered at low velocities, in the downflow and/or downward-facing heated wall orientations. The Interfacial Lift-off model was modified to predict the effects of orientation on CHF for the dominant Wavy Vapor Layer regime. The photographic study captured a fairly continuous wavy vapor layer travelling along the heated wall while permitting liquid contact only in wetting fronts, located in the troughs of the interfacial waves. CHF commenced when wetting fronts near the outlet were lifted off the wall. The Interfacial Lift-off model is shown to be an effective tool for predicting the effects of body force on CHF at high velocities.

Instabilities in dynamic anti-plane sliding of an elastic layer on a dissimilar elastic half-space

NASA Astrophysics Data System (ADS)

Kunnath, R.

2012-12-01

The stability of dynamic anti-plane sliding at an interface between an elastic layer and an elastic half-space with dissimilar elastic properties is studied. Friction at the interface is assumed to follow a rate- and state-dependent law, with a positive instantaneous dependence on slip velocity and a rate weakening behavior in the steady state. The perturbations are of the form exp(ikx+pt), where k is the wavenumber, x is the coordinate along the interface, p is the time response to the perturbation and t is time. The results of the stability analysis are shown in Figs. 1 and 2 with the velocity weakening parameter b/a=5, shear wave speed ratio cs'/cs=1.2, shear modulus ratio μ'/μ=1.2 and non-dimensional layer thickness H=100. The normalized instability growth rate and normalized phase velocity are plotted as a function of wavenumber. Fig.1 is for a non-dimensional unperturbed slip velocity ɛ=5 (rapid sliding) while Fig. 2 is for ɛ=0.05 (slow sliding). The results show the destabilization of interfacial waves. For slow sliding, destabilization of interfacial waves is still seen, indicating that the quasi-static approximation to slow sliding is not valid. This is in agreement with the result of Ranjith (Int. J. Solids and Struct., 2009, 46, 3086-3092) who predicted an instability of long-wavelength Love waves in slow sliding.

Contact lines are unstable even under non-splashing droplets

NASA Astrophysics Data System (ADS)

Pack, Min; Kaneelil, Paul; Sun, Ying

2017-11-01

Drop impact is fundamental to natural and industrial processes such as rain-induced soil erosion and spray coating technologies. In this study, we elucidate the interfacial instabilities formed by air entrainment at the wetting front of impacting droplets on atomically smooth, viscous silicone oil films of constant thickness with varying droplet velocity, viscosity, surface tension, and ambient pressures. A high-speed total internal reflection microscopy technique accounting for the Fresnel relations at the droplet interface allowed for in-situ measurements of an entrained air rim at the wetting front. The growth of the air rim is a prerequisite to the instability which is formed when the gas pressure balances the capillary pressure near the wetting front. A critical capillary number, which inversely scales as the ambient pressure, is predicted and the result agrees well with the experiments. The wavenumber in the instability is shown to increase with viscosity and velocity but decrease with surface tension of the impacting drop. We thus conclude that the instability mechanism is in qualitative agreement with the Saffman-Taylor instability - where the low viscosity air is displacing the higher viscosity droplet. The low We contact line instabilities observed in this study provide a paradigm shift in the conventional understanding of hydrodynamic instabilities under drop impact which usually require We >>10.

Formation of alternating interfacial layers in Au-12Ge/Ni joints

PubMed Central

Lin, Shih-kang; Tsai, Ming-yueh; Tsai, Ping-chun; Hsu, Bo-hsun

2014-01-01

Au-Ge alloys are promising materials for high-power and high-frequency packaging, and Ni is frequently used as diffusion barriers. This study investigates interfacial reactions in Au-12Ge/Ni joints at 300°C and 400°C. For the reactions at 300°C, typical interfacial morphology was observed and the diffusion path was (Au) + (Ge)/NiGe/Ni5Ge3/Ni. However, an interesting phenomenon – the formation of (Au,Ni,Ge)/NiGe alternating layers – was observed for the reactions at 400°C. The diffusion path across the interface was liquid/(Au,Ni,Ge)/NiGe/···/(Au,Ni,Ge)/NiGe/Ni2Ge/Ni. The periodic thermodynamic instability at the NiGe/Ni2Ge interface caused the subsequent nucleation of new (Au,Ni,Ge)/NiGe pairs. The thermodynamic foundation and mechanism of formation of the alternating layers are elaborated in this paper. PMID:24690992

Formation of curvature singularities on the interface between dielectric liquids in a strong vertical electric field.

PubMed

Kochurin, Evgeny A; Zubarev, Nikolay M; Zubareva, Olga V

2013-08-01

The nonlinear dynamics of the interface between two deep dielectric fluids in the presence of a vertical electric field is studied. We consider the limit of a strong external electric field where electrostatic forces dominate over gravitational and capillary forces. The nonlinear integrodifferential equations for the interface motion are derived under the assumption of small interfacial slopes. It is shown in the framework of these equations that, in the generic case, the instability development leads to the formation of root singularities at the interface in a finite time. The interfacial curvature becomes infinite at singular points, while the slope angles remain relatively small. The curvature is negative in the vicinity of singularities if the ratio of the permittivities of the fluids exceeds the inverse ratio of their densities, and it is positive in the opposite case (we consider that the lower fluid is heavier than the upper one). In the intermediate case, the interface evolution equations describe the formation and sharpening of dimples at the interface. The results obtained are applicable for the description of the instability of the interface between two magnetic fluids in a vertical magnetic field.

Numerical modeling of mineral dissolution - precipitation kinetics integrating interfacial processes

NASA Astrophysics Data System (ADS)

Azaroual, M. M.

2016-12-01

The mechanisms of mineral dissolution/precipitation are complex and interdependent. Within a same rock, the geochemical modelling may have to manage kinetic reactions with high ratios between the most reactive minerals (i.e., carbonates, sulfate salts, etc.) and less reactive minerals (i.e., silica, alumino-silicates, etc.). These ratios (higher than 10+6) induce numerical instabilities for calculating mass and energy transfers between minerals and aqueous phases at the appropriate scales of time and space. The current scientific debate includes: i) changes (or not) of the mineral reactive surface with the progress of the dissolution/precipitation reactions; ii) energy jumps (discontinuity) in the thermodynamic affinity function of some dissolution/precipitation reactions and iii) integration of processes at the "mineral - aqueous solution" interfaces for alumino-silicates, silica and carbonates. In recent works dealing with the specific case of amorphous silica, measurements were performed on nano-metric cross-sections indicating the presence of surface layer between the bulk solution and the mineral. This thin layer is composed by amorphous silica and hydrated silica "permeable" to the transfer of water and ionic chemical constituents. The boundary/interface between the initial mineral and the silica layer is characterized by a high concentration jump of chemical products at the nanoscale and some specific interfacial dissolution/precipitation processes.In this study, the results of numerical simulations dealing with different mechanisms of silicate and carbonate dissolution/precipitation reactions and integrating interfacial processes will be discussed. The application of this approach to silica precipitation is based on laboratory experiments and it highlights the significant role of the "titration" surface induced by surface complexation reactions in the determination of the kinetics of precipitation.

Wavelength selection in injection-driven Hele-Shaw flows: A maximum amplitude criterion

NASA Astrophysics Data System (ADS)

Dias, Eduardo; Miranda, Jose

2013-11-01

As in most interfacial flow problems, the standard theoretical procedure to establish wavelength selection in the viscous fingering instability is to maximize the linear growth rate. However, there are important discrepancies between previous theoretical predictions and existing experimental data. In this work we perform a linear stability analysis of the radial Hele-Shaw flow system that takes into account the combined action of viscous normal stresses and wetting effects. Most importantly, we introduce an alternative selection criterion for which the selected wavelength is determined by the maximum of the interfacial perturbation amplitude. The effectiveness of such a criterion is substantiated by the significantly improved agreement between theory and experiments. We thank CNPq (Brazilian Sponsor) for financial support.

Direct handling of sharp interfacial energy for microstructural evolution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hernández–Rivera, Efraín; Tikare, Veena; Noirot, Laurence

In this study, we introduce a simplification to the previously demonstrated hybrid Potts–phase field (hPPF), which relates interfacial energies to microstructural sharp interfaces. The model defines interfacial energy by a Potts-like discrete interface approach of counting unlike neighbors, which we use to compute local curvature. The model is compared to the hPPF by studying interfacial characteristics and grain growth behavior. The models give virtually identical results, while the new model allows the simulator more direct control of interfacial energy.

Direct handling of sharp interfacial energy for microstructural evolution

DOE PAGES

Hernández–Rivera, Efraín; Tikare, Veena; Noirot, Laurence; ...

2014-08-24

In this study, we introduce a simplification to the previously demonstrated hybrid Potts–phase field (hPPF), which relates interfacial energies to microstructural sharp interfaces. The model defines interfacial energy by a Potts-like discrete interface approach of counting unlike neighbors, which we use to compute local curvature. The model is compared to the hPPF by studying interfacial characteristics and grain growth behavior. The models give virtually identical results, while the new model allows the simulator more direct control of interfacial energy.

Long-Wavelength Rupturing Instability in Surface-Tension-Driven Benard Convection

NASA Technical Reports Server (NTRS)

Swift, J. B.; Hook, Stephen J. Van; Becerril, Ricardo; McCormick, W. D.; Swinney, H. L.; Schatz, Michael F.

1999-01-01

A liquid layer with a free upper surface and heated from below is subject to thermocapillary-induced convective instabilities. We use very thin liquid layers (0.01 cm) to significantly reduce buoyancy effects and simulate Marangoni convection in microgravity. We observe thermocapillary-driven convection in two qualitatively different modes, short-wavelength Benard hexagonal convection cells and a long-wavelength interfacial rupturing mode. We focus on the long-wavelength mode and present experimental observations and theoretical analyses of the long-wavelength instability. Depending on the depths and thermal conductivities of the liquid and the gas above it, the interface can rupture downwards and form a dry spot or rupture upwards and form a high spot. Linear stability theory gives good agreement to the experimental measurements of onset as long as sidewall effects are taken into account. Nonlinear theory correctly predicts the subcritical nature of the bifurcation and the selection between the dry spot and high spots.

Elastic instability in stratified core annular flow.

PubMed

Bonhomme, Oriane; Morozov, Alexander; Leng, Jacques; Colin, Annie

2011-06-01

We study experimentally the interfacial instability between a layer of dilute polymer solution and water flowing in a thin capillary. The use of microfluidic devices allows us to observe and quantify in great detail the features of the flow. At low velocities, the flow takes the form of a straight jet, while at high velocities, steady or advected wavy jets are produced. We demonstrate that the transition between these flow regimes is purely elastic--it is caused by the viscoelasticity of the polymer solution only. The linear stability analysis of the flow in the short-wave approximation supplemented with a kinematic criterion captures quantitatively the flow diagram. Surprisingly, unstable flows are observed for strong velocities, whereas convected flows are observed for low velocities. We demonstrate that this instability can be used to measure the rheological properties of dilute polymer solutions that are difficult to assess otherwise.

Nonlinear oscillation and interfacial stability of an encapsulated microbubble under dual-frequency ultrasound

NASA Astrophysics Data System (ADS)

Liu, Yunqiao; Calvisi, Michael L.; Wang, Qianxi

2017-04-01

Encapsulated microbubbles (EMBs) are widely used in medical ultrasound imaging as contrast-enhanced agents. However, the potential damaging effects of violent collapsing EMBs to cells and tissues in clinical settings have remained a concern. Dual-frequency ultrasound is a promising technique for improving the efficacy and safety of sonography. The system modeled consists of the external liquid, membrane and internal gases of an EMB. The microbubble dynamics are simulated using a simple nonlinear interactive theory, considering the compressibility of the internal gas, viscosity of the liquid flow and viscoelasticity of the membrane. The radial oscillation and interfacial stability of an EMB under single- and dual-frequency excitations are compared. The simulation results show that the dual-frequency technique produces larger backscatter pressure at higher harmonics of the primary driving frequency—this enriched acoustic spectrum can enhance blood-tissue contrast and improve the quality of sonographic images. The results further show that the acoustic pressure threshold associated with the onset of shape instability is greater for dual-frequency driving. This suggests that the dual-frequency technique stabilizes the encapsulated bubble, thereby improving the efficacy and safety of contrast-enhanced agents.

Bias temperature instability in tunnel field-effect transistors

NASA Astrophysics Data System (ADS)

Mizubayashi, Wataru; Mori, Takahiro; Fukuda, Koichi; Ishikawa, Yuki; Morita, Yukinori; Migita, Shinji; Ota, Hiroyuki; Liu, Yongxun; O'uchi, Shinichi; Tsukada, Junichi; Yamauchi, Hiromi; Matsukawa, Takashi; Masahara, Meishoku; Endo, Kazuhiko

2017-04-01

We systematically investigated the bias temperature instability (BTI) of tunnel field-effect transistors (TFETs). The positive BTI and negative BTI mechanisms in TFETs are the same as those in metal-oxide-semiconductor FETs (MOSFETs). In TFETs, although traps are generated in high-k gate dielectrics by the bias stress and/or the interface state is degraded at the interfacial layer/channel interface, the threshold voltage (V th) shift due to BTI degradation is caused by the traps and/or the degradation of the interface state locating the band-to-band tunneling (BTBT) region near the source/gate edge. The BTI lifetime in n- and p-type TFETs is improved by applying a drain bias corresponding to the operation conditions.

Interfacial instability of amorphous LiPON against lithium: A combined Density Functional Theory and spectroscopic study

NASA Astrophysics Data System (ADS)

Sicolo, Sabrina; Fingerle, Mathias; Hausbrand, René; Albe, Karsten

2017-06-01

The chemical instability of the glassy solid electrolyte LiPON against metallic lithium and the occurrence of side reactions at their interface is investigated by combining a surface science approach and quantum-mechanical calculations. Using an evolutionary structure search followed by a melt-quenching protocol, a model for the disordered structure of LiPON is generated and put into contact with lithium. Even the static optimization of a simple model interface suggests that the diffusion of lithium into LiPON is driven by a considerable driving force that could easily take place under experimental conditions. Calculated reaction energies indicate that the reduction and decomposition of LiPON is thermodynamically favorable. By monitoring the evolution of the LiPON core levels as a function of lithium exposure, the disruption of the LiPON network alongside the occurrence of new phases is observed. The direct comparison between UV photoelectron spectroscopy measurements and calculated electronic densities of states for increasing stages of lithiation univocally identifies the new phases as Li2O, Li3P and Li3N. These products are stable against Li metal and form a passivation layer which shields the electrolyte from further decomposition while allowing for the diffusion of Li ions.

Negative bias-and-temperature stress-assisted activation of oxygen-vacancy hole traps in 4H-silicon carbide metal-oxide-semiconductor field-effect transistors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ettisserry, D. P., E-mail: deva@umd.edu, E-mail: neil@umd.edu; Goldsman, N., E-mail: deva@umd.edu, E-mail: neil@umd.edu; Akturk, A.

We use hybrid-functional density functional theory-based Charge Transition Levels (CTLs) to study the electrical activity of near-interfacial oxygen vacancies located in the oxide side of 4H-Silicon Carbide (4H-SiC) power Metal-Oxide-Semiconductor Field-Effect Transistors (MOSFETs). Based on the “amorphousness” of their local atomic environment, oxygen vacancies are shown to introduce their CTLs either within (permanently electrically active) or outside of (electrically inactive) the 4H-SiC bandgap. The “permanently electrically active” centers are likely to cause threshold voltage (V{sub th}) instability at room temperature. On the other hand, we show that the “electrically inactive” defects could be transformed into various “electrically active” configurations undermore » simultaneous application of negative bias and high temperature stresses. Based on this observation, we present a model for plausible oxygen vacancy defects that could be responsible for the recently observed excessive worsening of V{sub th} instability in 4H-SiC power MOSFETs under high temperature-and-gate bias stress. This model could also explain the recent electrically detected magnetic resonance observations in 4H-SiC MOSFETs.« less

Interface Instabilities in the Interstellar Medium

NASA Technical Reports Server (NTRS)

Hunter, J. H., Jr.; Siopis, C.; Whitaker, R. W.; Lovelace, R. V. E.

1995-01-01

In the present communication, we reexamine two limiting cases of star-forming mechanisms involving self-gravity, thermodynamics, and velocity fields, that we believe must be ubiquitous in the ISM -- the generally oblique collision of supersonic gas streams or turbulent eddies. The general case of oblique collisions has not yet been examined. However, two limiting cases have been studied in detail: (1) The head-on collision of two identical gas streams that form dense, cool accretion shocks that become unstable and may form Jeans mass clouds, which subsequently undergo collapse. (2) Linearly unstable tangential velocity discontinuities, which result in Kelvin-Helmholtz (K-H) instabilities and related phenomena. The compressible K-H instabilities exhibit rich and unexpected behaviors. Moreover a new thermal-dynamic (T-D) mode was discovered that arises from the coupling of the perturbed thermal behavior and the unperturbed flow. The T-D mode has the curious characteristic that it may be strongly unstable to interface modes when the global modes in either medium are absolutely thermally stable. In the present communication additional models of case 1 are described and discussed, and self-gravity is added in the linear theory of tangential discontinuities, case 2. We prove that self-gravity fundamentally changes the behavior of interfacial modes -- density discontinuities (or steps) are inherently unstable on roughly the free-fall timescale of the denser medium to perturbations of all wavelengths.

Measurement of Interfacial Profiles of Wavy Film Flow on Inclined Wall

NASA Astrophysics Data System (ADS)

Rosli, N.; Amagai, K.

2016-02-01

Falling liquid films on inclined wall present in many industrial processes such as in food processing, seawater desalination and electronic devices manufacturing industries. In order to ensure an optimal efficiency of the operation in these industries, a fundamental study on the interfacial flow profiles of the liquid film is of great importance. However, it is generally difficult to experimentally predict the interfacial profiles of liquid film flow on inclined wall due to the instable wavy flow that usually formed on the liquid film surface. In this paper, the liquid film surface velocity was measured by using a non-intrusive technique called as photochromic dye marking method. This technique utilizes the color change of liquid containing the photochromic dye when exposed to the UV light source. The movement of liquid film surface marked by the UV light was analyzed together with the wave passing over the liquid. As a result, the liquid film surface was found to slightly shrink its gradual movement when approached by the wave before gradually move again after the intersection with the wave.

Chemical demulsification of petroleum emulsions using oil-soluable demulsifiers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krawczyk, M.A.; Wasan, D.T.; Shetty, C.S.

1991-02-01

This paper investigates the factors affecting the coalescence and interfacial behavior of water- in-crude-oil emulsions in the presence of oil-soluble demulsifiers. The emulsion-breaking characteristics and interfacial properties of East Texas Crude and a model system were compared. The variation of interfacial tension with demulsifier concentration for the model system was ascertained by measuring the interfacial tensions between the oil and water phase. Interfacial activity, adsorption kinetics, and partitioning were shown to be the most important parameters governing demulsifier performance. A conceptual model of drop-drop coalescence process in demulsification was presented which indicates that the interfacial activity of the demulsifier mustmore » be high enough to suppress the interfacial tension gradient. This accelerates the rate of film drainage, thus promoting coalescence.« less

The Constrained Vapor Bubble Experiment - Interfacial Flow Region

NASA Technical Reports Server (NTRS)

Kundan, Akshay; Wayner, Peter C., Jr.; Plawsky, Joel L.

2015-01-01

Internal heat transfer coefficient of the CVB correlated to the presence of the interfacial flow region. Competition between capillary and Marangoni flow caused Flooding and not a Dry-out region. Interfacial flow region growth is arrested at higher power inputs. 1D heat model confirms the presence of interfacial flow region. 1D heat model confirms the arresting phenomena of interfacial flow region Visual observations are essential to understanding.

An improved interfacial bonding model for material interface modeling

PubMed Central

Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

2016-01-01

An improved interfacial bonding model was proposed from potential function point of view to investigate interfacial interactions in polycrystalline materials. It characterizes both attractive and repulsive interfacial interactions and can be applied to model different material interfaces. The path dependence of work-of-separation study indicates that the transformation of separation work is smooth in normal and tangential direction and the proposed model guarantees the consistency of the cohesive constitutive model. The improved interfacial bonding model was verified through a simple compression test in a standard hexagonal structure. The error between analytical solutions and numerical results from the proposed model is reasonable in linear elastic region. Ultimately, we investigated the mechanical behavior of extrafibrillar matrix in bone and the simulation results agreed well with experimental observations of bone fracture. PMID:28584343

Two-Fluid Models and Interfacial Area Transport in Microgravity Condition

NASA Technical Reports Server (NTRS)

Ishii, Mamoru; Sun, Xiao-Dong; Vasavada, Shilp

2004-01-01

The objective of the present study is to develop a two-fluid model formulation with interfacial area transport equation applicable for microgravity conditions. The new model is expected to make a leapfrog improvement by furnishing the constitutive relations for the interfacial interaction terms with the interfacial area transport equation, which can dynamically model the changes of the interfacial structures. In the first year of this three-year project supported by the U.S. NASA, Office of Biological and Physics Research, the primary focus is to design and construct a ground-based, microgravity two-phase flow simulation facility, in which two immiscible fluids with close density will be used. In predicting the two-phase flow behaviors in any two-phase flow system, the interfacial transfer terms are among the most essential factors in the modeling. These interfacial transfer terms in a two-fluid model specify the rate of phase change, momentum exchange, and energy transfer at the interface between the two phases. For the two-phase flow under the microgravity condition, the stability of the fluid particle interface and the interfacial structures are quite different from those under normal gravity condition. The flow structure may not reach an equilibrium condition and the two fluids may be loosely coupled such that the inertia terms of each fluid should be considered separately by use of the two-fluid model. Previous studies indicated that, unless phase-interaction terms are accurately modeled in the two-fluid model, the complex modeling does not necessarily warrant an accurate solution.

Understanding the destabilizing role for surface tension in planar shear flows in terms of wave interaction

NASA Astrophysics Data System (ADS)

Biancofiore, L.; Heifetz, E.; Hoepffner, J.; Gallaire, F.

2017-10-01

Both surface tension and buoyancy force in stable stratification act to restore perturbed interfaces back to their initial positions. Hence, both are intuitively considered as stabilizing agents. Nevertheless, the Taylor-Caulfield instability is a counterexample in which the presence of buoyancy forces in stable stratification destabilize shear flows. An explanation for this instability lies in the fact that stable stratification supports the existence of gravity waves. When two vertically separated gravity waves propagate horizontally against the shear, they may become phase locked and amplify each other to form a resonance instability. Surface tension is similar to buoyancy but its restoring mechanism is more efficient at small wavelengths. Here, we show how a modification of the Taylor-Caulfield configuration, including two interfaces between three stably stratified immiscible fluids, supports interfacial capillary gravity whose interaction yields resonance instability. Furthermore, when the three fluids have the same density, an instability arises solely due to a pure counterpropagating capillary wave resonance. The linear stability analysis predicts a maximum growth rate of the pure capillary wave instability for an intermediate value of surface tension corresponding to We-1=5 , where We denotes the Weber number. We perform direct numerical nonlinear simulation of this flow and find nonlinear destabilization when 2 ≤We-1≤10 , in good agreement with the linear stability analysis. The instability is present also when viscosity is introduced, although it is gradually damped and eventually quenched.

Study on interfacial stability and internal flow of a droplet levitated by ultrasonic wave.

PubMed

Abe, Yutaka; Yamamoto, Yuji; Hyuga, Daisuke; Awazu, Shigeru; Aoki, Kazuyoshi

2009-04-01

For a microgravity environment, new and high-quality material is expected to be manufactured. However, the effect of surface instability and the internal flow become significant when the droplet becomes large. Elucidation of internal flow and surface instability on a levitated droplet is required for the quality improvement of new material manufacturing in a microgravity environment. The objectives of this study are to clarify the interfacial stability and internal flow of a levitated droplet. Surface instability and internal flow are investigated with a large droplet levitated by the ultrasonic acoustic standing wave. The experiment with a large droplet is conducted both under normal gravity and microgravity environments. In the experiment, at first, the characteristics of the levitated droplet are investigated; that is, the relationships among the levitated droplet diameter, the droplet aspect ratio, the displacement of the antinode of the standing wave, and the sound pressure are experimentally measured. As a result, it is clarified that the levitated droplet tends to be located at an optimal position with an optimal shape and diameter. Second, the border condition between the stable and the unstable levitation of the droplet is evaluated by using the existing stability theory. The experimental results qualitatively agree with the theory. It is suggested that the stability of the droplet can be evaluated with the stability theory. Finally, multidimensional visual measurement is conducted to investigate the internal flow structure in a levitated droplet. It is suggested that complex flow with the vortex is generated in the levitated droplet. Moreover, the effect of physical properties of the test fluid on the internal flow structure of the levitated droplet is investigated. As a result, the internal flow structure of the levitated droplet is affected by the surface tension and viscosity.

Thin film instabilities: Rayleigh-Taylor with thermocapillarity and Kolmogorov flow in a soap film

NASA Astrophysics Data System (ADS)

Burgess, John Matthew

The Rayleigh-Taylor instability occurs when a more dense fluid layer is suspended above a less dense fluid layer in a gravitational field. The horizontal interface between the two fluids is unstable to infinitesimal deformations and the dense fluid falls. To counteract the destabilizing effects of gravity on the interface between two thin fluid layers, we apply a vertical temperature gradient, heating from below. The dependence of surface tension on temperature (``thermocapillarity'') can cause spatially-varying interfacial forces between two immiscible fluid layers if a variation in temperature along the interface is introduced. With an applied vertical temperature gradient, the deforming interface spontaneously develops temperature variations which locally adjust the surface tension to restore a flat interface. We find that these surface tension gradients can stabilize a more dense thin fluid layer (silicone oil, 0.015 cm thick) above a less dense thin fluid layer (air, 0.025 cm thick) in a gravitational field, in qualitative agreement with linear stability analysis. This is the first experimental observation of the stabilization of Rayleigh-Taylor instability by thermocapillary forces. We also examine the instability of a soap film flow driven by a time-independent force that is spatially periodic in the direction perpendicular to the forcing (Kolmogorov flow). The film is in the x- y plane, where the forcing approximates a shape sin (y)x̂. Linear stability analysis of an idealized model of this flow predicts a critical Reynolds number Rc~2 . In our soap film experiment, we find a critical value Rc~70 . This discrepancy can be ascribed to frictional effects from viscous coupling of gas to the film, which is neglected in the idealized model. The kinematic viscosity of the surrounding gas and the thickness of gas layers on each side of the soap film are varied in the experiments to better understand these frictional effects. We conclude that flows in soap films cannot be decoupled from flows in the surrounding gas.

Nanoscale multiphase phase field approach for stress- and temperature-induced martensitic phase transformations with interfacial stresses at finite strains

NASA Astrophysics Data System (ADS)

Basak, Anup; Levitas, Valery I.

2018-04-01

A thermodynamically consistent, novel multiphase phase field approach for stress- and temperature-induced martensitic phase transformations at finite strains and with interfacial stresses has been developed. The model considers a single order parameter to describe the austenite↔martensitic transformations, and another N order parameters describing N variants and constrained to a plane in an N-dimensional order parameter space. In the free energy model coexistence of three or more phases at a single material point (multiphase junction), and deviation of each variant-variant transformation path from a straight line have been penalized. Some shortcomings of the existing models are resolved. Three different kinematic models (KMs) for the transformation deformation gradient tensors are assumed: (i) In KM-I the transformation deformation gradient tensor is a linear function of the Bain tensors for the variants. (ii) In KM-II the natural logarithms of the transformation deformation gradient is taken as a linear combination of the natural logarithm of the Bain tensors multiplied with the interpolation functions. (iii) In KM-III it is derived using the twinning equation from the crystallographic theory. The instability criteria for all the phase transformations have been derived for all the kinematic models, and their comparative study is presented. A large strain finite element procedure has been developed and used for studying the evolution of some complex microstructures in nanoscale samples under various loading conditions. Also, the stresses within variant-variant boundaries, the sample size effect, effect of penalizing the triple junctions, and twinned microstructures have been studied. The present approach can be extended for studying grain growth, solidifications, para↔ferro electric transformations, and diffusive phase transformations.

An adsorption model for the superheat at the critical heat flux

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reyes, R.; Wayner, P.C. Jr.

1995-08-01

The evaluation of the superheat at the critical heat flux (CHF) is a problem of considerable importance to the field of change-of-phase heat transfer. As demonstrated in the recent reviews by Katto and Bergles and in a descriptive paper by Unal et al., there has been extensive prior research on the CHF. In these studies, the following descriptive modeling terms affirm the complex transport processes occurring at CHF: macrolayer, microlayer, apparent contact angle, real contact angle, spreading, dry patch, instability, vapor mushrooms, and interfacial conditions. In order to simplify the analyses of these phenomena, we focus herein on a moremore » tractable model, which emphasizes a characteristic thickness in the contact line region at the vapor-liquid-solid junction, which would be present in the thinnest portion of an evaporating microlayer. A schematic drawing of this region is presented in Fig. 1 for a nonisothermal completely wetting system. This is the region where the substrate dries out in the hot spot hypothesis. The solid substrate is modeled as having an adsorbed ultrathin layer of liquid with a thickness {delta}, which is a function of the superheat and the interfacial force field. The characteristic thickness, {delta}{sub 0}, can (but does not have to) be of the order of a monolayer or less. Therefore, in the region x < 0, the film can be discontinuous and fill in {open_quotes}depressions{close_quotes} on a {open_quotes}rough{close_quotes} surface. Herein, a model of the physically indistinct contact line region, which varies spatially and fluctuates at the molecular level, is used to develop a predictive equation for the average value of the superheat that can be evaluated macroscopically. 9 refs., 2 figs., 1 tab.« less

Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velikovich, A. L.; Schmit, P. F.

Bell-Plesset (BP) effects account for the influence of global convergence or divergence of the fluid flow on the evolution of the interfacial perturbations embedded in the flow. The development of the Rayleigh-Taylor instability in radiation-driven spherical capsules and magnetically-driven cylindrical liners necessarily includes a significant contribution from BP effects due to the time dependence of the radius, velocity, and acceleration of the unstable surfaces or interfaces. An analytical model is presented that, for an ideal incompressible fluid and small perturbation amplitudes, exactly evaluates the BP effects in finite-thickness shells through acceleration and deceleration phases. The time-dependent dispersion equations determining themore » “instantaneous growth rate” are derived. It is demonstrated that by integrating this approximate growth rate over time, one can accurately evaluate the number of perturbation e-foldings during the inward acceleration phase of the implosion. In the limit of small shell thickness, exact thin-shell perturbation equations and approximate thin-shell dispersion equations are obtained, generalizing the earlier results [E. G. Harris, Phys. Fluids 5, 1057 (1962); E. Ott, Phys. Rev. Lett. 29, 1429 (1972); A. B. Bud'ko et al., Phys. Fluids B 2, 1159 (1990)].« less

Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Velikovich, A. L.; Schmit, P. F.

Bell-Plesset (BP) effects account for the influence of global convergence or divergence of the fluid flow on the evolution of the interfacial perturbations embedded in the flow. The development of the Rayleigh-Taylor instability in radiation-driven spherical capsules and magnetically-driven cylindrical liners necessarily includes a significant contribution from BP effects due to the time dependence of the radius, velocity, and acceleration of the unstable surfaces or interfaces. An analytical model is presented that, for an ideal incompressible fluid and small perturbation amplitudes, exactly evaluates the BP effects in finite-thickness shells through acceleration and deceleration phases. The time-dependent dispersion equations determining themore » “instantaneous growth rate” are derived. It is demonstrated that by integrating this approximate growth rate over time, one can accurately evaluate the number of perturbation e-foldings during the inward acceleration phase of the implosion. As a result, in the limit of small shell thickness, exact thin-shell perturbationequations and approximate thin-shell dispersion equations are obtained, generalizing the earlier results [E. G. Harris, Phys. Fluids 5, 1057 (1962); E. Ott, Phys. Rev. Lett. 29, 1429 (1972); A. B. Bud'ko et al., Phys. Fluids B 2, 1159 (1990)].« less

Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells

DOE PAGES

Velikovich, A. L.; Schmit, P. F.

2015-12-28

Bell-Plesset (BP) effects account for the influence of global convergence or divergence of the fluid flow on the evolution of the interfacial perturbations embedded in the flow. The development of the Rayleigh-Taylor instability in radiation-driven spherical capsules and magnetically-driven cylindrical liners necessarily includes a significant contribution from BP effects due to the time dependence of the radius, velocity, and acceleration of the unstable surfaces or interfaces. An analytical model is presented that, for an ideal incompressible fluid and small perturbation amplitudes, exactly evaluates the BP effects in finite-thickness shells through acceleration and deceleration phases. The time-dependent dispersion equations determining themore » “instantaneous growth rate” are derived. It is demonstrated that by integrating this approximate growth rate over time, one can accurately evaluate the number of perturbation e-foldings during the inward acceleration phase of the implosion. As a result, in the limit of small shell thickness, exact thin-shell perturbationequations and approximate thin-shell dispersion equations are obtained, generalizing the earlier results [E. G. Harris, Phys. Fluids 5, 1057 (1962); E. Ott, Phys. Rev. Lett. 29, 1429 (1972); A. B. Bud'ko et al., Phys. Fluids B 2, 1159 (1990)].« less

The behavior of vapor bubbles during boiling enhanced with acoustics and open microchannels

NASA Astrophysics Data System (ADS)

Boziuk, Thomas; Smith, Marc K.; Glezer, Ari

2012-11-01

Boiling heat transfer on a submerged heated surface is enhanced by combining a grid of surface micromachined open channels and ultrasonic acoustic actuation to control the formation and evolution of vapor bubbles and to inhibit the instability that leads to film boiling at the critical heat flux (CHF). The microchannels provide nucleation sites for vapor bubble formation and enable the entrainment of bulk subcooled fluid to these sites for sustained evaporation. Acoustic actuation excites interfacial oscillations of the detached bubbles and leads to accelerated condensation in the bulk fluid, thereby limiting the formation of vapor columns that precede the CHF instability. The combined effects of microchannels and acoustic actuation are investigated experimentally with emphasis on bubble nucleation, growth, detachment, and condensation. It is shown that this hybrid approach leads to a significant increase in the critical heat flux, a reduction of the vapor mass above the surface, and the breakup of low-frequency vapor slug formation. A large-scale model of the microchannel grid reveals details of the flow near the nucleation site and shows that the presence of the microchannels decreases the surface superheat at a given heat flux. Supported by ONR.

Bell-Plesset effects in Rayleigh-Taylor instability of finite-thickness spherical and cylindrical shells

NASA Astrophysics Data System (ADS)

Velikovich, A. L.; Schmit, P. F.

2015-12-01

Bell-Plesset (BP) effects account for the influence of global convergence or divergence of the fluid flow on the evolution of the interfacial perturbations embedded in the flow. The development of the Rayleigh-Taylor instability in radiation-driven spherical capsules and magnetically-driven cylindrical liners necessarily includes a significant contribution from BP effects due to the time dependence of the radius, velocity, and acceleration of the unstable surfaces or interfaces. An analytical model is presented that, for an ideal incompressible fluid and small perturbation amplitudes, exactly evaluates the BP effects in finite-thickness shells through acceleration and deceleration phases. The time-dependent dispersion equations determining the "instantaneous growth rate" are derived. It is demonstrated that by integrating this approximate growth rate over time, one can accurately evaluate the number of perturbation e-foldings during the inward acceleration phase of the implosion. In the limit of small shell thickness, exact thin-shell perturbation equations and approximate thin-shell dispersion equations are obtained, generalizing the earlier results [E. G. Harris, Phys. Fluids 5, 1057 (1962); E. Ott, Phys. Rev. Lett. 29, 1429 (1972); A. B. Bud'ko et al., Phys. Fluids B 2, 1159 (1990)].

Experimental study on interfacial area transport in downward two-phase flow

NASA Astrophysics Data System (ADS)

Wang, Guanyi

In view of the importance of two group interfacial area transport equations and lack of corresponding accurate downward flow database that can reveal two group interfacial area transport, a systematic database for adiabatic, air-water, vertically downward two-phase flow in a round pipe with inner diameter of 25.4 mm was collected to gain an insight of interfacial structure and provide benchmarking data for two-group interfacial area transport models. A four-sensor conductivity probe was used to measure the local two phase flow parameters and data was collected with data sampling frequency much higher than conventional data sampling frequency to ensure the accuracy. Axial development of local flow parameter profiles including void fraction, interfacial area concentration, and Sauter mean diameter were presented. Drastic inter-group transfer of void fraction and interfacial area was observed at bubbly to slug transition flow. And the wall peaked interfacial area concentration profiles were observed in churn-turbulent flow. The importance of local data about these phenomenon on flow structure prediction and interfacial area transport equation benchmark was analyzed. Bedsides, in order to investigate the effect of inlet conditions, all experiments were repeated after installing the flow straightening facility, and the results were briefly analyzed. In order to check the accuracy of current data, the experiment results were cross-checked with rotameter measurement as well as drift-flux model prediction, the averaged error is less than 15%. Current models for two-group interfacial area transport equation were evaluated using these data. The results show that two-group interfacial area transport equations with current models can predict most flow conditions with error less than 20%, except some bubbly to slug transition flow conditions and some churn-turbulent flow conditions. The disagreement between models and experiments could result from underestimate of inter-group void transfer.

Interfacial instability of wormlike micellar solutions sheared in a Taylor-Couette cell

NASA Astrophysics Data System (ADS)

Mohammadigoushki, Hadi; Muller, Susan J.

2014-11-01

We report experiments on wormlike micellar solutions sheared in a custom-made Taylor-Couette (TC) cell. The computer controlled TC cell allows us to rotate both cylinders independently. Wormlike micellar solutions containing water, CTAB, and NaNo3 with different compositions are highly elastic and exhibit shear banding. We visualized the flow field in the θ-z as well as r-z planes, using multiple cameras. When subject to low shear rates, the flow is stable and azimuthal, but becomes unstable above a certain threshold shear rate. This shear rate coincides with the onset of shear banding. Visualizing the θ-z plane shows that this instability is characterized by stationary bands equally spaced in the z direction. Increasing the shear rate results to larger wave lengths. Above a critical shear rate, experiments reveal a chaotic behavior reminiscent of elastic turbulence. We also studied the effect of ramp speed on the onset of instability and report an acceleration below which the critical Weissenberg number for onset of instability is unaffected. Moreover, visualizations in the r-z direction reveals that the interface between the two bands undulates with shear bands evolving towards the outer cylinder regardless of which cylinder is rotating.

Anisotropic Swelling and Fracture of Silicon Nanowires during Lithiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Xiao Hua; Zheng, He; Zhong, Li

2011-08-10

We report direct observation of an unexpected anisotropic swelling of Si nanowires during lithiation against either a solid electrolyte with a lithium counter-electrode or a liquid electrolyte with a LiCoO2 counter-electrode. Such anisotropic expansion is attributed to the interfacial processes of accommodating large volumetric strains at the lithiation reaction front that depend sensitively on the crystallographic orientation. This anisotropic swelling results in lithiated Si nanowires with a remarkable dumbbell-shaped cross section, which develops due to plastic flow and an ensuing necking instability that is induced by the tensile hoop stress buildup in the lithiated shell. The plasticity-driven morphological instabilities oftenmore » lead to fracture in lithiated nanowires, now captured in video. These results provide important insight into the battery degradation mechanisms.« less

Investigations of the Rayleigh-Taylor and Richtmyer-Meshkov Instabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riccardo Bonazza; Mark Anderson; Jason Oakley

2008-03-14

The present program is centered on the experimental study of shock-induced interfacial fluid instabilities. Both 2-D (near-sinusoids) and 3-D (spheres) initial conditions are studied in a large, vertical square shock tube facility. The evolution of the interface shape, its distortion, the modal growth rates and the mixing of the fluids at the interface are all objectives of the investigation. In parallel to the experiments, calculations are performed using the Raptor code, on platforms made available by LLNL. These flows are of great relevance to both ICF and stockpile stewardship. The involvement of four graduate students is in line with themore » national laboratories' interest in the education of scientists and engineers in disciplines and technologies consistent with the labs' missions and activities.« less

Investigation of the Richtmyer-Meshkov instability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Riccardo Bonazza; Mark Anderson; Jason Oakley

2008-12-22

The present program is centered on the experimental study of shock-induced interfacial fluid instabilities. Both 2-D (near-sinusoids) and 3-D (spheres) initial conditions are studied in a large, vertical square shock tube facility. The evolution of the interface shape, its distortion, the modal growth rates and the mixing of the fluids at the interface are all objectives of the investigation. In parallel to the experiments, calculations are performed using the Raptor code, on platforms made available by LLNL. These flows are of great relevance to both ICF and stockpile stewardship. The involvement of three graduate students is in line with themore » national laboratories' interest in the education of scientists and engineers in disciplines and technologies consistent with the labs' missions and activities.« less

Development of a Front Tracking Method for Two-Phase Micromixing of Incompressible Viscous Fluids with Interfacial Tension in Solvent Extraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Yijie; Lim, Hyun-Kyung; de Almeida, Valmor F

2012-06-01

This progress report describes the development of a front tracking method for the solution of the governing equations of motion for two-phase micromixing of incompressible, viscous, liquid-liquid solvent extraction processes. The ability to compute the detailed local interfacial structure of the mixture allows characterization of the statistical properties of the two-phase mixture in terms of droplets, filaments, and other structures which emerge as a dispersed phase embedded into a continuous phase. Such a statistical picture provides the information needed for building a consistent coarsened model applicable to the entire mixing device. Coarsening is an undertaking for a future mathematical developmentmore » and is outside the scope of the present work. We present here a method for accurate simulation of the micromixing dynamics of an aqueous and an organic phase exposed to intense centrifugal force and shearing stress. The onset of mixing is the result of the combination of the classical Rayleigh- Taylor and Kelvin-Helmholtz instabilities. A mixing environment that emulates a sector of the annular mixing zone of a centrifugal contactor is used for the mathematical domain. The domain is small enough to allow for resolution of the individual interfacial structures and large enough to allow for an analysis of their statistical distribution of sizes and shapes. A set of accurate algorithms for this application requires an advanced front tracking approach constrained by the incompressibility condition. This research is aimed at designing and implementing these algorithms. We demonstrate verification and convergence results for one-phase and unmixed, two-phase flows. In addition we report on preliminary results for mixed, two-phase flow for realistic operating flow parameters.« less

Segregation of impurities at γ' (L12) / γ (fcc) interfaces in a Ni-based superalloy

NASA Astrophysics Data System (ADS)

Tafen, De Nyago; Gao, Michael

2011-03-01

One of the most technologically advanced energy conversion devices is the gas turbine used in aerospace jet engines and gas- fired land-based turbines for electricity generation, fabricated from Ni-based superalloys. However, these materials lack of long- term mechanical and microstructure stability, which is largely due to an excessive coarsening of γ ' that can cause substantial loss of creep resistance and mechanical instability at high temperatures. Theoretical prediction of the creep rate of these important compounds is very imperative, but yet is extremely challenging. Interfacial energy is one of the most important factors that control the coarsening kinetics of these important phases. It indirectly determines the creep resistance of the alloy through the coarsening rate of the strengthening precipitate phase. In this talk, we will present the results of various γ ' / γ interfaces of a Ni-based superalloy obtained using DFT calculations. Then, we will discuss the segregation of impurities at these interfaces. Minor alloying elements in superalloys can alter the interfacial energy between γ and γ ' , and change the strength behavior of the alloy. Alloying elements or impurity species can segregate to interfaces. A favorable segregation would result in enhancing the interfacial cohesion and thus lower the energy.

Tuning the competition between ferromagnetism and antiferromagnetism in a half-doped manganite through magnetoelectric coupling.

PubMed

Yi, Di; Liu, Jian; Okamoto, Satoshi; Jagannatha, Suresha; Chen, Yi-Chun; Yu, Pu; Chu, Ying-Hao; Arenholz, Elke; Ramesh, R

2013-09-20

We investigate the possibility of controlling the magnetic phase transition of the heterointerface between a half-doped manganite La(0.5)Ca(0.5)MnO(3) and a multiferroic BiFeO(3) (BFO) through magnetoelectric coupling. Using macroscopic magnetometry and element-selective x-ray magnetic circular dichroism at the Mn and Fe L edges, we discover that the ferroelectric polarization of BFO controls simultaneously the magnetization of BFO and La(0.5)Ca(0.5)MnO(3) (LCMO). X-ray absorption spectra at the oxygen K edge and linear dichroism at the Mn L edge suggest that the interfacial coupling is mainly derived from the superexchange between Mn and Fe t(2g) spins. The combination of x-ray absorption spectroscopy and mean-field theory calculations reveals that the d-electron modulation of Mn cations changes the magnetic coupling in LCMO, which controls the enhanced canted moments of interfacial BFO via the interfacial coupling. Our results demonstrate that the competition between ferromagnetic and antiferromagnetic instability can be modulated by an electric field at the heterointerface, providing another pathway for the electrical field control of magnetism.

Modulating DNA configuration by interfacial traction: an elastic rod model to characterize DNA folding and unfolding.

PubMed

Huang, Zaixing

2011-01-01

As a continuum model of DNA, a thin elastic rod subjected to interfacial interactions is used to investigate the equilibrium configuration of DNA in intracellular solution. The interfacial traction between the rod and the solution environment is derived in detail. Kirchhoff's theory of elastic rods is used to analyze the equilibrium configuration of a DNA segment under the action of the interfacial traction. The influences of the interfacial energy factor and bending stiffness on the toroidal spool formation of the DNA segment are discussed. The results show that the equilibrium configuration of DNA is mainly determined by competition between the interfacial energy and elastic strain energy of the DNA itself, and the interfacial traction is one of the forces that drives DNA folding and unfolding.

Interfacial adsorption in two-dimensional pure and random-bond Potts models.

PubMed

Fytas, Nikolaos G; Theodorakis, Panagiotis E; Malakis, Anastasios

2017-03-01

We use Monte Carlo simulations to study the finite-size scaling behavior of the interfacial adsorption of the two-dimensional square-lattice q-states Potts model. We consider the pure and random-bond versions of the Potts model for q=3,4,5,8, and 10, thus probing the interfacial properties at the originally continuous, weak, and strong first-order phase transitions. For the pure systems our results support the early scaling predictions for the size dependence of the interfacial adsorption at both first- and second-order phase transitions. For the disordered systems, the interfacial adsorption at the (disordered induced) continuous transitions is discussed, applying standard scaling arguments and invoking findings for bulk critical properties. The self-averaging properties of the interfacial adsorption are also analyzed by studying the infinite limit-size extrapolation of properly defined signal-to-noise ratios.

Interfacial properties of hydrosoluble polymers. Final report, June 15, 1993--June 15, 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

1996-12-31

During this period, the authors treated a myriad of problems associated with the interfacial properties of macromolecules. Many of them concerned indirect interactions between surfaces engendered by intervening species. The issues ranged from colloidal forces to membrane induced coupling between embedded macromolecules (membrane-bound proteins). This report presents summaries of the following papers published as a result of this study: membrane interactions with polymers and colloids; escape transitions and force laws for compressed polymer mushrooms; interaction between finite-sized particles and end grafted polymers; one long chain among shorter chains--the Flory approach revisited; conformation of star polymers in high molecular weight solvents;more » membrane-induced interactions between inclusions; filled polymer brushes--a hydrodynamic analogy; polymer adsorption at liquid/air interfaces under lateral pressure; flow induced instability of the interface between a fluid and a gel at low Reynolds number; and fluctuation-induced forces in stacked fluid membranes.« less

Predicting the mixed-mode I/II spatial damage propagation along 3D-printed soft interfacial layer via a hyperelastic softening model

NASA Astrophysics Data System (ADS)

Liu, Lei; Li, Yaning

2018-07-01

A methodology was developed to use a hyperelastic softening model to predict the constitutive behavior and the spatial damage propagation of nonlinear materials with damage-induced softening under mixed-mode loading. A user subroutine (ABAQUS/VUMAT) was developed for numerical implementation of the model. 3D-printed wavy soft rubbery interfacial layer was used as a material system to verify and validate the methodology. The Arruda - Boyce hyperelastic model is incorporated with the softening model to capture the nonlinear pre-and post- damage behavior of the interfacial layer under mixed Mode I/II loads. To characterize model parameters of the 3D-printed rubbery interfacial layer, a series of scarf-joint specimens were designed, which enabled systematic variation of stress triaxiality via a single geometric parameter, the slant angle. It was found that the important model parameter m is exponentially related to the stress triaxiality. Compact tension specimens of the sinusoidal wavy interfacial layer with different waviness were designed and fabricated via multi-material 3D printing. Finite element (FE) simulations were conducted to predict the spatial damage propagation of the material within the wavy interfacial layer. Compact tension experiments were performed to verify the model prediction. The results show that the model developed is able to accurately predict the damage propagation of the 3D-printed rubbery interfacial layer under complicated stress-state without pre-defined failure criteria.

Compressible instability of rapidly expanding spherical material interfaces

NASA Astrophysics Data System (ADS)

Mankbadi, Mina Reda

The focus herein is on the instability of a material interface formed during an abrupt release of concentrated energy as in detonative combustion, explosive dispersals, and inertial-confinement fusion. These applications are modeled as a spherical shock-tube in which high-pressure gas initially contained in a small spherical shell is suddenly released. A forward-moving shock and an inward-moving secondary shock are formed, and between them a material interface develops that separates high-density fluid from the low-density one. The wrinkling of this interface controls mixing and energy release. The interface's stability is studied with and without the inclusion of metalized particulates. A numerical scheme is developed to discretize the full nonlinear equations of the base flow, and the 3D linearized perturbed flow equations. Linearization is followed by spherical harmonic decomposition of the disturbances, thereby reducing the 3D computational domain to one-dimensional radial domain. The 3D physical nature of the disturbances is maintained throughout the procedure. An extended Roe-Pike scheme coupled with a WENO scheme is developed to capture the discontinuities and accurately predict the disturbances. In Chapter 2, the contact interface's stability is analyzed in the inviscid single-phase. The disturbances grow exponentially and the growth rate is insensitive to the radial initial-disturbance profile. For wave numbers less than 100, the results are in accordance with previous theories but clarify that compressibility reduces the growth rate. Unlike the classical RTI, the growth rate reaches saturation at high wavenumbers. The parametric studies show that for specific ratios of initial pressure and temperature, the instability can be eliminated altogether. Chapter 3 discusses the full effects of viscosity and thermal diffusivity. Although Prandtl number effects are minimal, viscous effects dampen the high-wave numbers. For a given Reynolds number there is a peak wave number at which the disturbances are most amplified. In Chapter 4, the multiphase case with metalized particles is investigated. The quasi steady gas-particle interaction forces and heat transfer decelerate the contact interface and reduce its Atwood number, which results in reducing the growth of the interfacial instabilities. A parametric study of the multiphase instability is presented to assist in controlling the instability.

On the stabilizing role of species diffusion in chemical enhanced oil recovery

NASA Astrophysics Data System (ADS)

Daripa, Prabir; Gin, Craig

2015-11-01

In this talk, the speaker will discuss a problem on the stability analysis related to the effect of species diffusion on stabilization of fingering in a Hele-Shaw model of chemical enhanced oil recovery. The formulation of the problem is motivated by a specific design principle of the immiscible interfaces in the hope that this will lead to significant stabilization of interfacial instabilities, there by improving oil recovery in the context of porous media flow. Testing the merits of this hypothesis poses some challenges which will be discussed along with some numerical results based on current formulation of this problem. Several open problems in this context will be discussed. This work is currently under progress. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

Phase-field-based multiple-relaxation-time lattice Boltzmann model for incompressible multiphase flows.

PubMed

Liang, H; Shi, B C; Guo, Z L; Chai, Z H

2014-05-01

In this paper, a phase-field-based multiple-relaxation-time lattice Boltzmann (LB) model is proposed for incompressible multiphase flow systems. In this model, one distribution function is used to solve the Chan-Hilliard equation and the other is adopted to solve the Navier-Stokes equations. Unlike previous phase-field-based LB models, a proper source term is incorporated in the interfacial evolution equation such that the Chan-Hilliard equation can be derived exactly and also a pressure distribution is designed to recover the correct hydrodynamic equations. Furthermore, the pressure and velocity fields can be calculated explicitly. A series of numerical tests, including Zalesak's disk rotation, a single vortex, a deformation field, and a static droplet, have been performed to test the accuracy and stability of the present model. The results show that, compared with the previous models, the present model is more stable and achieves an overall improvement in the accuracy of the capturing interface. In addition, compared to the single-relaxation-time LB model, the present model can effectively reduce the spurious velocity and fluctuation of the kinetic energy. Finally, as an application, the Rayleigh-Taylor instability at high Reynolds numbers is investigated.

Interfacial liquid water on Mars and its potential role in formation of hill and dune gullies

NASA Astrophysics Data System (ADS)

Kossacki, Konrad J.; Markiewicz, Wojciech J.

2010-11-01

Gullies are among the most intriguing structures identified on the surface of Mars. Most common are gullies located on the slopes of craters which are probably formed by liquid water transported by shallow aquifers (Heldmann, J.L., Carlsson, E., Johansson, H., Mellon, M.T., Toon, O.B. [2007]. Icarus 188, 324-344). Two particular types of gullies are found on slopes of isolated hills and dunes. The hill-slope gullies are located mostly at 50°S, which is at the high end of latitudes of bulk of the gullies found so far. The dune gullies are found in several locations up to 65°S (Reiss, D., Jaumann, R., Kereszturi, A., Sik, A., Neukum, G. [2007]. Lunar Planet. Sci. XXXVIII. Abstract 1993), but the best known are those in Russel crater at 54°S. The hill and dune gullies are longer than others making the aquifers explanation for their formation unlikely (Balme, M., Mangold, N., Baratoux, D., Costard, F., Gosselin, M., Masson, P., Pnet, P., Neukum, G. [2006]. J. Geophys. Res. 111. doi:10.1029/2005JE002607). Recently it has been noted that thin liquid films of interfacial water can play a role in rheological processes on the surface of Mars (Moehlmann, D. [2008]. Icarus 195, 131-139. Kereszturi, A., Moehlmann, D., Berczi, Sz., Ganti, T., Kuti, A., Sik, A., Horvath, A. [2009]. Icarus 201, 492-503.). Here we try to answer the question whether interfacial liquid water may occur on Mars in quantities large enough to play a role in formation of gullies. To verify this hypothesis we have calculated thermal models for hills and dunes of various steepness, orientation and physical properties. We find that within a range of average expected values of parameters it is not possible to have more than a few monolayers of liquid water at depths greater than a centimeter. To create subsurface interfacial water film significantly thicker and hence to produce conditions for the slope instability, parameters have to be chosen to have their extreme realistic values or an additional source of surface heating is needed. One possibility for additional heating is a change of atmospheric conditions due to a local dust storm. We conclude that if interfacial water is responsible for the formation of the hill-slope gullies, our results may explain why the hill gullies are rare.

Incorporating interfacial phenomena in solidification models

NASA Technical Reports Server (NTRS)

Beckermann, Christoph; Wang, Chao Yang

1994-01-01

A general methodology is available for the incorporation of microscopic interfacial phenomena in macroscopic solidification models that include diffusion and convection. The method is derived from a formal averaging procedure and a multiphase approach, and relies on the presence of interfacial integrals in the macroscopic transport equations. In a wider engineering context, these techniques are not new, but their application in the analysis and modeling of solidification processes has largely been overlooked. This article describes the techniques and demonstrates their utility in two examples in which microscopic interfacial phenomena are of great importance.

Computational Modeling of Interfacial Behaviors in Nanocomposite Materials

PubMed Central

Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

2017-01-01

Towards understanding the bulk material response in nanocomposites, an interfacial zone model was proposed to define a variety of material interface behaviors (e.g. brittle, ductile, rubber-like, elastic-perfectly plastic behavior etc.). It also has the capability to predict bulk material response though independently control of the interface properties (e.g. stiffness, strength, toughness). The mechanical response of granular nanocomposite (i.e. nacre) was investigated through modeling the “relatively soft” organic interface as an interfacial zone among “hard” mineral tablets and simulation results were compared with experimental measurements of stress-strain curves in tension and compression tests. Through modeling varies material interfaces, we found out that the bulk material response of granular nanocomposite was regulated by the interfacial behaviors. This interfacial zone model provides a possible numerical tool for qualitatively understanding of structure-property relationships through material interface design. PMID:28983123

Improved Gate Dielectric Deposition and Enhanced Electrical Stability for Single-Layer MoS2 MOSFET with an AlN Interfacial Layer.

PubMed

Qian, Qingkai; Li, Baikui; Hua, Mengyuan; Zhang, Zhaofu; Lan, Feifei; Xu, Yongkuan; Yan, Ruyue; Chen, Kevin J

2016-06-09

Transistors based on MoS2 and other TMDs have been widely studied. The dangling-bond free surface of MoS2 has made the deposition of high-quality high-k dielectrics on MoS2 a challenge. The resulted transistors often suffer from the threshold voltage instability induced by the high density traps near MoS2/dielectric interface or inside the gate dielectric, which is detrimental for the practical applications of MoS2 metal-oxide-semiconductor field-effect transistor (MOSFET). In this work, by using AlN deposited by plasma enhanced atomic layer deposition (PEALD) as an interfacial layer, top-gate dielectrics as thin as 6 nm for single-layer MoS2 transistors are demonstrated. The AlN interfacial layer not only promotes the conformal deposition of high-quality Al2O3 on the dangling-bond free MoS2, but also greatly enhances the electrical stability of the MoS2 transistors. Very small hysteresis (ΔVth) is observed even at large gate biases and high temperatures. The transistor also exhibits a low level of flicker noise, which clearly originates from the Hooge mobility fluctuation instead of the carrier number fluctuation. The observed superior electrical stability of MoS2 transistor is attributed to the low border trap density of the AlN interfacial layer, as well as the small gate leakage and high dielectric strength of AlN/Al2O3 dielectric stack.

Pore-scale discretisation limits of multiphase lattice-Boltzmann methods

NASA Astrophysics Data System (ADS)

Li, Z.; Middleton, J.; Varslot, T.; Sheppard, A.

2015-12-01

Lattice-Boltzmann (LB) modeling is a popular method for the numerical solution of the Navier-Stokes equations and several multi-component LB models are widely used to simulate immiscible two-phase fluid flow in porous media. However, there has been relatively little study of the models' ability to make optimal use of 3D imagery by considering the minimum number of grid points that are needed to represent geometric features such as pore throats. This is of critical importance since 3D images of geological samples are a compromise between resolution and field of view. In this work we explore the discretisation limits of LB models, their behavior near these limits, and the consequences of this behavior for simulations of drainage and imbibition. We quantify the performance of two commonly used multiphase LB models: Shan-Chen (SC) and Rothman-Keller (RK) models in a set of tests, including simulations of bubbles in bulk fluid, on flat surfaces, confined in flat/tilted tubes, and fluid invasion into single tubes. Simple geometries like these allow better quantification of model behavior and better understanding of breakdown mechanisms. In bulk fluid, bubble radii less than 2.5 grid units (image voxels) cause numerical instability in SC model; the RK model is stable to a radius of 2.5 units and below, but with poor agreement with the Laplace's law. When confined to a flat duct, the SC model can simulate similar radii to RK model, but with higher interface spurious currents than the RK model and some risk of instability. In tilted ducts with 'staircase' voxel-level roughness, the SC model seems to average the roughness, whereas for RK model only the 'peaks' of the surface are relevant. Overall, our results suggest that LB models can simulate fluid capillary pressure corresponding to interfacial radii of just 1.5 grid units, with the RK model exhibiting significantly better stability.

Manipulation and control of instabilities for surfactant-laden liquid film flowing down an inclined plane using a deformable solid layer

NASA Astrophysics Data System (ADS)

Tomar, Dharmendra S.; Sharma, Gaurav

2018-01-01

We analyzed the linear stability of surfactant-laden liquid film with a free surface flowing down an inclined plane under the action of gravity when the inclined plane is coated with a deformable solid layer. For a flow past a rigid incline and in the presence of inertia, the gas-liquid (GL) interface is prone to the free surface instability and the presence of surfactant is known to stabilize the free surface mode when the Marangoni number increases above a critical value. The rigid surface configuration also admits a surfactant induced Marangoni mode which remains stable for film flows with a free surface. This Marangoni mode was observed to become unstable for a surfactant covered film flow past a flexible inclined plane in a creeping flow limit when the wall is made sufficiently deformable. In view of these observations, we investigate the following two aspects. First, what is the effect of inertia on Marangoni mode instability induced by wall deformability? Second, and more importantly, whether it is possible to use a deformable solid coating to obtain stable flow for the surfactant covered film for cases when the Marangoni number is below the critical value required for stabilization of free surface instability. In order to explore the first question, we continued the growth rates for the Marangoni mode from the creeping flow limit to finite Reynolds numbers (Re) and observed that while the increase in Reynolds number has a small stabilizing effect on growth rates, the Marangoni mode still remains unstable for finite Reynolds numbers as long as the wall is sufficiently deformable. The Marangoni mode remains the dominant mode for zero and small Reynolds numbers until the GL mode also becomes unstable with the increase in Re. Thus, for a given set of parameters and beyond a critical Re, there is an exchange of dominant mode of instability from the Marangoni to free surface GL mode. With respect to the second important aspect, our results clearly demonstrate that for cases when the stabilizing contribution of surfactant is not sufficient for suppressing GL mode instability, a deformable solid coating could be employed to suppress free surface instability without triggering Marangoni or liquid-solid interfacial modes. Specifically, we have shown that for a given solid thickness, as the shear modulus of the solid layer decreases (i.e., the solid becomes more deformable) the GL mode instability is suppressed. With further decrease in shear modulus, the Marangoni and liquid-solid interfacial modes become unstable. Thus, there exists a stability window in terms of shear modulus where the surfactant-laden film flow remains stable even when the Marangoni number is below the critical value required for free surface instability suppression. Further, when the Marangoni number is greater than the critical value so that the GL mode remains stable in the rigid limit or with the deformable wall, the increase in wall deformability or solid thickness triggers Marangoni mode instability and, thus, renders a stable flow configuration into an unstable one. Thus, we show that the soft solid layer can be used to manipulate and control the stability of surfactant-laden film flows.

Structure, Nanomechanics and Dynamics of Dispersed Surfactant-Free Clay Nanocomposite Films

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Zhao, Jing; Snyder, Chad; Karim, Alamgir; National Institute of Standards; Technology Collaboration

Natural Montmorillonite particles were dispersed as tactoids in thin films of polycaprolactone (PCL) through a flow coating technique assisted by ultra-sonication. Wide angle X-ray scattering (WAXS), Grazing-incidence wide angle X-ray scattering (GI-WAXS), and transmission electron microscopy (TEM) were used to confirm the level of dispersion. These characterization techniques are in conjunction with its nanomechanical properties via strain-induced buckling instability for modulus measurements (SIEBIMM), a high throughput technique to characterize thin film mechanical properties. The linear strengthening trend of the elastic modulus enhancements was fitted with Halpin-Tsai (HT) model, correlating the nanoparticle geometric effects and mechanical behaviors based on continuum theories. The overall aspect ratio of dispersed tactoids obtained through HT model fitting is in reasonable agreement with digital electron microscope image analysis. Moreover, glass transition behaviors of the composites were characterized using broadband dielectric relaxation spectroscopy. The segmental relaxation behaviors indicate that the associated mechanical property changes are due to the continuum filler effect rather than the interfacial confinement effect.

A Theoretical Review on Interfacial Thermal Transport at the Nanoscale.

PubMed

Zhang, Ping; Yuan, Peng; Jiang, Xiong; Zhai, Siping; Zeng, Jianhua; Xian, Yaoqi; Qin, Hongbo; Yang, Daoguo

2018-01-01

With the development of energy science and electronic technology, interfacial thermal transport has become a key issue for nanoelectronics, nanocomposites, energy transmission, and conservation, etc. The application of thermal interfacial materials and other physical methods can reliably improve the contact between joined surfaces and enhance interfacial thermal transport at the macroscale. With the growing importance of thermal management in micro/nanoscale devices, controlling and tuning the interfacial thermal resistance (ITR) at the nanoscale is an urgent task. This Review examines nanoscale interfacial thermal transport mainly from a theoretical perspective. Traditional theoretical models, multiscale models, and atomistic methodologies for predicting ITR are introduced. Based on the analysis and summary of the factors that influence ITR, new methods to control and reduce ITR at the nanoscale are described in detail. Furthermore, the challenges facing interfacial thermal management and the further progress required in this field are discussed. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Salinity effects during immiscible displacement in porous media: electrokinetic stabilization of viscous fingering

NASA Astrophysics Data System (ADS)

Mirzadeh, Mohammad; Bazant, Martin

2017-11-01

Interfacial instabilities are ubiquitous in Fluid Mechanics and have been one of the main the subjects of pattern formation. However, these instabilities could lead to inefficiencies which are undesired in many applications. For instance, viscous fingering results in residual trapping of oil during secondary recovery when a low-viscosity fluid, e.g. water, is used for injection. In their seminal work, Saffman and Taylor showed that the onset of this instability is controlled by the viscosity ratio of the two fluids. However, other physiochemical processes could enhance or suppress viscous fingering. Here we consider the role of salinity effects on the front stability. Our recent theory suggests that viscous fingering could be controlled, and even suppressed, by appropriately injecting electric currents. However, even in the absence of any external currents, strong electrokinetic coupling (present in small pores when the electric double layers overlap) can reduce viscous fingering by increasing the ``effective viscosity'' of the injected fluid. These findings suggest that it might be possible to improve extraction efficiencies by appropriately controlling the salt concentration of the injected fluid.

Dynamic Modeling Strategy for Flow Regime Transition in Gas-Liquid Two-Phase Flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xia Wang; Xiaodong Sun; Benjamin Doup

In modeling gas-liquid two-phase flows, the concept of flow regimes has been widely used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are flow regime dependent. Current nuclear reactor safety analysis codes, such as RELAP5, classify flow regimes using flow regime maps or transition criteria that were developed for steady-state, fully-developed flows. As twophase flows are dynamic in nature, it is important to model the flow regime transitions dynamically to more accurately predict the two-phase flows. The present workmore » aims to develop a dynamic modeling strategy to determine flow regimes in gas-liquid two-phase flows through introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation of the interfacial area, fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation, and the destruction of the interfacial area, fluid particle coalescence and condensation. For flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shapes, namely group-1 and group-2 bubbles. A preliminary approach to dynamically identify the flow regimes is discussed, in which discriminator s are based on the predicted information, such as the void fraction and interfacial area concentration. The flow regime predicted with this method shows good agreement with the experimental observations.« less

Combinatorial screening of organic electronic materials: thin film stability

NASA Astrophysics Data System (ADS)

Chattopadhyay, Santanu; Carson Meredith, J.

2005-01-01

Dewetting of thin polymeric semiconducting-insulating (and conducting-insulating) bilayers is a serious fundamental problem facing the fabrication of organic electronic devices such as transistors, light-emitting diodes and supercapacitors. This paper describes a high-throughput characterization method that utilizes orthogonal thickness-gradient libraries of the bilayer components poly(3-octylthiophene) (semiconductor) and poly(styrene) (insulator). The technique allows simultaneous observation of hundreds of combinations of thicknesses and has permitted rapid discovery of a previously-unknown VDW instability transition. We observe that the onset of VDW instability in the PS-P3OT bilayer is a complex function of P3OT thickness that cannot be predicted by Hamaker constant models for free energy. At low P3OT thickness, the semiconductor acts to stabilize the PS insulator. But above a P3OT thickness of 175 nm, this behaviour is switched and P3OT destabilizes the PS. These thickness-dependent effects are correlated very well with dramatic transitions in P3OT optical spectra and the P3OT-AFM tip interaction forces. This unusual behaviour places critical limitations on practical device thicknesses and interfacial combinations, and points to the need for a thin-film stability theory that accounts for thickness-dependent molecular-electronic effects.

Interfacial instability of wormlike micellar solutions sheared in a Taylor-Couette cell

NASA Astrophysics Data System (ADS)

Mohammadigoushki, Hadi; Muller, Susan J.

2014-10-01

We report experiments on wormlike micellar solutions sheared in a custom-made Taylor-Couette (TC) cell. The computer controlled TC cell allows us to rotate both cylinders independently. Wormlike micellar solutions containing water, CTAB, and NaNo3 with different compositions are highly elastic and exhibit shear banding within a range of shear rate. We visualized the flow field in the θ-z as well as r-z planes, using multiple cameras. When subject to low shear rates, the flow is stable and azimuthal, but becomes unstable above a certain threshold shear rate. This shear rate coincides with the onset of shear banding. Visualizing the θ-z plane shows that this instability is characterized by stationary bands equally spaced in the z direction. Increasing the shear rate results to larger wave lengths. Above a critical shear rate, experiments reveal a chaotic behavior reminiscent of elastic turbulence. We also studied the effect of ramp speed on the onset of instability and report an acceleration below which the critical Weissenberg number for onset of instability is unaffected. Moreover, visualizations in the r-z direction reveals that the interface between the two bands undulates. The shear band evolves towards the outer cylinder upon increasing the shear rate, regardless of which cylinder is rotating.

Report on Microgravity Experiments of Dynamic Surface Deformation Effects on Marangoni Instability in High-Prandtl-Number Liquid Bridges

NASA Astrophysics Data System (ADS)

Yano, Taishi; Nishino, Koichi; Matsumoto, Satoshi; Ueno, Ichiro; Komiya, Atsuki; Kamotani, Yasuhiro; Imaishi, Nobuyuki

2018-04-01

This paper reports an overview and some important results of microgravity experiments called Dynamic Surf, which have been conducted on board the International Space Station from 2013 to 2016. The present project mainly focuses on the relations between the Marangoni instability in a high-Prandtl-number (Pr= 67 and 112) liquid bridge and the dynamic free surface deformation (DSD) as well as the interfacial heat transfer. The dynamic free surface deformations of large-scale liquid bridges (say, for diameters greater than 10 mm) are measured with good accuracy by an optical imaging technique. It is found that there are two causes of the dynamic free surface deformation in the present study: the first is the time-dependent flow behavior inside the liquid bridge due to the Marangoni instability, and the second is the external disturbance due to the residual acceleration of gravity, i.e., g-jitter. The axial distributions of DSD along the free surface are measured for several conditions. The critical parameters for the onset of oscillatory Marangoni convection are also measured for various aspect ratios (i.e., relative height to the diameter) of the liquid bridge and various thermal boundary conditions. The characteristics of DSD and the onset conditions of instability are discussed in this paper.

Unsteady Crystal Growth Due to Step-Bunch Cascading

NASA Technical Reports Server (NTRS)

Vekilov, Peter G.; Lin, Hong; Rosenberger, Franz

1997-01-01

Based on our experimental findings of growth rate fluctuations during the crystallization of the protein lysozym, we have developed a numerical model that combines diffusion in the bulk of a solution with diffusive transport to microscopic growth steps that propagate on a finite crystal facet. Nonlinearities in layer growth kinetics arising from step interaction by bulk and surface diffusion, and from step generation by surface nucleation, are taken into account. On evaluation of the model with properties characteristic for the solute transport, and the generation and propagation of steps in the lysozyme system, growth rate fluctuations of the same magnitude and characteristic time, as in the experiments, are obtained. The fluctuation time scale is large compared to that of step generation. Variations of the governing parameters of the model reveal that both the nonlinearity in step kinetics and mixed transport-kinetics control of the crystallization process are necessary conditions for the fluctuations. On a microscopic scale, the fluctuations are associated with a morphological instability of the vicinal face, in which a step bunch triggers a cascade of new step bunches through the microscopic interfacial supersaturation distribution.

Ring waves as a mass transport mechanism in air-driven core-annular flows.

PubMed

Camassa, Roberto; Forest, M Gregory; Lee, Long; Ogrosky, H Reed; Olander, Jeffrey

2012-12-01

Air-driven core-annular fluid flows occur in many situations, from lung airways to engineering applications. Here we study, experimentally and theoretically, flows where a viscous liquid film lining the inside of a tube is forced upwards against gravity by turbulent airflow up the center of the tube. We present results on the thickness and mean speed of the film and properties of the interfacial waves that develop from an instability of the air-liquid interface. We derive a long-wave asymptotic model and compare properties of its solutions with those of the experiments. Traveling wave solutions of this long-wave model exhibit evidence of different mass transport regimes: Past a certain threshold, sufficiently large-amplitude waves begin to trap cores of fluid which propagate upward at wave speeds. This theoretical result is then confirmed by a second set of experiments that show evidence of ring waves of annular fluid propagating over the underlying creeping flow. By tuning the parameters of the experiments, the strength of this phenomenon can be adjusted in a way that is predicted qualitatively by the model.

Seal glass compatibility with bare and (Mn,Co) 3O 4 coated Crofer 22 APU alloy in different atmospheres

NASA Astrophysics Data System (ADS)

Mahapatra, M. K.; Lu, K.

To prevent gas mixing and leakage during solid oxide fuel/electrolyzer cell operation, the interconnect/seal glass interface should bond well and remain stable. A SrO-La 2O 3-Al 2O 3-SiO 2 (SABS-0) seal glass has been bonded to bare Crofer 22 APU alloy and (Mn,Co) 3O 4 coated Crofer 22 APU alloy. The stability of the interconnect/SABS-0 interface has been studied in air and H 2/H 2O atmospheres at 800 °C for 1000 h. The interconnect/seal glass interaction involves the oxidation of the bare and (Mn,Co) 3O 4 coated Crofer 22 APU alloy surfaces, inter-diffusion of elements, chemical reaction, and the devitrification of the SABS-0 glass. The study shows that the thermal treatment atmosphere greatly affects the interfacial stability of both bare Crofer 22 APU/SABS-0 and (Mn,Co) 3O 4 coated Crofer 22 APU/SABS-0 samples. The interfacial stability is better in the H 2/H 2O atmosphere for both samples. The instability of the (Mn,Co) 3O 4 coating under the thermal treatment conditions degrades the interfacial compatibility of the (Mn,Co) 3O 4 coated Crofer 22 APU/SABS-0 sample.

The coordination between mechanical and chemical subsystems initiates locomotion of Physarum plasmodial fragments

NASA Astrophysics Data System (ADS)

Zhang, Shun; Guy, Robert; Del Alamo, Juan Carlos

2017-11-01

Physarum polycephalum is a multinucleated slime mold whose endoplasm flows periodically driven by the contraction of its ectoplasm, a dense shell of F-actin cross-linked by myosin molecular motors and attached to the cell membrane. We find that physarum fragments smaller than 100 microns remain round and stay in place. However, larger fragments break symmetry leading to sustained forward locomotion, in process that is reminiscent of an interfacial instability that seems to settle around two different limit cycles (traveling waves and standing waves). We use both theory and experiments to study how coordination emerges between the different mechanical and chemical subsystems of the fragment to initiate locomotion. The role of many involved factors, such as fragment size, substratum adhesiveness, rheological properties, actin polymerization and traction stresses are investigated, and we find they agree well with our predictive model.

Control of three-dimensional waves on thin liquid films. I - Optimal control and transverse mode effects

NASA Astrophysics Data System (ADS)

Tomlin, Ruben; Gomes, Susana; Pavliotis, Greg; Papageorgiou, Demetrios

2017-11-01

We consider a weakly nonlinear model for interfacial waves on three-dimensional thin films on inclined flat planes - the Kuramoto-Sivashinsky equation. The flow is driven by gravity, and is allowed to be overlying or hanging on the flat substrate. Blowing and suction controls are applied at the substrate surface. In this talk we explore the instability of the transverse modes for hanging arrangements, which are unbounded and grow exponentially. The structure of the equations allows us to construct optimal transverse controls analytically to prevent this transverse growth. In this case and the case of an overlying film, we additionally study the influence of controlling to non-trivial transverse states on the streamwise and mixed mode dynamics. Finally, we solve the full optimal control problem by deriving the first order necessary conditions for existence of an optimal control, and solving these numerically using the forward-backward sweep method.

Viscoplastic sculpting in stable triple layer heavy oil transport flow

NASA Astrophysics Data System (ADS)

Sarmadi, Parisa; Hormozi, Sarah; A. Frigaard, Ian

2017-11-01

In we introduced a novel methodology for efficient transport of heavy oil via a triple layer core-annular flow. Pumping pressures are significantly reduced by concentrating high shear rates to a lubricating layer, while ideas from Visco-Plastic Lubrication are used to eliminate interfacial instabilities. We purposefully position a shaped unyielded skin of a viscoplastic fluid between the transported oil and the lubricating fluid layer to balance the density difference between the fluids. Here we address the sculpting of the shaped skin within a concentric inflow manifold. We use the quasi-steady model to provide inputs to an axisymmetric triple layer computation, showing the development of the streamwise skin profile and establishment of the flow. For this, we use a finite element discretization with the augmented-Lagrangian method to represent the yield surface behaviour accurately and a PLIC method to track the interface motion.

Effects of image charges, interfacial charge discreteness, and surface roughness on the zeta potential of spherical electric double layers.

PubMed

Gan, Zecheng; Xing, Xiangjun; Xu, Zhenli

2012-07-21

We investigate the effects of image charges, interfacial charge discreteness, and surface roughness on spherical electric double layer structures in electrolyte solutions with divalent counterions in the setting of the primitive model. By using Monte Carlo simulations and the image charge method, the zeta potential profile and the integrated charge distribution function are computed for varying surface charge strengths and salt concentrations. Systematic comparisons were carried out between three distinct models for interfacial charges: (1) SURF1 with uniform surface charges, (2) SURF2 with discrete point charges on the interface, and (3) SURF3 with discrete interfacial charges and finite excluded volume. By comparing the integrated charge distribution function and the zeta potential profile, we argue that the potential at the distance of one ion diameter from the macroion surface is a suitable location to define the zeta potential. In SURF2 model, we find that image charge effects strongly enhance charge inversion for monovalent interfacial charges, and strongly suppress charge inversion for multivalent interfacial charges. For SURF3, the image charge effect becomes much smaller. Finally, with image charges in action, we find that excluded volumes (in SURF3) suppress charge inversion for monovalent interfacial charges and enhance charge inversion for multivalent interfacial charges. Overall, our results demonstrate that all these aspects, i.e., image charges, interfacial charge discreteness, their excluding volumes, have significant impacts on zeta potentials of electric double layers.

Gravitational instability of thin gas layer between two thick liquid layers

NASA Astrophysics Data System (ADS)

Pimenova, A. V.; Goldobin, D. S.

2016-12-01

We consider the problem of gravitational instability (Rayleigh-Taylor instability) of a horizontal thin gas layer between two liquid half-spaces (or thick layers), where the light liquid overlies the heavy one. This study is motivated by the phenomenon of boiling at the surface of direct contact between two immiscible liquids, where the rate of the "break-away" of the vapor layer growing at the contact interface due to development of the Rayleigh-Taylor instability on the upper liquid-gas interface is of interest. The problem is solved analytically under the assumptions of inviscid liquids and viscous weightless vapor. These assumptions correspond well to the processes in real systems, e.g., they are relevant for the case of interfacial boiling in the system water- n-heptane. In order to verify the results, the limiting cases of infinitely thin and infinitely thick gas layers were considered, for which the results can be obviously deduced from the classical problem of the Rayleigh-Taylor instability. These limiting cases are completely identical to the well-studied cases of gravity waves at the liquidliquid and liquid-gas interfaces. When the horizontal extent of the system is long enough, the wavenumber of perturbations is not limited from below, and the system is always unstable. The wavelength of the most dangerous perturbations and the rate of their exponential growth are derived as a function of the layer thickness. The dependence of the exponential growth rate on the gas layer thickness is cubic.

Multiscale model for microstructure evolution in multiphase materials: Application to the growth of isolated inclusions in presence of elasticity.

PubMed

Perez, Danny; Lewis, Laurent J

2006-09-01

We present a multiscale model based on the classical lattice time-dependent density-functional theory to study microstructure evolution in multiphase systems. As a first test of the method, we study the static and dynamic properties of isolated inclusions. Three cases are explored: elastically homogeneous systems, elastically inhomogeneous systems with soft inclusions, and elastically inhomogeneous systems with hard inclusions. The equilibrium properties of inclusions are shown to be consistent with previous results: both homogeneous and hard inclusions adopt a circular shape independent of their size, whereas soft inclusions are circular below a critical radius and elliptic above. In all cases, the Gibbs-Thomson relation is obeyed, except for a change in the prefactor at the critical radius in soft inclusions. Under growth conditions, homogeneous inclusions exhibit a Mullins-Sekerka shape instability [W. Mullins and R. Sekerka, J. Appl. Phys. 34, 323 (1963)], whereas in inhomogeneous systems, the growth of perturbations follows the Leo-Sekerka model [P. Leo and R. Sekerka, Acta Metall. 37, 3139 (1989)]. For soft inclusions, the mode instability regime is gradually replaced by a tip-growing mechanism, which leads to stable, strongly out-of-equilibrium shapes even at very low supersaturation. This mechanism is shown to significantly affect the growth dynamics of soft inclusions, whereas dynamical corrections to the growth rates are negligible in homogeneous and hard inclusions. Finally, due to its microscopic formulation, the model is shown to automatically take into account phenomena caused by the presence of the underlying discrete lattice: anisotropy of the interfacial energy, anisotropy of the kinetics, and preferential excitation of shape perturbations commensurate with the rotational symmetry of the lattice.

Field-Controlled Electrical Switch with Liquid Metal.

PubMed

Wissman, James; Dickey, Michael D; Majidi, Carmel

2017-12-01

When immersed in an electrolyte, droplets of Ga-based liquid metal (LM) alloy can be manipulated in ways not possible with conventional electrocapillarity or electrowetting. This study demonstrates how LM electrochemistry can be exploited to coalesce and separate droplets under moderate voltages of ~1-10 V. This novel approach to droplet interaction can be explained with a theory that accounts for oxidation and reduction as well as fluidic instabilities. Based on simulations and experimental analysis, this study finds that droplet separation is governed by a unique limit-point instability that arises from gradients in bipolar electrochemical reactions that lead to gradients in interfacial tension. The LM coalescence and separation are used to create a field-programmable electrical switch. As with conventional relays or flip-flop latch circuits, the system can transition between bistable (separated or coalesced) states, making it useful for memory storage, logic, and shape-programmable circuitry using entirely liquids instead of solid-state materials.

Improved Gate Dielectric Deposition and Enhanced Electrical Stability for Single-Layer MoS2 MOSFET with an AlN Interfacial Layer

PubMed Central

Qian, Qingkai; Li, Baikui; Hua, Mengyuan; Zhang, Zhaofu; Lan, Feifei; Xu, Yongkuan; Yan, Ruyue; Chen, Kevin J.

2016-01-01

Transistors based on MoS2 and other TMDs have been widely studied. The dangling-bond free surface of MoS2 has made the deposition of high-quality high-k dielectrics on MoS2 a challenge. The resulted transistors often suffer from the threshold voltage instability induced by the high density traps near MoS2/dielectric interface or inside the gate dielectric, which is detrimental for the practical applications of MoS2 metal-oxide-semiconductor field-effect transistor (MOSFET). In this work, by using AlN deposited by plasma enhanced atomic layer deposition (PEALD) as an interfacial layer, top-gate dielectrics as thin as 6 nm for single-layer MoS2 transistors are demonstrated. The AlN interfacial layer not only promotes the conformal deposition of high-quality Al2O3 on the dangling-bond free MoS2, but also greatly enhances the electrical stability of the MoS2 transistors. Very small hysteresis (ΔVth) is observed even at large gate biases and high temperatures. The transistor also exhibits a low level of flicker noise, which clearly originates from the Hooge mobility fluctuation instead of the carrier number fluctuation. The observed superior electrical stability of MoS2 transistor is attributed to the low border trap density of the AlN interfacial layer, as well as the small gate leakage and high dielectric strength of AlN/Al2O3 dielectric stack. PMID:27279454

Solid-liquid interfacial free energy of ice Ih, ice Ic, and ice 0 within a mono-atomic model of water via the capillary wave method.

PubMed

Ambler, Michael; Vorselaars, Bart; Allen, Michael P; Quigley, David

2017-02-21

We apply the capillary wave method, based on measurements of fluctuations in a ribbon-like interfacial geometry, to determine the solid-liquid interfacial free energy for both polytypes of ice I and the recently proposed ice 0 within a mono-atomic model of water. We discuss various choices for the molecular order parameter, which distinguishes solid from liquid, and demonstrate the influence of this choice on the interfacial stiffness. We quantify the influence of discretisation error when sampling the interfacial profile and the limits on accuracy imposed by the assumption of quasi one-dimensional geometry. The interfacial free energies of the two ice I polytypes are indistinguishable to within achievable statistical error and the small ambiguity which arises from the choice of order parameter. In the case of ice 0, we find that the large surface unit cell for low index interfaces constrains the width of the interfacial ribbon such that the accuracy of results is reduced. Nevertheless, we establish that the interfacial free energy of ice 0 at its melting temperature is similar to that of ice I under the same conditions. The rationality of a core-shell model for the nucleation of ice I within ice 0 is questioned within the context of our results.

Methodology Development of a Gas-Liquid Dynamic Flow Regime Transition Model

NASA Astrophysics Data System (ADS)

Doup, Benjamin Casey

Current reactor safety analysis codes, such as RELAP5, TRACE, and CATHARE, use flow regime maps or flow regime transition criteria that were developed for static fully-developed two-phase flows to choose interfacial transfer models that are necessary to solve the two-fluid model. The flow regime is therefore difficult to identify near the flow regime transitions, in developing two-phase flows, and in transient two-phase flows. Interfacial area transport equations were developed to more accurately predict the dynamic nature of two-phase flows. However, other model coefficients are still flow regime dependent. Therefore, an accurate prediction of the flow regime is still important. In the current work, the methodology for the development of a dynamic flow regime transition model that uses the void fraction and interfacial area concentration obtained by solving three-field the two-fluid model and two-group interfacial area transport equation is investigated. To develop this model, detailed local experimental data are obtained, the two-group interfacial area transport equations are revised, and a dynamic flow regime transition model is evaluated using a computational fluid dynamics model. Local experimental data is acquired for 63 different flow conditions in bubbly, cap-bubbly, slug, and churn-turbulent flow regimes. The measured parameters are the group-1 and group-2 bubble number frequency, void fraction, interfacial area concentration, and interfacial bubble velocities. The measurements are benchmarked by comparing the prediction of the superficial gas velocities, determined using the local measurements with those determined from volumetric flow rate measurements and the agreement is generally within +/-20%. The repeatability four-sensor probe construction process is within +/-10%. The repeatability of the measurement process is within +/-7%. The symmetry of the test section is examined and the average agreement is within +/-5.3% at z/D = 10 and +/-3.4% at z/D = 32. Revised source/sink terms for the two-group interfacial area transport equations are derived and fit to area-averaged experimental data to determine new model coefficients. The average agreement between this model and the experiment data for the void fraction and interfacial area concentration is 10.6% and 15.7%, respectively. This revised two-group interfacial area transport equation and the three-field two-fluid model are used to solve for the group-1 and group-2 interfacial area concentration and void fraction. These values and a dynamic flow regime transition model are used to classify the flow regimes. The flow regimes determined using this model are compared with the flow regimes based on the experimental data and on a flow regime map using Mishima and Ishii's (1984) transition criteria. The dynamic flow regime transition model is shown to predict the flow regimes dynamically and has improved the prediction of the flow regime over that using a flow regime map. Safety codes often employ the one-dimensional two-fluid model to model two-phase flows. The area-averaged relative velocity correlation necessary to close this model is derived from the drift flux model. The effects of the necessary assumptions used to derive this correlation are investigated using local measurements and these effects are found to have a limited impact on the prediction of the area-averaged relative velocity.

Spontaneous mode-selection in the self-propelled motion of a solid/liquid composite driven by interfacial instability

NASA Astrophysics Data System (ADS)

Takabatake, Fumi; Magome, Nobuyuki; Ichikawa, Masatoshi; Yoshikawa, Kenichi

2011-03-01

Spontaneous motion of a solid/liquid composite induced by a chemical Marangoni effect, where an oil droplet attached to a solid soap is placed on a water phase, was investigated. The composite exhibits various characteristic motions, such as revolution (orbital motion) and translational motion. The results showed that the mode of this spontaneous motion switches with a change in the size of the solid scrap. The essential features of this mode-switching were reproduced by ordinary differential equations by considering nonlinear friction with proper symmetry.

DEVELOPMENT AND OPTIMIZATION OF GAS-ASSISTED GRAVITY DRAINAGE (GAGD) PROCESS FOR IMPROVED LIGHT OIL RECOVERY

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dandina N. Rao; Subhash C. Ayirala; Madhav M. Kulkarni

This report describes the progress of the project ''Development And Optimization of Gas-Assisted Gravity Drainage (GAGD) Process for Improved Light Oil Recovery'' for the duration of the thirteenth project quarter (Oct 1, 2005 to Dec 30, 2005). There are three main tasks in this research project. Task 1 is a scaled physical model study of the GAGD process. Task 2 is further development of a vanishing interfacial tension (VIT) technique for miscibility determination. Task 3 is determination of multiphase displacement characteristics in reservoir rocks. Section I reports experimental work designed to investigate wettability effects of porous medium, on secondary andmore » tertiary mode GAGD performance. The experiments showed a significant improvement of oil recovery in the oil-wet experiments versus the water-wet runs, both in secondary as well as tertiary mode. When comparing experiments conducted in secondary mode to those run in tertiary mode an improvement in oil recovery was also evident. Additionally, this section summarizes progress made with regard to the scaled physical model construction and experimentation. The purpose of building a scaled physical model, which attempts to include various multiphase mechanics and fluid dynamic parameters operational in the field scale, was to incorporate visual verification of the gas front for viscous instabilities, capillary fingering, and stable displacement. Preliminary experimentation suggested that construction of the 2-D model from sintered glass beads was a feasible alternative. During this reporting quarter, several sintered glass mini-models were prepared and some preliminary experiments designed to visualize gas bubble development were completed. In Section II, the gas-oil interfacial tensions measured in decane-CO{sub 2} system at 100 F and live decane consisting of 25 mole% methane, 30 mole% n-butane and 45 mole% n-decane against CO{sub 2} gas at 160 F have been modeled using the Parachor and newly proposed mechanistic Parachor models. In the decane-CO{sub 2} binary system, Parachor model was found to be sufficient for interfacial tension calculations. The predicted miscibility from the Parachor model deviated only by about 2.5% from the measured VIT miscibility. However, in multicomponent live decane-CO{sub 2} system, the performance of the Parachor model was poor, while good match of interfacial tension predictions has been obtained experimentally using the proposed mechanistic Parachor model. The predicted miscibility from the mechanistic Parachor model accurately matched with the measured VIT miscibility in live decane-CO2 system, which indicates the suitability of this model to predict miscibility in complex multicomponent hydrocarbon systems. In the previous reports to the DOE (15323R07, Oct 2004; 15323R08, Jan 2005; 15323R09, Apr 2005; 15323R10, July 2005 and 154323, Oct 2005), the 1-D experimental results from dimensionally scaled GAGD and WAG corefloods were reported for Section III. Additionally, since Section I reports the experimental results from 2-D physical model experiments; this section attempts to extend this 2-D GAGD study to 3-D (4-phase) flow through porous media and evaluate the performance of these processes using reservoir simulation. Section IV includes the technology transfer efforts undertaken during the quarter. This research work resulted in one international paper presentation in Tulsa, OK; one journal publication; three pending abstracts for SCA 2006 Annual Conference and an invitation to present at the Independents Day session at the IOR Symposium 2006.« less

Unravelling surface and interfacial structures of a metal-organic framework by transmission electron microscopy.

PubMed

Zhu, Yihan; Ciston, Jim; Zheng, Bin; Miao, Xiaohe; Czarnik, Cory; Pan, Yichang; Sougrat, Rachid; Lai, Zhiping; Hsiung, Chia-En; Yao, Kexin; Pinnau, Ingo; Pan, Ming; Han, Yu

2017-05-01

Metal-organic frameworks (MOFs) are crystalline porous materials with designable topology, porosity and functionality, having promising applications in gas storage and separation, ion conduction and catalysis. It is challenging to observe MOFs with transmission electron microscopy (TEM) due to the extreme instability of MOFs upon electron beam irradiation. Here, we use a direct-detection electron-counting camera to acquire TEM images of the MOF ZIF-8 with an ultralow dose of 4.1 electrons per square ångström to retain the structural integrity. The obtained image involves structural information transferred up to 2.1 Å, allowing the resolution of individual atomic columns of Zn and organic linkers in the framework. Furthermore, TEM reveals important local structural features of ZIF-8 crystals that cannot be identified by diffraction techniques, including armchair-type surface terminations and coherent interfaces between assembled crystals. These observations allow us to understand how ZIF-8 crystals self-assemble and the subsequent influence of interfacial cavities on mass transport of guest molecules.

Interfacial composition and stability of emulsions made with mixtures of commercial sodium caseinate and whey protein concentrate.

PubMed

Ye, Aiqian

2008-10-15

The interfacial composition and the stability of oil-in-water emulsion droplets (30% soya oil, pH 7.0) made with mixtures of sodium caseinate and whey protein concentrate (WPC) (1:1 by protein weight) at various total protein concentrations were examined. The average volume-surface diameter (d32) and the total surface protein concentration of emulsion droplets were similar to those of emulsions made with both sodium caseinate alone and WPC alone. Whey proteins were adsorbed in preference to caseins at low protein concentrations (<3%), whereas caseins were adsorbed in preference to whey proteins at high protein concentrations. The creaming stability of the emulsions decreased markedly as the total protein concentration of the system was increased above 2% (sodium caseinate >1%). This was attributed to depletion flocculation caused by the sodium caseinate in these emulsions. Whey proteins did not retard this instability in the emulsions made with mixtures of sodium caseinate and WPC. Copyright © 2008 Elsevier Ltd. All rights reserved.

Unravelling surface and interfacial structures of a metal-organic framework by transmission electron microscopy

NASA Astrophysics Data System (ADS)

Zhu, Yihan; Ciston, Jim; Zheng, Bin; Miao, Xiaohe; Czarnik, Cory; Pan, Yichang; Sougrat, Rachid; Lai, Zhiping; Hsiung, Chia-En; Yao, Kexin; Pinnau, Ingo; Pan, Ming; Han, Yu

2017-05-01

Metal-organic frameworks (MOFs) are crystalline porous materials with designable topology, porosity and functionality, having promising applications in gas storage and separation, ion conduction and catalysis. It is challenging to observe MOFs with transmission electron microscopy (TEM) due to the extreme instability of MOFs upon electron beam irradiation. Here, we use a direct-detection electron-counting camera to acquire TEM images of the MOF ZIF-8 with an ultralow dose of 4.1 electrons per square ångström to retain the structural integrity. The obtained image involves structural information transferred up to 2.1 Å, allowing the resolution of individual atomic columns of Zn and organic linkers in the framework. Furthermore, TEM reveals important local structural features of ZIF-8 crystals that cannot be identified by diffraction techniques, including armchair-type surface terminations and coherent interfaces between assembled crystals. These observations allow us to understand how ZIF-8 crystals self-assemble and the subsequent influence of interfacial cavities on mass transport of guest molecules.

Modeling the Effects of Interfacial Characteristics on Gas Permeation Behavior of Nanotube-Mixed Matrix Membranes.

PubMed

Chehrazi, Ehsan; Sharif, Alireza; Omidkhah, Mohammadreza; Karimi, Mohammad

2017-10-25

Theoretical approaches that accurately predict the gas permeation behavior of nanotube-containing mixed matrix membranes (nanotube-MMMs) are scarce. This is mainly due to ignoring the effects of nanotube/matrix interfacial characteristics in the existing theories. In this paper, based on the analogy of thermal conduction in polymer composites containing nanotubes, we develop a model to describe gas permeation through nanotube-MMMs. Two new parameters, "interfacial thickness" (a int ) and "interfacial permeation resistance" (R int ), are introduced to account for the role of nanotube/matrix interfacial interactions in the proposed model. The obtained values of a int , independent of the nature of the permeate gas, increased by increasing both the nanotubes aspect ratio and polymer-nanotube interfacial strength. An excellent correlation between the values of a int and polymer-nanotube interaction parameters, χ, helped to accurately reproduce the existing experimental data from the literature without the need to resort to any adjustable parameter. The data includes 10 sets of CO 2 /CH 4 permeation, 12 sets of CO 2 /N 2 permeation, 3 sets of CO 2 /O 2 permeation, and 2 sets of CO 2 /H 2 permeation through different nanotube-MMMs. Moreover, the average absolute relative errors between the experimental data and the predicted values of the proposed model are very small (less than 5%) in comparison with those of the existing models in the literature. To the best of our knowledge, this is the first study where such a systematic comparison between model predictions and such extensive experimental data is presented. Finally, the new way of assessing gas permeation data presented in the current work would be a simple alternative to complex approaches that are usually utilized to estimate interfacial thickness in polymer composites.

New flange correction formula applied to interfacial resistance measurements of ohmic contacts to GaAs

NASA Technical Reports Server (NTRS)

Lieneweg, Udo; Hannaman, David J.

1987-01-01

A quasi-two-dimensional analytical model is developed to account for vertical and horizontal current flow in and adjacent to a square ohmic contact between a metal and a thin semiconducting strip which is wider than the contact. The model includes side taps to the contact area for voltage probing and relates the 'apparent' interfacial resistivity to the (true) interfacial resistivity, the sheet resistance of the semiconducting layer, the contact size, and the width of the 'flange' around the contact. This relation is checked against numerical simulations. With the help of the model, interfacial resistivities of ohmic contacts to GaAs were extracted and found independent of contact size in the range of 1.5-10 microns.

Size effect model on kinetics of interfacial reaction between Sn-xAg-yCu solders and Cu substrate

PubMed Central

Huang, M. L.; Yang, F.

2014-01-01

The downsizing of solder balls results in larger interfacial intermetallic compound (IMC) grains and less Cu substrate consumption in lead-free soldering on Cu substrates. This size effect on the interfacial reaction is experimentally demonstrated and theoretically analyzed using Sn-3.0Ag-0.5Cu and Sn-3.5Ag solder balls. The interfacial reaction between the Sn-xAg-yCu solders and Cu substrates is a dynamic response to a combination of effects of interfacial IMC growth, Cu substrate consumption and composition variation in the interface zone. A concentration gradient controlled (CGC) kinetics model is proposed to explain the combined effects. The concentration gradient of Cu at the interface, which is a function of solder volume, initial Cu concentration and reaction time, is the root cause of the size effect. We found that a larger Cu concentration gradient results in smaller Cu6Sn5 grains and more consumption of Cu substrate. According to our model, the growth kinetics of interfacial Cu6Sn5 obeys a t1/3 law when the molten solder has approached the solution saturation, and will be slower otherwise due to the interfering dissolution mechanism. The size effect introduced in this model is supported by a good agreement between theoretical and experimental results. Finally, the scope of application of this model is discussed. PMID:25408359

Prediction of fingering in porous media

NASA Astrophysics Data System (ADS)

Wang, Zhi; Feyen, Jan; Elrick, David E.

1998-09-01

Immiscible displacement, involving two fluids in a porous medium, can be unstable and fingered under certain conditions. In this paper, the original linear instability criterion of Chuoke et al. [1959] is generalized, considering wettability of two immiscible fluids to the porous medium. This is then used to predict 24 specific flow and porous medium conditions for the onset of wetting front instability in the subsurface. Wetting front instability is shown to be a function of the driving fluid wettability to the medium, differences in density and viscosity of the fluids, the magnitude of the interfacial tension, and the direction of flow with respect to gravity. Scenarios of water and nonaqueous-phase liquid infiltration into the vadose zone are examined to predict preferential flow and contamination of groundwater. The mechanisms of finger formation, propagation, and persistence in the vadose zone are reviewed, and the existing equations for calculating the size, the number and velocity of fingers are simplified for field applications. The analyses indicate that fingers initiate and propagate according to spatial and temporal distribution of the dynamic breakthrough (water- or air-entry) pressures in the porous medium. The predicted finger size and velocity are in close agreement with the experimental results.

Nonlinear interfacial stability of core-annular film flows in the presence of surfactants

NASA Astrophysics Data System (ADS)

Kas-Danouche, Said A.

This work is an analytical and computational study of the nonlinear interfacial instabilities found in core-annular flows in the presence of surfactants. Core-annular flows arise when two immiscible fluids (for example water and oil) are caused to flow in a pipe under the action of an axial pressure gradient. In one typical type of flow regime, the fluids arrange themselves so that the less viscous (e.g. water) lies in the region of high shear near the pipe wall, with the more viscous fluid occupying the core region. Technologically, this arrangement provides an advantage since the highly viscous fluid is lubricated by the less viscous annulus and for a given pressure gradient the core-fluid flux can be greatly increased. The stability of these flows is of fundamental scientific and practical importance. The sharp interface between the two phases can become unstable by several physical mechanisms and one such mechanism of practical importance is surface tension. In this work we incorporate into our model the effects of insoluble surfactants on the instability. The full problem is derived with particular emphasis paid to the surfactant transport equation which is novel. We then carry out an asymptotic solution of the problem when the annular layer is thin compared to the core-fluid radius and for waves which are of the order of the pipe radius (that is long compared to the annular layer thickness); these scales are in accord with both linear theory as well as experimental observations. The result of the matched asymptotic analysis is a system of coupled nonlinear partial differential equations for the interfacial amplitude and the surfactant concentration on the interface. In the absence of surfactants, the system reduces to the Kuramoto-Sivashinsky equation which has been extensively studied as a paradigm for one-dimensional turbulence in dissipative systems. The surfactant modifies the flow by inducing Marangoni forces along the interface which in turn modify both the velocities and interfacial amplitudes. There are two parameters present in the nonlinear system, the length of the system and a surface Peclet number which measures the diffusion of surfactant on the interface. In order to gain an understanding of the dynamics, we carry out extensive computations using accurate and stable numerical methods capable of following the solution for long times. We map out the dynamics by numerically solving initial value problems on spatially periodic domains where the length of the system is the bifurcation parameter, keeping the Peclet number fixed and equal to one. We find that surfactant acts to suppress chaotic behavior found in its absence for extensive ranges of the bifurcation parameter. The new flow consists of successive windows (in parameter space) of steady-state traveling waves separated by time-periodic attractors. As the length of the system increases a self-similar structure has been found to govern the shapes of the traveling waves as we move from a given window to a lower one. This is elucidated analytically and numerically.

Rheology at the Interface and the Role of the Interphase in Reactive Functionalized Multilayer Polymers in Coextrusion Process

NASA Astrophysics Data System (ADS)

Lamnawar, Khalid; Maazouz, Abderrahim

2008-07-01

Coextrusion technologies are commonly used to produce multilayered composite sheets or films for a large range of applications from food packaging to optics. The contrast of rheological properties between layers can lead to interfacial instabilities during flow. Important theoretical and experimental advances regarding the stability of compatible and incompatible polymers have, during the last decades, been made using a mechanical approach. However, few research efforts have been dedicated to the physicochemical affinity between the neighboring layers. The present study deals with the influence of this affinity on interfacial instabilities for functionalized incompatible polymers. Polyamide (PA6)/polyethylene grafted with glycidyl methacrylate (PE-GMA) was used as a reactive system and PE/PA6 as a non reactive one. Two grades of polyamide (PA6) were used in order to change the viscosity and elasticity ratios between PE (or PE-GMA) and PA6. It was experimentally confirmed, in this case, that weak disturbance can be predicted by considering an interphase of non-zero thickness (corresponding to an interdiffusion/reaction zone) instead of a purely geometrical interface between the two reactive layers. According to the rheological investigations from previous work which the interphase effect can be probed, an experimental strategy was here formulated to optimize the process by listing the parameters that controlled the stability of the reactive multilayer flows. Hence, based on this analysis, guidelines for a stable coextrusion of reactive functionalized polymers can be provided coupling the classical parameters (viscosity, elasticity and layer ratios) and the physicochemical affinity at the polymer/polymer interface.

Modeling of Instabilities and Self-organization at the Frictional Interface

NASA Astrophysics Data System (ADS)

Mortazavi, Vahid

The field of friction-induced self-organization and its practical importance remains unknown territory to many tribologists. Friction is usually thought of as irreversible dissipation of energy and deterioration; however, under certain conditions, friction can lead to the formation of new structures at the interface, including in-situ tribofilms and various patterns at the interface. This thesis studies self-organization and instabilities at the frictional interface, including the instability due to the temperature-dependency of the coefficient of friction, the transient process of frictional running-in, frictional Turing systems, the stick-and-slip phenomenon, and, finally, contact angle (CA) hysteresis as an example of solid-liquid friction and dissipation. All these problems are chosen to bridge the gap between fundamental interest in understanding the conditions leading to self-organization and practical motivation. We study the relationship between friction-induced instabilities and friction-induced self-organization. Friction is usually thought of as a stabilizing factor; however, sometimes it leads to the instability of sliding, in particular when friction is coupled with another process. Instabilities constitute the main mechanism for pattern formation. At first, a stationary structure loses its stability; after that, vibrations with increasing amplitude occur, leading to a limit cycle corresponding to a periodic pattern. The self-organization is usually beneficial for friction and wear reduction because the tribological systems tend to enter a state with the lowest energy dissipation. The introductory chapter starts with basic definitions related to self-organization, instabilities and friction, literature review, and objectives. We discuss fundamental concepts that provide a methodological tool to investigate, understand and enhance beneficial processes in tribosystems which might lead to self-organization. These processes could result in the ability of a frictional surface to exhibit "self-protection" and "self-healing" properties. Hence, this research is dealing with the fundamental concepts that allow the possibility of the development of a new generation of tribosystem and materials that reinforce such properties. In chapter 2, we investigate instabilities due to the temperature-dependency of the coefficient of friction. The temperature-dependency of the coefficient of friction can have a significant effect on the frictional sliding stability, by leading to the formation of "hot" and "cold" spots on the contacting surfaces. We formulate a stability criterion and perform a case study of a brake disk. In chapter 3, we study frictional running-in. Running-in is a transient period on the onset of the frictional sliding, in which friction and wear decrease to their stationary values. In this research, running-in is interpreted as friction-induced self-organization process. We introduce a theoretical model of running-in and investigate rough profile evolution assuming that its kinetics is driven by two opposite processes or events, i.e., smoothening which is typical for the deformation-driven friction and wear, and roughening which is typical for the adhesion-driven friction and wear. In chapter 4, we investigate the possibility of the so-called Turing-type pattern formation during friction. Turing or reaction-diffusion systems describe variations of spatial concentrations of chemical components with time due to local chemical reactions coupled with diffusion. During friction, the patterns can form at the sliding interface due to the mass transfer (diffusion), heat transfer, various tribochemical reactions, and wear. In chapter 5, we investigate how interfacial patterns including propagating trains of stick and slip zones form due to dynamic sliding instabilities. These can be categorized as self-organized patterns. We treat stick and slip as two phases at the interface, and study the effects related to phase transitions. Our results show how interfacial patterns form, how the transition between stick and slip zones occurs, and which parameters affect them. In chapter 6, we use Cellular Potts Model to study contact angle (CA) hysteresis as a measure of solid-liquid energy dissipation. We simulate CA hysteresis for a droplet over the tilted patterned surface, and a bubble placed under the surface immersed in liquid. We discuss the dependency of CA hysteresis on the surface structure and other parameters. This analysis allows decoupling of the 1D (pinning of the triple line) and 2D effects (adhesion hysteresis in the contact area) and obtain new insights on the nature of CA hysteresis. To summarize, we examine different cases in frictional interface and observe similar trends. We investigate and discus how these trends could be beneficial in design, synthesis and characterization of different materials and tribosystems. Furthermore, we describe how to utilize fundamental concepts for specific engineering applications. Finally, the main theme of this research is to find new applications of concept of self-organization to tribology and the role played by different physical and chemical interactions in modifying and controlling friction and wear. (Abstract shortened by UMI.)

Research on the interfacial behaviors of plate-type dispersion nuclear fuel elements

NASA Astrophysics Data System (ADS)

Wang, Qiming; Yan, Xiaoqing; Ding, Shurong; Huo, Yongzhong

2010-04-01

The three-dimensional constitutive relations are constructed, respectively, for the fuel particles, the metal matrix and the cladding of dispersion nuclear fuel elements, allowing for the effects of large deformation and thermal-elastoplasticity. According to the constitutive relations, the method of modeling their irradiation behaviors in ABAQUS is developed and validated. Numerical simulations of the interfacial performances between the fuel meat and the cladding are implemented with the developed finite element models for different micro-structures of the fuel meat. The research results indicate that: (1) the interfacial tensile stresses and shear stresses for some cases will increase with burnup, but the relative stresses will decrease with burnup for some micro-structures; (2) at the lower burnups, the interfacial stresses increase with the particle sizes and the particle volume fractions; however, it is not the case at the higher burnups; (3) the particle distribution characteristics distinctly affect the interfacial stresses, and the face-centered cubic case has the best interfacial performance of the three considered cases.

Interfacial profiles in fluid/liquid systems: a description based on the storing of elastic energy.

PubMed

Castellanos-Suárez, Aly J; Toro-Mendoza, Jhoan; García-Sucre, Máximo

2011-06-01

An analytical expression for the interfacial energy is found by solving a Poisson equation and assuming a Boltzmann distribution of volume elements forming the fluid/liquid system. Interfacial phenomena are treated as a result of the response of a liquid when it makes contact with other fluid phase, in order to reach thermal and mechanical equilibrium. This model gives a quantitative description of the interface, obtaining values for its molar, force and energy density profiles. Also, our model allows the determination of the proportion of the fluids present in the interfacial zone, the values of interfacial tension and thickness. In the case of water+n-alkanes systems, the tensions are in agreement with the behavior shown by the experimental data. Finally, the values for interfacial thickness predicted from molar density profiles are lower than the range of influence of the elastic energy and elastic field. Copyright © 2011 Elsevier Inc. All rights reserved.

Low energy dislocation structures in epitaxy

NASA Technical Reports Server (NTRS)

Van Der Merwe, Jan H.; Woltersdorf, J.; Jesser, W. A.

1986-01-01

The principle of minimum energy was applied to epitaxial interfaces to show the interrelationship beteen misfit, overgrowth thickness and misfit dislocation spacing. The low energy dislocation configurations were presented for selected interfacial geometries. A review of the interfacial energy calculations was made and a critical assessment of the agreement between theory and experiment was presented. Modes of misfit accommodation were presented with emphasis on the distinction between kinetic effects and equilibrium conditions. Two-dimensional and three-dimensional overgrowths were treated together with interdiffusion-modified interfaces, and several models of interfacial structure were treated including the classical and the current models. The paper is concluded by indicating areas of needed investigation into interfacial structure.

Interfacial Micromechanics in Fibrous Composites: Design, Evaluation, and Models

PubMed Central

Lei, Zhenkun; Li, Xuan; Qin, Fuyong; Qiu, Wei

2014-01-01

Recent advances of interfacial micromechanics in fiber reinforced composites using micro-Raman spectroscopy are given. The faced mechanical problems for interface design in fibrous composites are elaborated from three optimization ways: material, interface, and computation. Some reasons are depicted that the interfacial evaluation methods are difficult to guarantee the integrity, repeatability, and consistency. Micro-Raman study on the fiber interface failure behavior and the main interface mechanical problems in fibrous composites are summarized, including interfacial stress transfer, strength criterion of interface debonding and failure, fiber bridging, frictional slip, slip transition, and friction reloading. The theoretical models of above interface mechanical problems are given. PMID:24977189

Governing Influence of Thermodynamic and Chemical Equilibria on the Interfacial Properties in Complex Fluids.

PubMed

Harikrishnan, A R; Dhar, Purbarun; Gedupudi, Sateesh; Das, Sarit K

2018-04-12

We propose a comprehensive analysis and a quasi-analytical mathematical formalism to predict the surface tension and contact angles of complex surfactant-infused nanocolloids. The model rests on the foundations of the interaction potentials for the interfacial adsorption-desorption dynamics in complex multicomponent colloids. Surfactant-infused nanoparticle-laden interface problems are difficult to deal with because of the many-body interactions and interfaces involved at the meso-nanoscales. The model is based on the governing role of thermodynamic and chemical equilibrium parameters in modulating the interfacial energies. The influence of parameters such as the presence of surfactants, nanoparticles, and surfactant-capped nanoparticles on interfacial dynamics is revealed by the analysis. Solely based on the knowledge of interfacial properties of independent surfactant solutions and nanocolloids, the same can be deduced for complex surfactant-based nanocolloids through the proposed approach. The model accurately predicts the equilibrium surface tension and contact angle of complex nanocolloids available in the existing literature and present experimental findings.

Modeling micelle formation and interfacial properties with iSAFT classical density functional theory

NASA Astrophysics Data System (ADS)

Wang, Le; Haghmoradi, Amin; Liu, Jinlu; Xi, Shun; Hirasaki, George J.; Miller, Clarence A.; Chapman, Walter G.

2017-03-01

Surfactants reduce the interfacial tension between phases, making them an important additive in a number of industrial and commercial applications from enhanced oil recovery to personal care products (e.g., shampoo and detergents). To help obtain a better understanding of the dependence of surfactant properties on molecular structure, a classical density functional theory, also known as interfacial statistical associating fluid theory, has been applied to study the effects of surfactant architecture on micelle formation and interfacial properties for model nonionic surfactant/water/oil systems. In this approach, hydrogen bonding is explicitly included. To minimize the free energy, the system minimizes interactions between hydrophobic components and hydrophilic components with water molecules hydrating the surfactant head group. The theory predicts micellar structure, effects of surfactant architecture on critical micelle concentration, aggregation number, and interfacial tension isotherm of surfactant/water systems in qualitative agreement with experimental data. Furthermore, this model is applied to study swollen micelles and reverse swollen micelles that are necessary to understand the formation of a middle-phase microemulsion.

One-group interfacial area transport in vertical air-water bubbly flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Q.; Kim, S.; Ishii, M.

In the two-fluid model for two-phase flows, interfacial area concentration is one of the most important closure relations that should be obtained from careful mechanistic modeling. The objective of this study is to develop a one-group interfacial area transport equation together with the modeling of the source and sink terms due to bubble breakage and coalescence. For bubble coalescence, two mechanisms are considered to be dominant in vertical two-phase bubbly flow. These are the random collisions between bubbles due to turbulence in the flow field, and the wake entrainment process due to the relative motion of the bubbles in themore » wake region of a seeding bubble. For bubble breakup, the impact of turbulent eddies is considered. These phenomena are modeled individually, resulting in a one-group interfacial area concentration transport equation with certain parameters to be determined from experimental data. Compared to the measured axial distribution of the interfacial area concentration under various flow conditions, these parameters are obtained for the reduced one-group, one-dimensional transport equation. The results indicate that the proposed models for bubble breakup and coalescence are appropriate.« less

Plasma transport in an Eulerian AMR code

DOE PAGES

Vold, E. L.; Rauenzahn, R. M.; Aldrich, C. H.; ...

2017-04-04

A plasma transport model has been implemented in an Eulerian AMR radiation-hydrodynamics code, xRage, which includes plasma viscosity in the momentum tensor, viscous dissipation in the energy equations, and binary species mixing with consistent species mass and energy fluxes driven by concentration gradients, ion and electron baro-diffusion terms and temperature gradient forces. The physics basis, computational issues, numeric options, and results from several test problems are discussed. The transport coefficients are found to be relatively insensitive to the kinetic correction factors when the concentrations are expressed with the molar fractions and the ion mass differences are large. The contributions tomore » flow dynamics from plasma viscosity and mass diffusion were found to increase significantly as scale lengths decrease in an inertial confinement fusion relevant Kelvin-Helmholtz instability mix layer. The mixing scale lengths in the test case are on the order of 100 μm and smaller for viscous effects to appear and 10 μm or less for significant ion species diffusion, evident over durations on the order of nanoseconds. The temperature gradient driven mass flux is seen to deplete a high Z tracer ion at the ion shock front. The plasma transport model provides the generation of the atomic mix per unit of interfacial area between two species with no free parameters. The evolution of the total atomic mix then depends also on an accurate resolution or estimate of the interfacial area between the species mixing by plasma transport. High resolution simulations or a more Lagrangian-like treatment of species interfaces may be required to distinguish plasma transport and numerical diffusion in an Eulerian computation of complex and dynamically evolving mix regions.« less

Plasma transport in an Eulerian AMR code

NASA Astrophysics Data System (ADS)

Vold, E. L.; Rauenzahn, R. M.; Aldrich, C. H.; Molvig, K.; Simakov, A. N.; Haines, B. M.

2017-04-01

A plasma transport model has been implemented in an Eulerian AMR radiation-hydrodynamics code, xRage, which includes plasma viscosity in the momentum tensor, viscous dissipation in the energy equations, and binary species mixing with consistent species mass and energy fluxes driven by concentration gradients, ion and electron baro-diffusion terms and temperature gradient forces. The physics basis, computational issues, numeric options, and results from several test problems are discussed. The transport coefficients are found to be relatively insensitive to the kinetic correction factors when the concentrations are expressed with the molar fractions and the ion mass differences are large. The contributions to flow dynamics from plasma viscosity and mass diffusion were found to increase significantly as scale lengths decrease in an inertial confinement fusion relevant Kelvin-Helmholtz instability mix layer. The mixing scale lengths in the test case are on the order of 100 μm and smaller for viscous effects to appear and 10 μm or less for significant ion species diffusion, evident over durations on the order of nanoseconds. The temperature gradient driven mass flux is seen to deplete a high Z tracer ion at the ion shock front. The plasma transport model provides the generation of the atomic mix per unit of interfacial area between two species with no free parameters. The evolution of the total atomic mix then depends also on an accurate resolution or estimate of the interfacial area between the species mixing by plasma transport. High resolution simulations or a more Lagrangian-like treatment of species interfaces may be required to distinguish plasma transport and numerical diffusion in an Eulerian computation of complex and dynamically evolving mix regions.

Interfacial Chemistry Regulation via a Skin-Grafting Strategy Enables High-Performance Lithium-Metal Batteries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gao, Yue; Zhao, Yuming; Li, Yuguang C.

The lithium (Li) metal anode suffers severe interfacial instability from its high reactivity toward liquid electrolytes, especially carbonate-based electrolytes, resulting in poor electrochemical performance of batteries that use 4 V high-capacity cathodes. In this paper, we report a new skin-grafting strategy that stabilizes the Li metal–liquid electrolyte interface by coating the Li metal surface with poly((N-2,2-dimethyl-1,3-dioxolane-4-methyl)-5-norbornene-exo-2,3-dicarboximide), a chemically and electrochemically active polymer layer. This layer, composed of cyclic ether groups with a stiff polycyclic main chain, serves as a grafted polymer skin on the Li metal anode not only to incorporate ether-based polymeric components into the solid-electrolyte interphase (SEI) butmore » also to accommodate Li deposition/dissolution under the skin in a dendrite/moss-free manner. Consequently, a Li-metal battery employing a Li metal anode with the grafted skin paired with LiNi 0.5Co 0.2Mn 0.3O 2 cathode has a 90.0% capacity retention after 400 charge/discharge cycles and a capacity of 1.2 mAh/cm 2 in a carbonate-based electrolyte. Finally, this proof-of-concept study provides a new direction for regulating the interfacial chemistry of Li metal anodes and for enabling high-performance Li-metal batteries.« less

Interfacial Chemistry Regulation via a Skin-Grafting Strategy Enables High-Performance Lithium-Metal Batteries

DOE PAGES

Gao, Yue; Zhao, Yuming; Li, Yuguang C.; ...

2017-10-06

The lithium (Li) metal anode suffers severe interfacial instability from its high reactivity toward liquid electrolytes, especially carbonate-based electrolytes, resulting in poor electrochemical performance of batteries that use 4 V high-capacity cathodes. In this paper, we report a new skin-grafting strategy that stabilizes the Li metal–liquid electrolyte interface by coating the Li metal surface with poly((N-2,2-dimethyl-1,3-dioxolane-4-methyl)-5-norbornene-exo-2,3-dicarboximide), a chemically and electrochemically active polymer layer. This layer, composed of cyclic ether groups with a stiff polycyclic main chain, serves as a grafted polymer skin on the Li metal anode not only to incorporate ether-based polymeric components into the solid-electrolyte interphase (SEI) butmore » also to accommodate Li deposition/dissolution under the skin in a dendrite/moss-free manner. Consequently, a Li-metal battery employing a Li metal anode with the grafted skin paired with LiNi 0.5Co 0.2Mn 0.3O 2 cathode has a 90.0% capacity retention after 400 charge/discharge cycles and a capacity of 1.2 mAh/cm 2 in a carbonate-based electrolyte. Finally, this proof-of-concept study provides a new direction for regulating the interfacial chemistry of Li metal anodes and for enabling high-performance Li-metal batteries.« less

Investigation of mucus transport in an idealized lung airway model using multiphase CFD analysis

NASA Astrophysics Data System (ADS)

Rajendran, Rahul; Banerjee, Arindam

2015-11-01

Mucus, a Bingham fluid is transported in the pulmonary airways by consistent beating of the cilia and exhibits a wide range of physical properties in response to the core air flow and various pathological conditions. A better understanding of the interfacial instability is required as it plays a crucial role in gas transport, mixing, mucus clearance and drug delivery. In the current study, mucus is modelled as a Newtonian fluid and the two phase gas-liquid flow in the airways is investigated using an inhomogeneous Eulerian-Eulerian approach. The complex interface between the phases is tracked using the conventional VOF (Volume of Fluid) method. Results from our CFD simulations which are performed in idealized single and double bifurcation geometries will be presented and the influence of airflow rate, mucus layer thickness, mucus viscosity, airway geometry (branching & diameter) and surface tension on mucus flow behavior will be discussed. Mean mucus layer thickness, pressure drop due to momentum transfer & increased airway resistance, mucus transport speed and the flow morphology will be compared to existing experimental and theoretical data.

Application of the lattice Boltzmann method for simulation of the mold filling process in the casting industry

NASA Astrophysics Data System (ADS)

Szucki, Michal; Suchy, J. S.; Lelito, J.; Malinowski, P.; Sobczyk, J.

2017-12-01

The aim of this work is the development of the lattice Boltzmann model for simulation of the mold filling process. The authors present a simplified approach to the modeling of liquid metal-gas flows with particular emphasis on the interactions between these phases. The boundary condition for momentum transfer of the moving free surface to the gaseous phase is shown. Simultaneously, the method for modeling influence of gas back pressure on a position and shape of the interfacial boundary is explained in details. The problem of the lattice Boltzmann method (LBM) stability is also analyzed. Since large differences in viscosity of both fluids are a source of the model instability, the so-called fractional step (FS) method allowing to improve the computation stability is applied. The presented solution is verified on the bases of the available reference data and the results of experiments. It is shown that the model describes properly such effects as: gas bubbles formation and air back pressure, accompanying liquid-gas flows in the casting mold. At the same time the proposed approach is easy to be implemented and characterized by a lower demand of operating memory as compared to typical LBM models of two-phase flows.

Long-wave-instability-induced pattern formation in an evaporating sessile or pendent liquid layer

NASA Astrophysics Data System (ADS)

Wei, Tao; Duan, Fei

2018-03-01

We investigate the nonlinear dynamics and stability of an evaporating liquid layer subject to vapor recoil, capillarity, thermocapillarity, ambient cooling, viscosity, and negative or positive gravity combined with buoyancy effects in the lubrication approximation. Using linear theory, we identify the mechanisms of finite-time rupture, independent of thermocapillarity and direction of gravity, and predict the effective growth rate of an interfacial perturbation which reveals competition among the mechanisms. A stability diagram is predicted for the onset of long-wave (LW) evaporative convection. In the two-dimensional simulation, we observe well-defined capillary ridges on both sides of the valley under positive gravity and main and secondary droplets under negative gravity, while a ridge can be trapped in a large-scale drained region in both cases. Neglecting the other non-Boussinesq effects, buoyancy does not have a significant influence on interfacial evolution and rupture time but makes contributions to the evaporation-driven convection and heat transfer. The average Nusselt number is found to increase with a stronger buoyancy effect. The flow field and interface profile jointly manifest the LW Marangoni-Rayleigh-Bénard convection under positive gravity and the LW Marangoni convection under negative gravity. In the three-dimensional simulation of moderate evaporation with a random perturbation, the rupture patterns are characterized by irregular ridge networks with distinct height scales for positive and negative gravity. A variety of interfacial and internal dynamics are displayed, depending on evaporation conditions, gravity, Marangoni effect, and ambient cooling. Reasonable agreement is found between the present results and the reported experiments and simulations. The concept of dissipative compacton also sheds light on the properties of interfacial fractalization.

Modelling of AlAs/GaAs interfacial structures using high-angle annular dark field (HAADF) image simulations.

PubMed

Robb, Paul D; Finnie, Michael; Craven, Alan J

2012-07-01

High angle annular dark field (HAADF) image simulations were performed on a series of AlAs/GaAs interfacial models using the frozen-phonon multislice method. Three general types of models were considered-perfect, vicinal/sawtooth and diffusion. These were chosen to demonstrate how HAADF image measurements are influenced by different interfacial structures in the technologically important III-V semiconductor system. For each model, interfacial sharpness was calculated as a function of depth and compared to aberration-corrected HAADF experiments of two types of AlAs/GaAs interfaces. The results show that the sharpness measured from HAADF imaging changes in a complicated manner with thickness for complex interfacial structures. For vicinal structures, it was revealed that the type of material that the probe projects through first of all has a significant effect on the measured sharpness. An increase in the vicinal angle was also shown to generate a wider interface in the random step model. The Moison diffusion model produced an increase in the interface width with depth which closely matched the experimental results of the AlAs-on-GaAs interface. In contrast, the interface width decreased as a function of depth in the linear diffusion model. Only in the case of the perfect model was it possible to ascertain the underlying structure directly from HAADF image analysis. Copyright © 2012 Elsevier B.V. All rights reserved.

Influence of interfacial viscosity on the dielectrophoresis of drops

NASA Astrophysics Data System (ADS)

Mandal, Shubhadeep; Chakraborty, Suman

2017-05-01

The dielectrophoresis of a Newtonian uncharged drop in the presence of an axisymmetric nonuniform DC electric field is studied analytically. The present study is focused on the effects of interfacial viscosities on the dielectrophoretic motion and shape deformation of an isolated suspended drop. The interfacial viscosities generate surface-excess viscous stress which is modeled as a two-dimensional Newtonian fluid which obeys the Boussinesq-Scriven constitutive law with constant values of interfacial tension, interfacial shear, and dilatational viscosities. In the regime of small drop deformation, we have obtained analytical solution for the drop velocity and deformed shape by neglecting surface charge convection and fluid inertia. Our study demonstrates that the drop velocity is independent of the interfacial shear viscosity, while the interfacial dilatational viscosity strongly affects the drop velocity. The interfacial viscous effects always retard the dielectrophoretic motion of a perfectly conducting/dielectric drop. Notably, the interfacial viscous effects can retard or augment the dielectrophoretic motion of a leaky dielectric drop depending on the electrohydrodynamic properties. The shape deformation of a leaky dielectric drop is found to decrease (or increase) due to interfacial shear (or dilatational) viscosity.

Experiment-scale molecular simulation study of liquid crystal thin films

NASA Astrophysics Data System (ADS)

Nguyen, Trung Dac; Carrillo, Jan-Michael Y.; Matheson, Michael A.; Brown, W. Michael

2014-03-01

Supercomputers have now reached a performance level adequate for studying thin films with molecular detail at the relevant scales. By exploiting the power of GPU accelerators on Titan, we have been able to perform simulations of characteristic liquid crystal films that provide remarkable qualitative agreement with experimental images. We have demonstrated that key features of spinodal instability can only be observed with sufficiently large system sizes, which were not accessible with previous simulation studies. Our study emphasizes the capability and significance of petascale simulations in providing molecular-level insights in thin film systems as well as other interfacial phenomena.

Interlaminar stresses in composite laminates: A perturbation analysis

NASA Technical Reports Server (NTRS)

Hsu, P. W.; Herakovich, C. T.

1976-01-01

A general method of solution for an elastic balanced symmetric composite laminate subject to a uniaxial extension was developed based upon a perturbation analysis of a limiting free body containing an interfacial plane. The solution satisfies more physical requirements and boundary conditions than previous investigations, and predicts smooth continuous interlaminar stresses with no instabilities. It determines the finite maximum intensity for the interlaminar normal stress in all laminates, provides mathematical evidences for the singular stresses in angle-ply laminates, suggests the need for the experimental determination of an important problem parameter, and introduces a viable means for solving related problems of practical interest.

Modeling interfacial area transport in multi-fluid systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yarbro, Stephen Lee

1996-11-01

Many typical chemical engineering operations are multi-fluid systems. They are carried out in distillation columns (vapor/liquid), liquid-liquid contactors (liquid/liquid) and other similar devices. An important parameter is interfacial area concentration, which determines the rate of interfluid heat, mass and momentum transfer and ultimately, the overall performance of the equipment. In many cases, the models for determining interfacial area concentration are empirical and can only describe the cases for which there is experimental data. In an effort to understand multiphase reactors and the mixing process better, a multi-fluid model has been developed as part of a research effort to calculate interfacialmore » area transport in several different types of in-line static mixers. For this work, the ensemble-averaged property conservation equations have been derived for each fluid and for the mixture. These equations were then combined to derive a transport equation for the interfacial area concentration. The final, one-dimensional model was compared to interfacial area concentration data from two sizes of Kenics in-line mixer, two sizes of concurrent jet and a Tee mixer. In all cases, the calculated and experimental data compared well with the highest scatter being with the Tee mixer comparison.« less

A finite element analysis of the freeze/thaw behavior of external artery heat pipes

NASA Technical Reports Server (NTRS)

Lu, X. J.; Peterson, G. P.

1993-01-01

A two-dimensional finite element model was used to determine the freeze/thaw characteristics of an external artery heat pipe. During startup, the working fluid, which was located in the liquid channel and the circumferential wall grooves, experienced a phase transformation from a solid to a liquid state. The transient heat conduction equations with moving interfacial conditions were solved using the appropriate initial boundary conditions. The modelling results include the cross-sectional temperature distribution and the interfacial or melt front position as a function of time. A fixed grid approach was adopted in the model for the phase-change process during thawing of frozen working fluid. The interfacial position between the liquid and solid regions was found by balancing the latent heat caused by interfacial movement with the heat addition or extraction at the related grid points.

Tunable Interfacial Thermal Conductance by Molecular Dynamics

NASA Astrophysics Data System (ADS)

Shen, Meng

We study the mechanism of tunable heat transfer through interfaces between solids using a combination of non-equilibrium molecular dynamics simulation (NEMD), vibrational mode analysis and wave packet simulation. We investigate how heat transfer through interfaces is affected by factors including pressure, interfacial modulus, contact area and interfacial layer thickness, with an overreaching goal of developing fundamental knowledge that will allow one to tailor thermal properties of interfacial materials. The role of pressure and interfacial stiffness is unraveled by our studies on an epitaxial interface between two Lennard-Jones (LJ) crystals. The interfacial stiffness is varied by two different methods: (i) indirectly by applying pressure which due to anharmonic nature of bonding, increases interfacial stiffness, and (ii) directly by changing the interfacial bonding strength by varying the depth of the potential well of the LJ potential. When the interfacial bonding strength is low, quantitatively similar behavior to pressure tuning is observed when the interfacial thermal conductance is increased by directly varying the potential-well depth parameter of the LJ potential. By contrast, when the interfacial bonding strength is high, thermal conductance is almost pressure independent, and even slightly decreases with increasing pressure. This decrease can be explained by the change in overlap between the vibrational densities of states of the two crystalline materials. The role of contact area is studied by modeling structures comprised of Van der Waals junctions between single-walled nanotubes (SWCNT). Interfacial thermal conductance between SWCNTs is obtained from NEMD simulation as a function of crossing angle. In this case the junction conductance per unit area is essentially a constant. By contrast, interfacial thermal conductance between multiwalled carbon nanotubes (MWCNTs) is shown to increase with diameter of the nanotubes by recent experimental studies [1]. To elucidate this behavior we studied a simplified model comprised of an interface between two stacks of graphene ribbons to mimic the contact between multiwalled nanotubes. Our results, in agreement with experiment, show that the interfacial thermal conductance indeed increases with the number of graphene layers, corresponding to larger diameter and larger number of walls in MWCNT. The role of interfacial layer thickness is investigated by modeling a system of a few layers of graphene sandwiched between two silicon slabs. We show, by wave packet simulation and by theoretical calculation of a spring-mass model, that the transmission coefficient of individual vibrational modes is strongly dependent on the frequency and the number of graphene layers due to coherent interference effects; by contrast, the interfacial thermal conductance obtained in NEMD simulation, which represents an integral over all phonons, is essentially independent of the number of graphene layers, in agreement with recent experiments. Furthermore, when we heat one atomic layer of graphene directly, the effective interfacial conductance associated with heat dissipation to the silicon substrate is very small. We attribute this to the resistance associated with heat transfer between high and low frequency phonon modes within graphene. Finally, we also replaced graphene layers by a few WSe2 sheets and observed that interfacial thermal resistance of a Si/n-WSe2/Si structure increases linearly with interface thickness at least for 1 < n <= 20, indicating diffusive heat transfer mechanism, in contrast to ballistic behavior of a few graphene layers. The corresponding thermal conductivity (0.048 W m-1 K-1) of a few WSe2 layers is rather small. By comparing phonon dispersion of graphene layers and WSe2 sheets, we attribute the diffusive behavior of a few WSe2 sheets to abundant optical phonons at low and medium frequencies leading to very short mean free path. Our computational studies of effects of pressure and structural properties on interfacial thermal conductance provide fundamental insights for tunable heat transfer in nanostructures. [1] Professor D. Y. Li from University of Vanderbilt, private communication (Nov. 14, 2011).

On The Dynamics And Kinematics Of Two Fluid Phase Flow In Porous Media

DTIC Science & Technology

2015-06-16

fluid-fluid interfacial area density in a two-fluid-system. This dynamic equation set is unique to this work, and the importance of the modeled...saturation data intended to denote an equilibrium state is likely a sampling from a dynamic system undergoing changes of interfacial curvatures that are not... interfacial area density in a two-fluid-system. This dynamic equation set is unique to this work, and the importance of the modeled physics is shown

A phenomenological model of coating/substrate adhesion and interfacial bimetallic peeling stress in composite mirrors

NASA Technical Reports Server (NTRS)

Mcelroy, Paul M.; Lawson, Daniel D.

1990-01-01

Adhesion and interfacial stress between metal films and structural composite material substrates is discussed. A theoretical and conceptual basis for selecting coating materials for composite mirror substrates is described. A phenomenological model that interrelates cohesive tensile strength of thin film coatings and interfacial peeling stresses is presented. The model serves as a basis in determining gradiated materials response and compatibility of composite substrate and coating combinations. Parametric evaluation of material properties and geometrical factors such as coating thickness are used to determine the threshold stress levels for maintaining adhesion at the different interfaces.

Interfacial electrofluidics in confined systems

PubMed Central

Tang, Biao; Groenewold, Jan; Zhou, Min; Hayes, Robert A.; Zhou, Guofu (G.F.)

2016-01-01

Electrofluidics is a versatile principle that can be used for high speed actuation of liquid interfaces. In most of the applications, the fundamental mechanism of electro-capillary instability plays a crucial role, yet it’s potential richness in confined fluidic layers has not been well addressed. Electrofluidic displays which are comprised of thin pixelated colored films in a range of architectures are excellent systems for studying such phenomena. In this study we show theoretically and experimentally that confinement leads to the generation of a cascade of voltage dependent modes as a result of the electro-capillary instability. In the course of reconciling theory with our experimental data we have observed a number of previously unreported phenomena such as a significant induction time (several milliseconds) prior to film rupture as well as a rupture location not corresponding to the minimum electric field strength in the case of the standard convex water/oil interface used in working devices. These findings are broadly applicable to a wide range of switchable electrofluidic applications and devices having confined liquid films. PMID:27221211

Exact Solution to Stationary Onset of Convection Due to Surface Tension Variation in a Multicomponent Fluid Layer With Interfacial Deformation

NASA Technical Reports Server (NTRS)

Skarda, J. Raymond Lee; McCaughan, Frances E.

1998-01-01

Stationary onset of convection due to surface tension variation in an unbounded multicomponent fluid layer is considered. Surface deformation is included and general flux boundary conditions are imposed on the stratifying agencies (temperature/composition) disturbance equations. Exact solutions are obtained to the general N-component problem for both finite and infinitesimal wavenumbers. Long wavelength instability may coexist with a finite wavelength instability for certain sets of parameter values, often referred to as frontier points. For an impermeable/insulated upper boundary and a permeable/conductive lower boundary, frontier boundaries are computed in the space of Bond number, Bo, versus Crispation number, Cr, over the range 5 x 10(exp -7) less than or equal to Bo less than or equal to 1. The loci of frontier points in (Bo, Cr) space for different values of N, diffusivity ratios, and, Marangoni numbers, collapsed to a single curve in (Bo, D(dimensional variable)Cr) space, where D(dimensional variable) is a Marangoni number weighted diffusivity ratio.

Experimental viscous fingering in a tapered radial Hele-Shaw cell

NASA Astrophysics Data System (ADS)

Bongrand, Gregoire; Tsai, Peichun Amy; Complex Fludis Group Team

2017-11-01

The fluid-fluid displacement in porous media is a common process that finds direct applications in various fields, such as enhanced oil recovery and geological CO2 sequestration. In this work, we experimentally investigate the influence of converging cells on viscous fingering instabilities using a radially-tapered cell. For air displacing oil, in contrast to the classical Saffman-Taylor fingering, our results show that a converging gradient in a radial propagation can provide a stabilizing effect and hinder fingering. For a fixed gap gradient and thickness, with increasing injection rates we find a stable displacement under small flow rates, whereas unstable fingering occurs above a certain threshold. We further investigate this critical flow rate delineating the stable and unstable regimes for different gap gradients. These results reveal that the displacement efficiency not only depends on the fluid properties but also on the interfacial velocity and channel structure. The latter factors provide a useful and convenient control to either trigger or inhibit fingering instability. NSERC Discovery, Accelerator, and CRC programs.

Viscous Fingering on an Immiscible Reactive Interface with Variation of Interfacial Tension

NASA Astrophysics Data System (ADS)

Tsuzuki, Reiko; Nagatsu, Yuichiro; Li, Qian; Chen, Ching-Yao

2017-11-01

The effects of chemical reaction, in which surfactants are produced on the interface of two immiscible fluids, on viscous fingering in a radial Hele-Shaw flow are numerically investigated. The presence of surfactants reduces interfacial tension, which is an important factor to the fingering pattern formation. In the present study, influences of reaction rate and dispersion of produced surfactants, represented respectively by dimensionless parameters of Damkohler number and Peclet number, are evaluated systematically. Secondary fingering instability, e.g., tip-splitting and side-branching, is triggered by chemical reactions. Weaker surface tension generally induces tip-splitting. For the case of high Damkohler number, because of the vortex pairs generated within each finger, surfactant tends to accumulate significantly on the side of finger, so that side-branching is preferred. Nevertheless, side-branching is suppressed in the cases associated with low Peclet number, in which strong dispersion reduces the local variation of surfactant concentration. Considering the coupled effects by Damkohler number and Peclet number, the patterns obtained by the simulations qualitatively agree with the observations in the experiments.

On the nonlinear interfacial instability of rotating core-annular flow

NASA Technical Reports Server (NTRS)

Coward, Aidrian V.; Hall, Philip

1993-01-01

The interfacial stability of rotating core-annular flows is investigated. The linear and nonlinear effects are considered for the case when the annular region is very thin. Both asymptotic and numerical methods are used to solve the flow in the core and film regions which are coupled by a difference in viscosity and density. The long-term behavior of the fluid-fluid interface is determined by deriving its nonlinear evolution in the form of a modified Kuramoto-Sivashinsky equation. We obtain a generalization of this equation to three dimensions. The flows considered are applicable to a wide array of physical problems where liquid films are used to lubricate higher or lower viscosity core fluids, for which a concentric arrangement is desired. Linearized solutions show that the effects of density and viscosity stratification are crucial to the stability of the interface. Rotation generally destabilizes non-axisymmetric disturbances to the interface, whereas the centripetal forces tend to stabilize flows in which the film contains the heavier fluid. Nonlinear affects allow finite amplitude helically travelling waves to exist when the fluids have different viscosities.

Influence of Thermocapillary Flow on Capillary Stability: Long Float-Zones in Low Gravity

NASA Technical Reports Server (NTRS)

Chen, Yi-Ju; Steen, Paul H.

1996-01-01

A model problem is posed to study the influence of flow on the interfacial stability of a nearly cylindrical liquid bridge for lengths near its circumference (the Plateau-Rayleigh limit). The flow is generated by a shear stress imposed on the deformable interface. The symmetry of the imposed shear stress mimics the thermocapillary stress induced on a float-zone by a ring heater (i.e. a full zone). Principal assumptions are (1) zero gravity, (2) creeping flow, and (3) that the imposed coupling at the free surface between flow and temperature fields is the only such coupling. A numerical solution, complemented by a bifurcation analysis, shows that bridges substantially longer than the Plateau-Rayleigh limit are possible. An interaction of the first two capillary instabilities through the stress-induced flow is responsible. Time-periodic standing waves are also predicted in certain parameter ranges. Motivation comes from extra-long float-zones observed in MEPHISTO space lab experiments (June 1994).

Interfacial separation of a mature biofilm from a glass surface - A combined experimental and cohesive zone modelling approach.

PubMed

Safari, Ashkan; Tukovic, Zeljko; Cardiff, Philip; Walter, Maik; Casey, Eoin; Ivankovic, Alojz

2016-02-01

A good understanding of the mechanical stability of biofilms is essential for biofouling management, particularly when mechanical forces are used. Previous biofilm studies lack a damage-based theoretical model to describe the biofilm separation from a surface. The purpose of the current study was to investigate the interfacial separation of a mature biofilm from a rigid glass substrate using a combined experimental and numerical modelling approach. In the current work, the biofilm-glass interfacial separation process was investigated under tensile and shear stresses at the macroscale level, known as modes I and II failure mechanisms respectively. The numerical simulations were performed using a Finite Volume (FV)-based simulation package (OpenFOAM®) to predict the separation initiation using the cohesive zone model (CZM). Atomic force microscopy (AFM)-based retraction curve was used to obtain the separation properties between the biofilm and glass colloid at microscale level, where the CZM parameters were estimated using the Johnson-Kendall-Roberts (JKR) model. In this study CZM is introduced as a reliable method for the investigation of interfacial separation between a biofilm and rigid substrate, in which a high local stress at the interface edge acts as an ultimate stress at the crack tip.This study demonstrated that the total interfacial failure energy measured at the macroscale, was significantly higher than the pure interfacial separation energy obtained by AFM at the microscale, indicating a highly ductile deformation behaviour within the bulk biofilm matrix. The results of this study can significantly contribute to the understanding of biofilm detachments. Copyright © 2015 Elsevier Ltd. All rights reserved.

FEM Modeling of In-Plane Stress Distribution in Thick Brittle Coatings/Films on Ductile Substrates Subjected to Tensile Stress to Determine Interfacial Strength.

PubMed

Wang, Kaishi; Zhang, Fangzhou; Bordia, Rajendra K

2018-03-27

The ceramic-metal interface is present in various material structures and devices that are vulnerable to failures, like cracking, which are typically due to their incompatible properties, e.g., thermal expansion mismatch. In failure of these multilayer systems, interfacial shear strength is a good measure of the robustness of interfaces, especially for planar films. There is a widely-used shear lag model and method by Agrawal and Raj to analyse and measure the interfacial shear strength of thin brittle film on ductile substrates. The use of this classical model for a type of polymer derived ceramic coatings (thickness ~18 μm) on steel substrate leads to high values of interfacial shear strength. Here, we present finite element simulations for such a coating system when it is subjected to in-plane tension. Results show that the in-plane stresses in the coating are non-uniform, i.e., varying across the thickness of the film. Therefore, they do not meet one of the basic assumptions of the classical model: uniform in-plane stress. Furthermore, effects of three significant parameters, film thickness, crack spacing, and Young's modulus, on the in-plane stress distribution have also been investigated. 'Thickness-averaged In-plane Stress' (TIS), a new failure criterion, is proposed for estimating the interfacial shear strength, which leads to a more realistic estimation of the tensile strength and interfacial shear strength of thick brittle films/coatings on ductile substrates.

FEM Modeling of In-Plane Stress Distribution in Thick Brittle Coatings/Films on Ductile Substrates Subjected to Tensile Stress to Determine Interfacial Strength

PubMed Central

Zhang, Fangzhou; Bordia, Rajendra K.

2018-01-01

The ceramic-metal interface is present in various material structures and devices that are vulnerable to failures, like cracking, which are typically due to their incompatible properties, e.g., thermal expansion mismatch. In failure of these multilayer systems, interfacial shear strength is a good measure of the robustness of interfaces, especially for planar films. There is a widely-used shear lag model and method by Agrawal and Raj to analyse and measure the interfacial shear strength of thin brittle film on ductile substrates. The use of this classical model for a type of polymer derived ceramic coatings (thickness ~18 μm) on steel substrate leads to high values of interfacial shear strength. Here, we present finite element simulations for such a coating system when it is subjected to in-plane tension. Results show that the in-plane stresses in the coating are non-uniform, i.e., varying across the thickness of the film. Therefore, they do not meet one of the basic assumptions of the classical model: uniform in-plane stress. Furthermore, effects of three significant parameters, film thickness, crack spacing, and Young’s modulus, on the in-plane stress distribution have also been investigated. ‘Thickness-averaged In-plane Stress’ (TIS), a new failure criterion, is proposed for estimating the interfacial shear strength, which leads to a more realistic estimation of the tensile strength and interfacial shear strength of thick brittle films/coatings on ductile substrates. PMID:29584647

Interfacial characteristics of hybrid nanocomposite under thermomechanical loading

NASA Astrophysics Data System (ADS)

Choyal, Vijay; Kundalwal, Shailesh I.

2017-12-01

In this work, an improved shear lag model was developed to investigate the interfacial characteristics of three-phase hybrid nanocomposite which is reinforced with microscale fibers augmented with carbon nanotubes on their circumferential surfaces. The shear lag model accounts for (i) radial and axial deformations of different transversely isotropic constituents, (ii) thermomechanical loads on the representative volume element (RVE), and (iii) staggering effect of adjacent RVEs. The results from the current newly developed shear lag model are validated with the finite element simulations and found to be in good agreement. This study reveals that the reduction in the maximum value of the axial stress in the fiber and the interfacial shear stress along its length become more pronounced in the presence of applied thermomechanical loads on the staggered RVEs. The existence of shear tractions along the RVE length plays a significant role in the interfacial characteristics and cannot be ignored.

Interfacial Healing and Transport Phenomena Modeling ff Biopolymers

NASA Astrophysics Data System (ADS)

Lebron, Karla

This research focuses on the characterization of bioplastics joined using ultrasonic welding and modeling of temperature distributions and interfacial healing. Polylactic acid (PLA), which is typically derived from starch-rich crops such as corn, was studied. While the measurement of activation energy for interfacial healing at weld interfaces of PLA films has been reported, here, this information is used to predict the weld strength of rigid PLA samples welded by ultrasonics. A characterization of the mechanical properties was completed with a tensile test to determine the effects of amplitude, melt velocity and collapse distance on weld strength. From previous interfacial healing activation energy measurements based on an impulse welding method, it was also possible to predict weld strength. It was found that the most influential parameters were weld time, collapse distance and weld velocity. In general, the model predicted weld strength reasonably well with r2 values between 0.77 and 0.78.

First-Principles Prediction of Liquid/Liquid Interfacial Tension.

PubMed

Andersson, M P; Bennetzen, M V; Klamt, A; Stipp, S L S

2014-08-12

The interfacial tension between two liquids is the free energy per unit surface area required to create that interface. Interfacial tension is a determining factor for two-phase liquid behavior in a wide variety of systems ranging from water flooding in oil recovery processes and remediation of groundwater aquifers contaminated by chlorinated solvents to drug delivery and a host of industrial processes. Here, we present a model for predicting interfacial tension from first principles using density functional theory calculations. Our model requires no experimental input and is applicable to liquid/liquid systems of arbitrary compositions. The consistency of the predictions with experimental data is significant for binary, ternary, and multicomponent water/organic compound systems, which offers confidence in using the model to predict behavior where no data exists. The method is fast and can be used as a screening technique as well as to extend experimental data into conditions where measurements are technically too difficult, time consuming, or impossible.

The interaction of evaporative and convective instabilities

NASA Astrophysics Data System (ADS)

Ozen, O.

Evaporative convection arises in a variety of natural and industrial processes, such as drying of lakebeds, heat pipe technology and dry-eye syndrome. The phenomenon of evaporative convection leads to an interfacial instability where an erstwhile flat surface becomes undulated as a control variable, such as temperature drop, exceeds a critical value. This instability has been investigated by others assuming that the vapor phase is infinitely deep and passive, i.e. vapor fluid dynamics has been ignored. However, when we look at some engineering processes, such as distillation columns, heat pipes and drying technologies where phase change takes place we might imagine that the assumption of an infinitely deep vapor layer or at least that of a passive vapor is inappropriate. Previous work on convection in bilayer systems with no phase-change suggests that active vapor layers play a major role in determining the stability of an interface. Hence, for the case of convection with phase-change, we will address this issue and try to answer the question whether the infinitely deep and passive vapor layer is a valid assumption. We have also investigated, theoretically, the gravity and surface tension gradient-driven instabilities occurring during the evaporation of a liquid into its own vapor taking into account the fluid dynamics of both phases and the finiteness of the domains of each phase, i.e. the liquid and its vapor are assumed to be confined between two horizontal plates, and different heating arrangements are applied. The effects of fluid layer depths, the evaporation rate and the temperature gradient applied across the fluids on the stability of the interface are studied. The modes of the flow pattern are determined for each scenario. The physics of the instability are explained and a comparison is made with the results of similar, yet physically different problems.

Improving the durability of the optical fiber sensor based on strain transfer analysis

NASA Astrophysics Data System (ADS)

Wang, Huaping; Jiang, Lizhong; Xiang, Ping

2018-05-01

To realize the reliable and long-term strain detection, the durability of optical fiber sensors has attracted more and more attention. The packaging technique has been considered as an effective method, which can enhance the survival ratios of optical fiber sensors to resist the harsh construction and service environment in civil engineering. To monitor the internal strain of structures, the embedded installation is adopted. Due to the different material properties between host material and the protective layer, the monitored structure embedded with sensors can be regarded as a typical model containing inclusions. Interfacial characteristic between the sensor and host material exists obviously, and the contacted interface is prone to debonding failure induced by the large interfacial shear stress. To recognize the local interfacial debonding damage and extend the effective life cycle of the embedded sensor, strain transfer analysis of a general three-layered sensing model is conducted to investigate the failure mechanism. The perturbation of the embedded sensor on the local strain field of host material is discussed. Based on the theoretical analysis, the distribution of the interfacial shear stress along the sensing length is characterized and adopted for the diagnosis of local interfacial debonding, and the sensitive parameters influencing the interfacial shear stress are also investigated. The research in this paper explores the interfacial debonding failure mechanism of embedded sensors based on the strain transfer analysis and provides theoretical basis for enhancing the interfacial bonding properties and improving the durability of embedded optical fiber sensors.

Nonequilibrium Interfacial Tension in Simple and Complex Fluids

NASA Astrophysics Data System (ADS)

Truzzolillo, Domenico; Mora, Serge; Dupas, Christelle; Cipelletti, Luca

2016-10-01

Interfacial tension between immiscible phases is a well-known phenomenon, which manifests itself in everyday life, from the shape of droplets and foam bubbles to the capillary rise of sap in plants or the locomotion of insects on a water surface. More than a century ago, Korteweg generalized this notion by arguing that stresses at the interface between two miscible fluids act transiently as an effective, nonequilibrium interfacial tension, before homogenization is eventually reached. In spite of its relevance in fields as diverse as geosciences, polymer physics, multiphase flows, and fluid removal, experiments and theoretical works on the interfacial tension of miscible systems are still scarce, and mostly restricted to molecular fluids. This leaves crucial questions unanswered, concerning the very existence of the effective interfacial tension, its stabilizing or destabilizing character, and its dependence on the fluid's composition and concentration gradients. We present an extensive set of measurements on miscible complex fluids that demonstrate the existence and the stabilizing character of the effective interfacial tension, unveil new regimes beyond Korteweg's predictions, and quantify its dependence on the nature of the fluids and the composition gradient at the interface. We introduce a simple yet general model that rationalizes nonequilibrium interfacial stresses to arbitrary mixtures, beyond Korteweg's small gradient regime, and show that the model captures remarkably well both our new measurements and literature data on molecular and polymer fluids. Finally, we briefly discuss the relevance of our model to a variety of interface-driven problems, from phase separation to fracture, which are not adequately captured by current approaches based on the assumption of small gradients.

DYNAMIC MODELING STRATEGY FOR FLOW REGIME TRANSITION IN GAS-LIQUID TWO-PHASE FLOWS

DOE Office of Scientific and Technical Information (OSTI.GOV)

X. Wang; X. Sun; H. Zhao

In modeling gas-liquid two-phase flows, the concept of flow regime has been used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are often flow regime dependent. Currently, the determination of the flow regimes is primarily based on flow regime maps or transition criteria, which are developed for steady-state, fully-developed flows and widely applied in nuclear reactor system safety analysis codes, such as RELAP5. As two-phase flows are observed to be dynamic in nature (fully-developed two-phase flows generally do notmore » exist in real applications), it is of importance to model the flow regime transition dynamically for more accurate predictions of two-phase flows. The present work aims to develop a dynamic modeling strategy for determining flow regimes in gas-liquid two-phase flows through the introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation and destruction of the interfacial area, such as the fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation; and fluid particle coalescence and condensation, respectively. For the flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shape (which are correlated), namely small bubbles and large bubbles. A preliminary approach to dynamically identifying the flow regimes is provided, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration of small bubble and large bubble groups. This method is expected to be applied to computer codes to improve their predictive capabilities of gas-liquid two-phase flows, in particular for the applications in which flow regime transition occurs.« less

Inelastic deformation of metal matrix composites

NASA Technical Reports Server (NTRS)

Lissenden, C. J.; Herakovich, C. T.; Pindera, M-J.

1993-01-01

A theoretical model capable of predicting the thermomechanical response of continuously reinforced metal matrix composite laminates subjected to multiaxial loading was developed. A micromechanical model is used in conjunction with nonlinear lamination theory to determine inelastic laminae response. Matrix viscoplasticity, residual stresses, and damage to the fiber/matrix interfacial zone are explicitly included in the model. The representative cell of the micromechanical model is considered to be in a state of generalized plane strain, enabling a quasi two-dimensional analysis to be performed. Constant strain finite elements are formulated with elastic-viscoplastic constitutive equations. Interfacial debonding is incorporated into the model through interface elements based on the interfacial debonding theory originally presented by Needleman, and modified by Tvergaard. Nonlinear interfacial constitutive equations relate interfacial tractions to displacement discontinuities at the interface. Theoretical predictions are compared with the results of an experimental program conducted on silicon carbide/titanium (SiC/Ti) unidirectional, (O4), and angle-ply, (+34)(sub s), tubular specimens. Multiaxial loading included increments of axial tension, compression, torque, and internal pressure. Loadings were chosen in an effort to distinguish inelastic deformation due to damage from matrix plasticity and separate time-dependent effects from time-independent effects. Results show that fiber/matrix debonding is nonuniform throughout the composite and is a major factor in the effective response. Also, significant creep behavior occurs at relatively low applied stress levels at room temperature.

Characterization methods for liquid interfacial layers

NASA Astrophysics Data System (ADS)

Javadi, A.; Mucic, N.; Karbaschi, M.; Won, J. Y.; Lotfi, M.; Dan, A.; Ulaganathan, V.; Gochev, G.; Makievski, A. V.; Kovalchuk, V. I.; Kovalchuk, N. M.; Krägel, J.; Miller, R.

2013-05-01

Liquid interfaces are met everywhere in our daily life. The corresponding interfacial properties and their modification play an important role in many modern technologies. Most prominent examples are all processes involved in the formation of foams and emulsions, as they are based on a fast creation of new surfaces, often of an immense extension. During the formation of an emulsion, for example, all freshly created and already existing interfaces are permanently subject to all types of deformation. This clearly entails the need of a quantitative knowledge on relevant dynamic interfacial properties and their changes under conditions pertinent to the technological processes. We report on the state of the art of interfacial layer characterization, including the determination of thermodynamic quantities as base line for a further quantitative analysis of the more important dynamic interfacial characteristics. Main focus of the presented work is on the experimental possibilities available at present to gain dynamic interfacial parameters, such as interfacial tensions, adsorbed amounts, interfacial composition, visco-elastic parameters, at shortest available surface ages and fastest possible interfacial perturbations. The experimental opportunities are presented along with examples for selected systems and theoretical models for a best data analysis. We also report on simulation results and concepts of necessary refinements and developments in this important field of interfacial dynamics.

Direct Numerical Simulation of Surfactant-Stabilized Emulsions Morphology and Shear Viscosity in Starting Shear Flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roar Skartlien; Espen Sollum; Andreas Akselsen

2012-07-01

A 3D lattice Boltzmann model for two-phase flow with amphiphilic surfactant was used to investigate the evolution of emulsion morphology and shear stress in starting shear flow. The interfacial contributions were analyzed for low and high volume fractions and varying surfactant activity. A transient viscoelastic contribution to the emulsion rheology under constant strain rate conditions was attributed to the interfacial stress. For droplet volume fractions below 0.3 and an average capillary number of about 0.25, highly elliptical droplets formed. Consistent with affine deformation models, gradual elongation of the droplets increased the shear stress at early times and reduced it atmore » later times. Lower interfacial tension with increased surfactant activity counterbalanced the effect of increased interfacial area, and the net shear stress did not change significantly. For higher volume fractions, co-continuous phases with a complex topology were formed. The surfactant decreased the interfacial shear stress due mainly to advection of surfactant to higher curvature areas. Our results are in qualitative agreement with experimental data for polymer blends in terms of transient interfacial stresses and limited enhancement of the emulsion viscosity at larger volume fractions where the phases are co-continuous.« less

Interfacial activity in alkaline flooding enhanced oil recovery

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chan, M.K.

1981-01-01

The ionization of long-chained organic acids in the crude oil to form soaps was shown to be primarily responsible for the lowering of oil-water interfacial tension at alkaline pH. These active acids can be concentrated by silica gel chromatography into a minor polar fraction. An equilibrium chemical model was proposed based on 2 competing reactions: the ionization of acids to form active anions, and the formation of undissociated soap between acid anions and sodium ions. It correlates the interfacial activity with the interfacial concentration of active acid anions which is expressed in terms of the concentrations of the chemical speciesmore » in the system. The model successfully predicts the observed oil-alkaline solution interfacial phenomenon, including its dependence on pH, alkali and salt concentrations, type of acid present and type of soap formed. Flooding at different alkali concentrations to activate different acid species present in the crude was shown to give better recovery than flooding at a single high alkali concentration. Treating the crude oil with a dilute solution of mineral acids liberates additional free active acids and yields better interfacial activity during subsequent alkali contact.« less

Interfacial behavior of alkaline protease at the air-water and oil-water interfaces

NASA Astrophysics Data System (ADS)

Zhang, Jian; Li, Yanyan; Wang, Jing; Zhang, Yue

2018-03-01

The interfacial behavior of alkaline protease at the air-water and n-hexane-water interfaces was investigated using interfacial tension, dilatational rheology and dynamic light scattering. Additionally, different adsorption models which are Langmuir, Frumkin, Reorientation-A and Reorientation-R were used to fitting the data of equilibrium interfacial tension for further understanding the interfacial behavior of alkaline protease. Data fitting of the equilibrium interfacial tension was achieved by IsoFit software. The results show that the molecules arrangement of the alkaline protease at the n-hexane-water interface is more tightly than at the air-water interface. The data were further analyzed to indicate that the hydrophobic chains of alkaline protease penetrate into oil phase deeper than the air phase. Also data indicate that the electrostatic interactions and hydrophobic interactions at the n-hexane-water interface are stronger than at the air-water interface within molecules of the alkaline protease. Based on comprehensive analysis of the adsorption kinetics and interfacial rheological properties, interfacial structures mechanism of alkaline protease at n-hexane-water and air-water interfaces was proposed.

Effect of demulsifier partitioning on the destabilization of water-in-oil emulsions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Y.H.; Wasan, D.T.

1996-04-01

The factors affecting the demulsification and interfacial behavior of water-in-oil emulsions in the presence of oil-soluble demulsifiers were investigated. Using both model water-in-oil and water-in-crude oil emulsion systems with demulsifiers with different chemical structures, the effects of demulsifier partitioning on the interfacial and film rheological properties were studied. The experimental results were compared and related with the demulsifier performance. There is a one-to-one correlation between the performance of demulsifier and the interfacial activity of the partitioned demulsifier; the partitioned demulsifier components exhibit an increase in static and dynamic interfacial activity, low dynamic interfacial and film tension, and a low filmmore » dilational modulus with a high adsorption rate - low interfacial tension gradient (Marangoni-Gibbs stabilizing effect) and have excellent demulsification performance.« less

A CSF-SPH method for simulating drainage and imbibition at pore-scale resolution while tracking interfacial areas

NASA Astrophysics Data System (ADS)

Sivanesapillai, Rakulan; Falkner, Nadine; Hartmaier, Alexander; Steeb, Holger

2016-09-01

We present a conservative smoothed particle hydrodynamics (SPH) model to study the flow of multiple, immiscible fluid phases in porous media using direct pore-scale simulations. Particular focus is put on continuously tracking the evolution of interfacial areas, which are considered to be important morphological quantities affecting multiphase transport in porous media. In addition to solving the Navier-Stokes equations, the model accounts for the effects of capillarity at interfaces and contact lines. This is done by means of incorporating the governing interfacial mass and momentum balances using the continuum surface force (CSF) method, thus rendering model calibration routines unnecessary and minimizing the set of constitutive and kinematic assumptions. We address the application of boundary conditions at rigid solid surfaces and study the predictive capability of the model as well as optimal choices for numerical parameters using an extensive model validation procedure. We demonstrate the applicability of the model to simulate multiphase flows involving partial wettability, dynamic effects, large density ratios (up to 1000), large viscosity ratios (up to 100), as well as fragmentation and coalescence of fluid phases. The model is used to study the evolution of fluid-fluid interfacial areas during saturation-controlled primary drainage and main imbibition of heterogeneous pore spaces at low capillary numbers. A variety of pore-scale effects, such as wetting phase entrapment and fragmentation due to snap-off, are observed. Specific fluid-fluid interfacial area is observed to monotonically increase during primary drainage and hysteretic effects are apparent during main imbibition.

Vapour-liquid interfacial properties of square-well chains from density functional theory and Monte Carlo simulation.

PubMed

Martínez-Ruiz, Francisco José; Blas, Felipe J; Moreno-Ventas Bravo, A Ignacio; Míguez, José Manuel; MacDowell, Luis G

2017-05-17

The statistical associating fluid theory for attractive potentials of variable range (SAFT-VR) density functional theory (DFT) developed by [Gloor et al., J. Chem. Phys., 2004, 121, 12740-12759] is used to predict the interfacial behaviour of molecules modelled as fully-flexible square-well chains formed from tangentially-bonded monomers of diameter σ and potential range λ = 1.5σ. Four different model systems, comprising 4, 8, 12, and 16 monomers per molecule, are considered. In addition to that, we also compute a number of interfacial properties of molecular chains from direct simulation of the vapour-liquid interface. The simulations are performed in the canonical ensemble, and the vapour-liquid interfacial tension is evaluated using the wandering interface (WIM) method, a technique based on the thermodynamic definition of surface tension. Apart from surface tension, we also obtain density profiles, coexistence densities, vapour pressures, and critical temperature and density, paying particular attention to the effect of the chain length on these properties. According to our results, the main effect of increasing the chain length (at fixed temperature) is to sharpen the vapour-liquid interface and to increase the width of the biphasic coexistence region. As a result, the interfacial thickness decreases and the surface tension increases as the molecular chains get longer. The interfacial thickness and surface tension appear to exhibit an asymptotic limiting behaviour for long chains. A similar behaviour is also observed for the coexistence densities and critical properties. Agreement between theory and simulation results indicates that SAFT-VR DFT is only able to predict qualitatively the interfacial properties of the model. Our results are also compared with simulation data taken from the literature, including the vapour-liquid coexistence densities, vapour pressures, and surface tension.

The ensemble switch method for computing interfacial tensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmitz, Fabian; Virnau, Peter

2015-04-14

We present a systematic thermodynamic integration approach to compute interfacial tensions for solid-liquid interfaces, which is based on the ensemble switch method. Applying Monte Carlo simulations and finite-size scaling techniques, we obtain results for hard spheres, which are in agreement with previous computations. The case of solid-liquid interfaces in a variant of the effective Asakura-Oosawa model and of liquid-vapor interfaces in the Lennard-Jones model are discussed as well. We demonstrate that a thorough finite-size analysis of the simulation data is required to obtain precise results for the interfacial tension.

Development of One-Group and Two-Group Interfacial Area Transport Equation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ishii, M.; Kim, S.

A dynamic approach employing the interfacial area transport equation is presented to replace the static flow regime dependent correlations for the interfacial area concentration. The current study derives the transport equations for the bubble number, volume, and interfacial area concentration. Accounting for the substantial differences in the transport phenomena of various sizes of bubbles, both one-group and two-group interfacial area transport equations are developed along with the necessary constitutive relations. The framework for the complicated source and sink terms in the two-group transport equation is also presented by identifying the major intragroup and intergroup bubble interaction mechanisms. In view ofmore » evaluating the theoretical model, the one-group interfacial area transport equation is benchmarked based on the available data obtained in a wide range of air-water bubbly flow in round tubes of various diameters. In general, the results show good agreement within the measurement error of {+-}10%.« less

Bifurcation of elastic solids with sliding interfaces

NASA Astrophysics Data System (ADS)

Bigoni, D.; Bordignon, N.; Piccolroaz, A.; Stupkiewicz, S.

2018-01-01

Lubricated sliding contact between soft solids is an interesting topic in biomechanics and for the design of small-scale engineering devices. As a model of this mechanical set-up, two elastic nonlinear solids are considered jointed through a frictionless and bilateral surface, so that continuity of the normal component of the Cauchy traction holds across the surface, but the tangential component is null. Moreover, the displacement can develop only in a way that the bodies in contact do neither detach, nor overlap. Surprisingly, this finite strain problem has not been correctly formulated until now, so this formulation is the objective of the present paper. The incremental equations are shown to be non-trivial and different from previously (and erroneously) employed conditions. In particular, an exclusion condition for bifurcation is derived to show that previous formulations based on frictionless contact or `spring-type' interfacial conditions are not able to predict bifurcations in tension, while experiments-one of which, ad hoc designed, is reported-show that these bifurcations are a reality and become possible when the correct sliding interface model is used. The presented results introduce a methodology for the determination of bifurcations and instabilities occurring during lubricated sliding between soft bodies in contact.

Control of three-dimensional waves on thin liquid films

NASA Astrophysics Data System (ADS)

Tomlin, Ruben; Gomes, Susana; Pavliotis, Greg; Papageorgiou, Demetrios

2017-11-01

We consider a weakly nonlinear model for interfacial waves on three-dimensional thin films on inclined flat planes - the Kuramoto-Sivashinsky equation. The flow is driven by gravity, and is allowed to be overlying or hanging on the flat substrate. Blowing and suction controls are applied at the substrate surface. We explore the instability of the transverse modes for hanging arrangements, which are unbounded and grow exponentially. The structure of the equations allows us to construct optimal transverse controls analytically to prevent this transverse growth. We also may consider the influence of transverse modes on overlying film flows, these modes are damped out if uncontrolled. We also consider the more physical concept of point actuated controls which are modelled using Dirac delta functions. We first study the case of proportional control, where the actuation at a point depends on the local interface height alone. Here, we study the influence of control strength and number/location of actuators on the possible stabilization of the zero solution. We also consider the full feedback problem, which assumes that we can observe the full interface and allow communication between actuators. Using these controls we can obtain exponential stability where proportional controls fail, and stabilize non-trivial solutions.

Moving contact lines in partial wetting: bridging the gap across the scales

NASA Astrophysics Data System (ADS)

Pahlavan, Amir; Cueto-Felgueroso, Luis; McKinley, Gareth; Juanes, Ruben

2017-11-01

The spreading and dewetting of liquid films on solid substrates is a common phenomenon in nature and industry from a snail secreting a mucosal film to printing and coating processes. A quantitative description of these phenomena, however, requires a detailed understanding of the flow physics at the nanoscale as the intermolecular interactions become important close to the contact line. Classical hydrodynamic theory describes wetting as an interplay between viscous and interfacial forces, neglecting the intermolecular interactions, leading to a paradox known as the moving contact line singularity. By contrast, molecular kinetic theory describes wetting as an activated process, neglecting the bulk hydrodynamics in the spreading viscous fluid film altogether. Here, we show that our recently developed model for thin liquid films in partial wetting, which properly incorporates the role of van der Waals interactions in a thin spreading fluid layer into a height-dependent surface tension, bridges the gap between these two approaches and leads to a unified framework for the description of wetting phenomena. We further use our model to investigate the instability and dewetting of nanometric liquid films, and show that it brings theoretical predictions closer to experimental observations.

Modelling of Fiber/Matrix Debonding of Composites Under Cyclic Loading

NASA Technical Reports Server (NTRS)

Naghipour, Paria; Pineda, Evan J.; Bednarcyk, Brett A.; Arnold, Steven M.

2013-01-01

The micromechanics theory, generalized method of cells (GMC), was employed to simulate the debonding of fiber/matrix interfaces, within a repeating unit cell subjected to global, cyclic loading, utilizing a cyclic crack growth law. Cycle dependent, interfacial debonding was implemented as a new module to the available GMC formulation. The degradation of interfacial stresses, with applied load cycles, was achieved via progressive evolution of the interfacial compliance. A periodic repeating unit cell, representing the fiber/matrix architecture of a composite, was subjected to combined normal and shear loadings, and degradation of the global transverse stress in successive cycles was monitored. The obtained results were compared to values from a corresponding finite element model. Reasonable agreement was achieved for combined normal and shear loading conditions, with minimal variation for pure loading cases. The local effects of interfacial debonding, and fatigue damage will later be combined as sub-models to predict the experimentally obtained fatigue life of Ti-15-3/Sic composites at the laminate level.

Computer modelling of the surface tension of the gas-liquid and liquid-liquid interface.

PubMed

Ghoufi, Aziz; Malfreyt, Patrice; Tildesley, Dominic J

2016-03-07

This review presents the state of the art in molecular simulations of interfacial systems and of the calculation of the surface tension from the underlying intermolecular potential. We provide a short account of different methodological factors (size-effects, truncation procedures, long-range corrections and potential models) that can affect the results of the simulations. Accurate calculations are presented for the calculation of the surface tension as a function of the temperature, pressure and composition by considering the planar gas-liquid interface of a range of molecular fluids. In particular, we consider the challenging problems of reproducing the interfacial tension of salt solutions as a function of the salt molality; the simulations of spherical interfaces including the calculation of the sign and size of the Tolman length for a spherical droplet; the use of coarse-grained models in the calculation of the interfacial tension of liquid-liquid surfaces and the mesoscopic simulations of oil-water-surfactant interfacial systems.

Effects of orientation and downward-facing convex curvature on pool-boiling critical heat flux

NASA Astrophysics Data System (ADS)

Howard, Alicia Ann Harris

Photographic studies of near-saturated pool boiling on both inclined flat surfaces and a downward-facing convex surface were conducted in order to determine the physical mechanisms that trigger critical heat flux (CHF). Based on the vapor behavior observed just prior to CHF, it is shown for the flat surfaces that the surface orientations can be divided into three regions: upward-facing (0-60°), near-vertical (60-165°), and downward-facing (165-180°) each region is associated with a unique CHIP trigger mechanism. In the upward-facing region, the buoyancy forces remove the vapor vertically off the heater surface. The near- vertical region is characterized by a wavy liquid-vapor interface which sweeps along the heater surface. In the downward-facing region, the vapor repeatedly stratifies on the heater surface, greatly decreasing CHF. The vapor behavior along the convex surface is cyclic in nature and similar to the nucleation/coalescence/stratification/release procedure observed for flat surfaces in the downward-facing region. The vapor stratification occurred at the bottom (downward-facing) heaters on the convex surface. CHF is always triggered on these downward-facing heaters and then propagates up the convex surface, and the orientations of these heaters are comparable with the orientation range of the flat surface downward-facing region. The vast differences between the observed vapor behavior within the three regions and on the convex surface indicate that a single overall pool boiling CHF model cannot possibly account for all the observed effects. Upward-facing surfaces have been examined and modeled extensively by many investigators and a few investigators have addressed downward-facing surfaces, so this investigation focuses on modeling the near-vertical region. The near-vertical CHF model incorporates classical two-dimensional interfacial instability theory, a separated flow model, an energy balance, and a criterion for separation of the wavy interface from the surface at CHF. The model was tested for different fluids and shows good agreement with CHF data. Additionally, the instability theory incorporated into this model accurately predicts the angle of transition between the near-vertical and downward-facing regions.

A Deterministic Interfacial Cyclic Oxidation Spalling Model. Part 1; Model Development and Parametric Response

NASA Technical Reports Server (NTRS)

Smialek, James L.

2002-01-01

An equation has been developed to model the iterative scale growth and spalling process that occurs during cyclic oxidation of high temperature materials. Parabolic scale growth and spalling of a constant surface area fraction have been assumed. Interfacial spallation of the only the thickest segments was also postulated. This simplicity allowed for representation by a simple deterministic summation series. Inputs are the parabolic growth rate constant, the spall area fraction, oxide stoichiometry, and cycle duration. Outputs include the net weight change behavior, as well as the total amount of oxygen and metal consumed, the total amount of oxide spalled, and the mass fraction of oxide spalled. The outputs all follow typical well-behaved trends with the inputs and are in good agreement with previous interfacial models.

Voltage-dependent cluster expansion for electrified solid-liquid interfaces: Application to the electrochemical deposition of transition metals

NASA Astrophysics Data System (ADS)

Weitzner, Stephen E.; Dabo, Ismaila

2017-11-01

The detailed atomistic modeling of electrochemically deposited metal monolayers is challenging due to the complex structure of the metal-solution interface and the critical effects of surface electrification during electrode polarization. Accurate models of interfacial electrochemical equilibria are further challenged by the need to include entropic effects to obtain accurate surface chemical potentials. We present an embedded quantum-continuum model of the interfacial environment that addresses each of these challenges and study the underpotential deposition of silver on the gold (100) surface. We leverage these results to parametrize a cluster expansion of the electrified interface and show through grand canonical Monte Carlo calculations the crucial need to account for variations in the interfacial dipole when modeling electrodeposited metals under finite-temperature electrochemical conditions.

Multiple-relaxation-time color-gradient lattice Boltzmann model for simulating two-phase flows with high density ratio

NASA Astrophysics Data System (ADS)

Ba, Yan; Liu, Haihu; Li, Qing; Kang, Qinjun; Sun, Jinju

2016-08-01

In this paper we propose a color-gradient lattice Boltzmann (LB) model for simulating two-phase flows with high density ratio and high Reynolds number. The model applies a multirelaxation-time (MRT) collision operator to enhance the stability of the simulation. A source term, which is derived by the Chapman-Enskog analysis, is added into the MRT LB equation so that the Navier-Stokes equations can be exactly recovered. Also, a form of the equilibrium density distribution function is used to simplify the source term. To validate the proposed model, steady flows of a static droplet and the layered channel flow are first simulated with density ratios up to 1000. Small values of spurious velocities and interfacial tension errors are found in the static droplet test, and improved profiles of velocity are obtained by the present model in simulating channel flows. Then, two cases of unsteady flows, Rayleigh-Taylor instability and droplet splashing on a thin film, are simulated. In the former case, the density ratio of 3 and Reynolds numbers of 256 and 2048 are considered. The interface shapes and spike and bubble positions are in good agreement with the results of previous studies. In the latter case, the droplet spreading radius is found to obey the power law proposed in previous studies for the density ratio of 100 and Reynolds number up to 500.

A Real Time Investigation of Morphological Evolution During Solidification of Different Alloy Systems

NASA Technical Reports Server (NTRS)

Sen, S.; Kaukler, W. F.; Curreri, P. A.

1999-01-01

Solidification phenomenon which occur at the solid/liquid (s/I) interface play a major role in the determination of structure and hence the technologically important properties of a casting. However, metals being opaque, conclusions related to several important phenomenon such as boundary layer thickness, morphological evolution, and eutectic and cell spacing are deduced from quenching experiments and subsequent post solidification metallographic analysis. Consequently, limited information is obtained about the dynamics of the process. This paper will discuss the recent efforts at the Space Science Laboratory, NASA Marshall Space Flight Center, to view and quantify in-situ and in real time the dynamics of the solidification process and to measure interfacial undercooling. First, a high resolution x-ray transmission microscope (XTM) has been developed to monitor fundamental interfacial phenomena during directional solidification of metals and alloys. The XTM operates in the range of 10-100 KeV and through projection is capable of achieving magnification of up to 16OX. Secondly, an innovative collapsible furnace has been designed to quantify interfacial undercooling by measuring the temperature of a moving s/I interface in reference to a fixed s/l interface. This measurement technique is non-intrusive in nature and is based on the Seebeck principle. In this paper real time results obtained to characterize the dynamics of irregular eutectic spacing will be presented. As an example fiber to lamella or plate transition in the Al-Al2Au eutectic system will be discussed. Further, a resolution limit of 25 micron has permitted viewing in real time morphological instability and cellular growth in Al-Au and Al-Ag systems. Simultaneously, a systematic investigation has been carried out to measure interfacial undercooling for Pb-1 wt.% Sn at and near the marginal stability regime. In conjunction with the XTM observations this study attempts to validate existing relationships between undercooling and growth velocity during plane front growth, marginal stability regime, and stable cellular growth.

Note: extraction of temperature-dependent interfacial resistance of thermoelectric modules.

PubMed

Chen, Min

2011-11-01

This article discusses an approach for extracting the temperature dependency of the electrical interfacial resistance associated with thermoelectric devices. The method combines a traditional module-level test rig and a nonlinear numerical model of thermoelectricity to minimize measurement errors on the interfacial resistance. The extracted results represent useful data to investigating the characteristics of thermoelectric module resistance and comparing performance of various modules. © 2011 American Institute of Physics

Surface tension dominates insect flight on fluid interfaces.

PubMed

Mukundarajan, Haripriya; Bardon, Thibaut C; Kim, Dong Hyun; Prakash, Manu

2016-03-01

Flight on the 2D air-water interface, with body weight supported by surface tension, is a unique locomotion strategy well adapted for the environmental niche on the surface of water. Although previously described in aquatic insects like stoneflies, the biomechanics of interfacial flight has never been analysed. Here, we report interfacial flight as an adapted behaviour in waterlily beetles (Galerucella nymphaeae) which are also dexterous airborne fliers. We present the first quantitative biomechanical model of interfacial flight in insects, uncovering an intricate interplay of capillary, aerodynamic and neuromuscular forces. We show that waterlily beetles use their tarsal claws to attach themselves to the interface, via a fluid contact line pinned at the claw. We investigate the kinematics of interfacial flight trajectories using high-speed imaging and construct a mathematical model describing the flight dynamics. Our results show that non-linear surface tension forces make interfacial flight energetically expensive compared with airborne flight at the relatively high speeds characteristic of waterlily beetles, and cause chaotic dynamics to arise naturally in these regimes. We identify the crucial roles of capillary-gravity wave drag and oscillatory surface tension forces which dominate interfacial flight, showing that the air-water interface presents a radically modified force landscape for flapping wing flight compared with air. © 2016. Published by The Company of Biologists Ltd.

Surface tension dominates insect flight on fluid interfaces

PubMed Central

Mukundarajan, Haripriya; Bardon, Thibaut C.; Kim, Dong Hyun; Prakash, Manu

2016-01-01

ABSTRACT Flight on the 2D air–water interface, with body weight supported by surface tension, is a unique locomotion strategy well adapted for the environmental niche on the surface of water. Although previously described in aquatic insects like stoneflies, the biomechanics of interfacial flight has never been analysed. Here, we report interfacial flight as an adapted behaviour in waterlily beetles (Galerucella nymphaeae) which are also dexterous airborne fliers. We present the first quantitative biomechanical model of interfacial flight in insects, uncovering an intricate interplay of capillary, aerodynamic and neuromuscular forces. We show that waterlily beetles use their tarsal claws to attach themselves to the interface, via a fluid contact line pinned at the claw. We investigate the kinematics of interfacial flight trajectories using high-speed imaging and construct a mathematical model describing the flight dynamics. Our results show that non-linear surface tension forces make interfacial flight energetically expensive compared with airborne flight at the relatively high speeds characteristic of waterlily beetles, and cause chaotic dynamics to arise naturally in these regimes. We identify the crucial roles of capillary–gravity wave drag and oscillatory surface tension forces which dominate interfacial flight, showing that the air–water interface presents a radically modified force landscape for flapping wing flight compared with air. PMID:26936640

Thermodynamics, interfacial pressure isotherms and dilational rheology of mixed protein-surfactant adsorption layers.

PubMed

Fainerman, V B; Aksenenko, E V; Krägel, J; Miller, R

2016-07-01

Proteins and their mixtures with surfactants are widely used in many applications. The knowledge of their solution bulk behavior and its impact on the properties of interfacial layers made great progress in the recent years. Different mechanisms apply to the formation process of protein/surfactant complexes for ionic and non-ionic surfactants, which are governed mainly by electrostatic and hydrophobic interactions. The surface activity of these complexes is often remarkably different from that of the individual protein and has to be considered in respective theoretical models. At very low protein concentration, small amounts of added surfactants can change the surface activity of proteins remarkably, even though no strongly interfacial active complexes are observed. Also small added amounts of non-ionic surfactants change the surface activity of proteins in the range of small bulk concentrations or surface coverages. The modeling of the equilibrium adsorption behavior of proteins and their mixtures with surfactants has reached a rather high level. These models are suitable also to describe the high frequency limits of the dilational viscoelasticity of the interfacial layers. Depending on the nature of the protein/surfactant interactions and the changes in the interfacial layer composition rather complex dilational viscoelasticities can be observed and described by the available models. The differences in the interfacial behavior, often observed in literature for studies using different experimental methods, are at least partially explained by a depletion of proteins, surfactants and their complexes in the range of low concentrations. A correction of these depletion effects typically provides good agreement between the data obtained with different methods, such as drop and bubble profile tensiometry. Copyright © 2015 Elsevier B.V. All rights reserved.

Oscillations of Accretion Disks in Cataclysmic Variable Stars

NASA Astrophysics Data System (ADS)

Osaki, Y.

2013-12-01

The disk instability model for the outbursts of dwarf novae is reviewed, with particular attention given to the superoutburst of SU UMa stars. Two intrinsic instabilities in accretion disks of dwarf novae are known; the thermal instability and the tidal instability. The thermal-tidal instability model (abbreviated the TTI model), which combines these two instabilities, was first proposed in 1989 by Osaki (1989) to explain the superoutburst phenomenon of SU UMa stars. Recent Kepler observations of one SU UMa star, V1504 Cyg, have dramatically demonstrated that the superoutburst phenomenon of the SU UMa stars is explained by the thermal-tidal instability model.

Thermal conductance at atomically clean and disordered silicon/aluminum interfaces: A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Ih Choi, Woon; Kim, Kwiseon; Narumanchi, Sreekant

2012-09-01

Thermal resistance between layers impedes effective heat dissipation in electronics packaging applications. Thermal conductance for clean and disordered interfaces between silicon (Si) and aluminum (Al) was computed using realistic Si/Al interfaces and classical molecular dynamics with the modified embedded atom method potential. These realistic interfaces, which include atomically clean as well as disordered interfaces, were obtained using density functional theory. At 300 K, the magnitude of interfacial conductance due to phonon-phonon scattering obtained from the classical molecular dynamics simulations was approximately five times higher than the conductance obtained using analytical elastic diffuse mismatch models. Interfacial disorder reduced the thermal conductance due to increased phonon scattering with respect to the atomically clean interface. Also, the interfacial conductance, due to electron-phonon scattering at the interface, was greater than the conductance due to phonon-phonon scattering. This indicates that phonon-phonon scattering is the bottleneck for interfacial transport at the semiconductor/metal interfaces. The molecular dynamics modeling predictions for interfacial thermal conductance for a 5-nm disordered interface between Si/Al were in-line with recent experimental data in the literature.

Interfacial thermodynamics of water and six other liquid solvents.

PubMed

Pascal, Tod A; Goddard, William A

2014-06-05

We examine the thermodynamics of the liquid-vapor interface by direct calculation of the surface entropy, enthalpy, and free energy from extensive molecular dynamics simulations using the two-phase thermodynamics (2PT) method. Results for water, acetonitrile, cyclohexane, dimethyl sulfoxide, hexanol, N-methyl acetamide, and toluene are presented. We validate our approach by predicting the interfacial surface tensions (IFT--excess surface free energy per unit area) in excellent agreement with the mechanical calculations using Kirkwood-Buff theory. Additionally, we evaluate the temperature dependence of the IFT of water as described by the TIP4P/2005, SPC/Ew, TIP3P, and mW classical water models. We find that the TIP4P/2005 and SPC/Ew water models do a reasonable job of describing the interfacial thermodynamics; however, the TIP3P and mW are quite poor. We find that the underprediction of the experimental IFT at 298 K by these water models results from understructured surface molecules whose binding energies are too weak. Finally, we performed depth profiles of the interfacial thermodynamics which revealed long tails that extend far into what would be considered bulk from standard Gibbs theory. In fact, we find a nonmonotonic interfacial free energy profile for water, a unique feature that could have important consequences for the absorption of ions and other small molecules.

Fatigue Crack Growth and Crack Bridging in SCS-6/Ti-24-11

NASA Technical Reports Server (NTRS)

Ghosn, Louis J.; Kantzos, Pete; Telesman, Jack

1995-01-01

Interfacial damage induced by relative fiber/matrix sliding was found to occur in the bridged zone of unidirectional SCS-6/Ti-24Al-11Nb intermetallic matrix composite specimens subjected to fatigue crack growth conditions. The degree of interfacial damage was not uniform along the bridged crack wake. Higher damage zones were observed near the machined notch in comparison to the crack tip. The interfacial friction shear strength tau(sub f) measured in the crack wake using pushout testing revealed lower values than the as-received interface. Interfacial wear also reduced the strength of the bridging fibers. The reduction in fiber strength is thought to be a function of the magnitude of relative fiber/matrix displacements ind the degree of interfacial damage. Furthermore, two different fiber bridging models were used to predict the influence of bridging on the fatigue crack driving force. The shear lag model required a variable tau(sub f) in the crack wake (reflecting the degradation of the interface) before its predictions agreed with trends exhibited by the experimental data. The fiber pressure model did an excellent job in predicting both the FCG data and the DeltaCOD in the bridged zone even though it does not require a knowledge of tau(sub f).

Effect of Interfacial Bonding on Interphase Properties in SiO2/Epoxy Nanocomposite: A Molecular Dynamics Simulation Study.

PubMed

Wang, Zhikun; Lv, Qiang; Chen, Shenghui; Li, Chunling; Sun, Shuangqing; Hu, Songqing

2016-03-23

Atomistic molecular dynamics simulations have been performed to explore the effect of interfacial bonding on the interphase properties of a nanocomposite system that consists of a silica nanoparticle and the highly cross-linked epoxy matrix. For the structural properties, results show that interfacial covalent bonding can broaden the interphase region by increasing the radial effect range of fluctuated mass density and oriented chains, as well as strengthen the interphase region by improving the thermal stability of interfacial van der Waals excluded volume and reducing the proportion of cis conformers of epoxy segments. The improved thermal stability of the interphase region in the covalently bonded model results in an increase of ∼21 K in the glass transition temperature (Tg) compared to that of the pure epoxy. It is also found that interfacial covalent bonding mainly restricts the volume thermal expansion of the model at temperatures near or larger than Tg. Furthermore, investigations from mean-square displacement and fraction of immobile atoms point out that interfacial covalent and noncovalent bonding induces lower and higher mobility of interphase atoms than that of the pure epoxy, respectively. The obtained critical interfacial bonding ratio when the interphase and matrix atoms have the same mobility is 5.8%. These results demonstrate that the glass transitions of the interphase and matrix will be asynchronous when the interfacial bonding ratio is not 5.8%. Specifically, the interphase region will trigger the glass transition of the matrix when the ratio is larger than 5.8%, whereas it restrains the glass transition of the matrix when the ratio is smaller than 5.8%.

Anomalous interfacial tension temperature dependence of condensed phase drops in magnetic fluids

NASA Astrophysics Data System (ADS)

Ivanov, Aleksey S.

2018-05-01

Interfacial tension temperature dependence σ(T) of the condensed phase (drop-like aggregates) in magnetic fluids undergoing field induced phase transition of the "gas-liquid" type was studied experimentally. Numerical analysis of the experimental data has revealed the anomalous (if compared to ordinary one-component fluids) behavior of the σ(T) function for all tested magnetic colloid samples: the condensed phase drops at high T ≈ 75 C exhibit higher σ(T) than the drops condensed at low T ≈ 20 C. The σ(T) behavior is explained by the polydispersity of magnetic colloids: at high T, only the largest colloidal particles are able to take part in the field induced condensation; thus, the increase of T causes the growth of the average particle diameters inside the drop-like aggregates, what in its turn results in the growth of σ(T). The result is confirmed by qualitative theoretical estimations and qualitative experimental observation of the condensed phase "evaporation" process after the applied magnetic field is removed: the drops that are formed due to capillary instability of the drop-like aggregates retract by one order of magnitude faster at high T, and the evaporation of the drops slows down at high T.

Competitive displacement of sodium caseinate by low-molecular-weight emulsifiers and the effects on emulsion texture and rheology.

PubMed

Munk, M B; Larsen, F H; van den Berg, F W J; Knudsen, J C; Andersen, M L

2014-07-29

Low-molecular-weight (LMW) emulsifiers are used to promote controlled destabilization in many dairy-type emulsions in order to obtain stable foams in whippable products. The relation between fat globule aggregation induced by three LMW emulsifiers, lactic acid ester of monoglyceride (LACTEM), saturated monoglyceride (GMS), and unsaturated monoglyceride (GMU) and their effect on interfacial protein displacement was investigated. It was found that protein displacement by LMW emulsifiers was not necessary for fat globule aggregation in emulsions, and conversely fat globule aggregation was not necessarily accompanied by protein displacement. The three LMW emulsifiers had very different effects on emulsions. LACTEM induced shear instability of emulsions, which was accompanied by protein displacement. High stability was characteristic for emulsions with GMS where protein was displaced from the interface. Emulsions containing GMU were semisolid, but only low concentrations of protein were detected in the separated serum phase. The effects of LACTEM, GMS, and GMU may be explained by three different mechanisms involving formation of interfacial α-gel, pickering stabilization and increased exposure of bound casein to the water phase. The latter may facilitate partial coalescence. Stabilizing hydrocolloids did not have any effect on the LMW emulsifiers' ability to induce protein displacement.

Probing nonlinear rheology layer-by-layer in interfacial hydration water.

PubMed

Kim, Bongsu; Kwon, Soyoung; Lee, Manhee; Kim, Q Hwan; An, Sangmin; Jhe, Wonho

2015-12-22

Viscoelastic fluids exhibit rheological nonlinearity at a high shear rate. Although typical nonlinear effects, shear thinning and shear thickening, have been usually understood by variation of intrinsic quantities such as viscosity, one still requires a better understanding of the microscopic origins, currently under debate, especially on the shear-thickening mechanism. We present accurate measurements of shear stress in the bound hydration water layer using noncontact dynamic force microscopy. We find shear thickening occurs above ∼ 10(6) s(-1) shear rate beyond 0.3-nm layer thickness, which is attributed to the nonviscous, elasticity-associated fluidic instability via fluctuation correlation. Such a nonlinear fluidic transition is observed due to the long relaxation time (∼ 10(-6) s) of water available in the nanoconfined hydration layer, which indicates the onset of elastic turbulence at nanoscale, elucidating the interplay between relaxation and shear motion, which also indicates the onset of elastic turbulence at nanoscale above a universal shear velocity of ∼ 1 mm/s. This extensive layer-by-layer control paves the way for fundamental studies of nonlinear nanorheology and nanoscale hydrodynamics, as well as provides novel insights on viscoelastic dynamics of interfacial water.

Convective and interfacial instabilities during solidification of succinonitrile containing ethanol

NASA Technical Reports Server (NTRS)

Schaefer, R. J.; Coriell, S. R.

1982-01-01

Even though slow convective flow is difficult to detect in solidifying metals, it can readily be observed in transparent materials by observing the motion of small neutrally buoyant particles. Succinonitrile, which solidifies with an unfaceted solid/liquid interface and has well characterized physical properties, is considered an excellent material for such studies. For studies of solute-induced convection, ethanol is a useful addition to succinonitrile since it has a lower density and a somewhat similar molecular structure. Samples of high purity and ethanol-doped succinonitrile are unidirectionally solidified in a vertical temperature gradient. Latex mimcrospheres 2 microns in diameter are suspended in the liquid to reveal the convective flow. Convective and morphological stability is observed as a function of solute concentration and growth velocity. These measurements are compared with theoretical calculations that predict the transition from stability to instability as a function of solidification conditions. The predicted transitions occur at low concentrations and solidification velocities; for this reason, extreme care must be taken in order to eliminate the effects of impurities or thermally induced convection.

Experimental investigation of the breakup of a round liquid jet in a shock-induced crossflow

NASA Astrophysics Data System (ADS)

Olles, Joseph; Guildenbecher, Daniel; Wagner, Justin; Demauro, Edward; Farias, Paul; Grasser, Thomas; Sojka, Paul

2015-11-01

The breakup of a round water jet due to a step change in the convective air velocity following a 1D air-shock was experimentally investigated. Variations of this experiment have been conducted in the past, however here quantitative results on the breakup sizes and trajectories are shown. A shock tube was utilized to create the jet breakup, and the primary shape of the liquid and secondary droplet sizes were recorded optically. Through the use of digital in-line holography (DIH), the sizes, 3D position, and 3C velocities of secondary droplets were measured at kHz rates. Care was taken to ensure that the jet was kept round throughout the shock tube test section (absent of Plateau-Rayleigh instability). While the liquid jet geometry and velocity was kept constant, various gas-phase velocities allowed for the investigation of multiple breakup morphologies, as a function of the crossflow Weber number. The typical breakup regimes are seen; bag, multimode, and sheet-thinning. With high temporal and spatial resolution, interfacial and liquid column instabilities are seen in the jet breakup.

Solid/liquid interfacial free energies in binary systems

NASA Technical Reports Server (NTRS)

Nason, D.; Tiller, W. A.

1973-01-01

Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

Discretization limits of multi-component lattice-Boltzmann methods and implications on the real porous media simulations

NASA Astrophysics Data System (ADS)

Herring, A. L.; Li, Z.; Middleton, J.; Varslot, T.; McClure, J. E.; Sheppard, A.

2017-12-01

Multicomponent lattice-Boltzmann (LB) modeling is widely applied to study two-phase flow in various porous media. However, the impact on LB modeling of the fundamental trade-off between image resolution and field of view has received relatively little attention. This is important since 3D images of geological samples rarely have both sufficient resolution to capture fine structure and sufficient field of view to capture a full representative elementary volume of the medium. To optimize the simulations, it is important to know the minimum number of grid points that LB methods require to deliver physically meaningful results, and allow for the sources of measurement uncertainty to be appropriately balanced. In this work, we study the behavior of the Shan-Chen (SC) and Rothman-Keller (RK) models when the phase interfacial radius of curvature and the feature size of the medium approach the discrete unit size of the computational grid. Both simple, small-scale test geometries and real porous media are considered. Models' behavior in the extreme discrete limit is classified ranging from gradual loss of accuracy to catastrophic numerical breakdown. Based on this study, we provide guidance for experimental data collection and how to apply the LBM to accurately resolve physics of interest for two-fluid flow in porous media. Resolution effects are particularly relevant to the study of low-porosity systems, including fractured materials, when the typical pore width may only be a few voxels across.Overall, we find that the shortcoming of the SC model predominantly arises from the strongly pressure-dependent miscibility of the fluid components, where small droplets with high interfacial curvature have an exaggerated tendency to dissolve into the surrounding fluid. For the RK model, the most significant shortcoming is unphysical flow of non-wetting phase through narrow channels and crevices (2 voxels across or smaller), which we observed both in simple capillary tube and realistic porous medium. This process generates unphysical non-wetting phase ganglia that are hard to distinguish from ganglia of physical origin (e.g. arising from snap-off). While both methods have advantages and shortcomings, the RK model with modern enhancements seems to exhibit fewer instabilities, and is more suitable for system of low miscibility.

General theories and features of interfacial thermal transport

NASA Astrophysics Data System (ADS)

Zhou, Hangbo; Zhang, Gang

2018-03-01

A clear understanding and proper control of interfacial thermal transport is important in nanoscale device. In this review, we first discuss the theoretical methods to handle the interfacial thermal transport problem, such as the macroscopic model, molecular dynamics, lattice dynamics and modern quantum transport theories. Then we discuss various effects that can significantly affect the interfacial thermal transport, such as the formation of chemical bonds at interface, defects and interface roughness, strain and substrates, atomic species and mass ratios, structural orientations. Then importantly, we analyze the role of inelastic scatterings at the interface, and discuss its application in thermal rectifications. Finally, the challenges and promising directions are discussed.

Atomistic modeling for interfacial properties of Ni-Al-V ternary system

NASA Astrophysics Data System (ADS)

Dong, Wei-ping; Lee, Byeong-Joo; Chen, Zheng

2014-05-01

Interatomic potentials for Ni-Al-V ternary systems have been developed based on the second-nearest-neighbor modified embedded-atom method potential formalism. The potentials can describe various fundamental physical properties of the relevant materials in good agreement with experimental information. The potential is utilized for an atomistic computation of interfacial properties of Ni-Al-V alloys. It is found that vanadium atoms segregate on the γ-fcc/L12 interface and this segregation affects the interfacial properties. The applicability of the atomistic approach to an elaborate alloy design of advanced Ni-based superalloys through the investigation of the effect of alloying elements on interfacial properties is discussed.

Interfacial rheology of model particles at liquid interfaces and its relation to (bicontinuous) Pickering emulsions

NASA Astrophysics Data System (ADS)

Thijssen, J. H. J.; Vermant, J.

2018-01-01

Interface-dominated materials are commonly encountered in both science and technology, and typical examples include foams and emulsions. Conventionally stabilised by surfactants, emulsions can also be stabilised by micron-sized particles. These so-called Pickering-Ramsden (PR) emulsions have received substantial interest, as they are model arrested systems, rather ubiquitous in industry and promising templates for advanced materials. The mechanical properties of the particle-laden liquid-liquid interface, probed via interfacial rheology, have been shown to play an important role in the formation and stability of PR emulsions. However, the morphological processes which control the formation of emulsions and foams in mixing devices, such as deformation, break-up, and coalescence, are complex and diverse, making it difficult to identify the precise role of the interfacial rheological properties. Interestingly, the role of interfacial rheology in the stability of bicontinuous PR emulsions (bijels) has been virtually unexplored, even though the phase separation process which leads to the formation of these systems is relatively simple and the interfacial deformation processes can be better conceptualised. Hence, the aims of this topical review are twofold. First, we review the existing literature on the interfacial rheology of particle-laden liquid interfaces in rheometrical flows, focussing mainly on model latex suspensions consisting of polystyrene particles carrying sulfate groups, which have been most extensively studied to date. The goal of this part of the review is to identify the generic features of the rheology of such systems. Secondly, we will discuss the relevance of these results to the formation and stability of PR emulsions and bijels.

Focus: Structure and dynamics of the interfacial layer in polymer nanocomposites with attractive interactions

DOE PAGES

Cheng, Shiwang; Carroll, Bobby; Bocharova, Vera; ...

2017-03-30

In recent years it has become clear that the interfacial layer formed around nanoparticles in polymer nanocomposites (PNCs) is critical for controlling their macroscopic properties. The interfacial layer occupies a significant volume fraction of the polymer matrix in PNCs and creates strong intrinsic heterogeneity in their structure and dynamics. In this paper, we focus on analysis of the structure and dynamics of the interfacial region in model PNCs with well-dispersed, spherical nanoparticles with attractive interactions. First, we discuss several experimental techniques that provide structural and dynamic information on the interfacial region in PNCs. Then, we discuss the role of variousmore » microscopic parameters in controlling structure and dynamics of the interfacial layer. The analysis presented emphasizes the importance of the polymer-nanoparticle interactions for the slowing down dynamics in the interfacial region, while the thickness of the interfacial layer appears to be dependent on chain rigidity, and has been shown to increase with cooling upon approaching the glass transition. Aside from chain rigidity and polymer-nanoparticle interactions, the interfacial layer properties are also affected by the molecular weight of the polymer and the size of the nanoparticles. Finally, in the last part of this focus article, we emphasize the important challenges in the field of polymer nanocomposites and a potential analogy with the behavior observed in thin films.« less

Mathematical modeling of liquid/liquid hollow fiber membrane contactor accounting for interfacial transport phenomena: Extraction of lanthanides as a surrogate for actinides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rogers, J.D.

1994-08-04

This report is divided into two parts. The second part is divided into the following sections: experimental protocol; modeling the hollow fiber extractor using film theory; Graetz model of the hollow fiber membrane process; fundamental diffusive-kinetic model; and diffusive liquid membrane device-a rigorous model. The first part is divided into: membrane and membrane process-a concept; metal extraction; kinetics of metal extraction; modeling the membrane contactor; and interfacial phenomenon-boundary conditions-applied to membrane transport.

Sum Frequency Generation Vibrational Spectroscopy Studies on ModelPeptide Adsorption at the Hydrophobic Solid-Water and HydrophilicSolid-Water Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

York, Roger L.

2007-01-01

Sum frequency generation (SFG) vibrational spectroscopy has been used to study the interfacial structure of several polypeptides and amino acids adsorbed to hydrophobic and hydrophilic surfaces under a variety of experimental conditions. Peptide sequence, peptide chain length, peptide hydrophobicity, peptide side-chain type, surface hydrophobicity, and solution ionic strength all affect an adsorbed peptide's interfacial structure. Herein, it is demonstrated that with the choice of simple, model peptides and amino acids, surface specific SFG vibrational spectroscopy can be a powerful tool to elucidate the interfacial structure of these adsorbates. Herein, four experiments are described. In one, a series of isosequential amphiphilicmore » peptides are synthesized and studied when adsorbed to both hydrophobic and hydrophilic surfaces. On hydrophobic surfaces of deuterated polystyrene, it was determined that the hydrophobic part of the peptide is ordered at the solid-liquid interface, while the hydrophilic part of the peptide appears to have a random orientation at this interface. On a hydrophilic surface of silica, it was determined that an ordered peptide was only observed if a peptide had stable secondary structure in solution. In another experiment, the interfacial structure of a model amphiphilic peptide was studied as a function of the ionic strength of the solution, a parameter that could change the peptide's secondary structure in solution. It was determined that on a hydrophobic surface, the peptide's interfacial structure was independent of its structure in solution. This was in contrast to the adsorbed structure on a hydrophilic surface, where the peptide's interfacial structure showed a strong dependence on its solution secondary structure. In a third experiment, the SFG spectra of lysine and proline amino acids on both hydrophobic and hydrophilic surfaces were obtained by using a different experimental geometry that increases the SFG signal. Upon comparison of these spectra to the SFG spectra of interfacial polylysine and polyproline it was determined that the interfacial structure of a peptide is strongly dependent on its chain length. Lastly, SFG spectroscopy has been extended to the Amide I vibrational mode of a peptide (which is sensitive to peptide secondary structure) by building a new optical parametric amplifier based on lithium thioindate. Evidence is presented that suggests that the interfacial secondary structure of a peptide can be perturbed by a surface.« less

Jumping liquid metal droplet in electrolyte triggered by solid metal particles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tang, Jianbo; University of Chinese Academy of Sciences, Beijing 100049; Wang, Junjie

2016-05-30

We report the electron discharge effect due to point contact between liquid metal and solid metal particles in electrolyte. Adding nickel particles induces drastic hydrogen generating and intermittent jumping of a sub-millimeter EGaIn droplet in NaOH solution. Observations from different orientations disclose that such jumping behavior is triggered by pressurized bubbles under the assistance of interfacial interactions. Hydrogen evolution around particles provides clear evidence that such electric instability originates from the varied electric potential and morphology between the two metallic materials. The point-contact-induced charge concentration significantly enhances the near-surface electric field intensity at the particle tips and thus causes electricmore » breakdown of the electrolyte.« less

Modeling of Interfacial Modification Effects on Thermal Conductivity of Carbon Nanotube Composites

NASA Technical Reports Server (NTRS)

Clancy, Thomas C.; Gates, Thomas S.

2006-01-01

The effect of functionalization of carbon nanotubes on the thermal conductivity of nanocomposites has been studied using a multi-scale modeling approach. These results predict that grafting linear hydrocarbon chains to the surface of a single wall carbon nanotube with covalent chemical bonds should result in a significant increase in the thermal conductivity of these nanocomposites. This is due to the decrease in the interfacial thermal (Kapitza) resistance between the single wall carbon nanotube and the surrounding polymer matrix upon chemical functionalization. The nanocomposites studied here consist of single wall carbon nanotubes in a bulk poly(ethylene vinyl acetate) matrix. The nanotubes are functionalized by end-grafting linear hydrocarbon chains of varying length to the surface of the nanotube. The effect which this functionalization has on the interfacial thermal resistance is studied by molecular dynamics simulation. Interfacial thermal resistance values are calculated for a range of chemical grafting densities and with several chain lengths. These results are subsequently used in an analytical model to predict the resulting effect on the bulk thermal conductivity of the nanocomposite.

Diffuse-Interface Methods in Fluid Mechanics

NASA Technical Reports Server (NTRS)

Anderson, D. M.; McFadden, G. B.; Wheeler, A. A.

1997-01-01

The authors review the development of diffuse-interface models of hydrodynamics and their application to a wide variety of interfacial phenomena. The authors discuss the issues involved in formulating diffuse-interface models for single-component and binary fluids. Recent applications and computations using these models are discussed in each case. Further, the authors address issues including sharp-interface analyses that relate these models to the classical free-boundary problem, related computational approaches to describe interfacial phenomena, and related approaches describing fully-miscible fluids.

Thermodiffusion as a means to manipulate liquid film dynamics on chemically patterned surfaces

PubMed Central

Kalpathy, Sreeram K.; Shreyes, Amrita Ravi

2017-01-01

The model problem examined here is the stability of a thin liquid film consisting of two miscible components, resting on a chemically patterned solid substrate and heated from below. In addition to surface tension gradients, the temperature variations also induce gradients in the concentration of the film by virtue of thermodiffusion/Soret effects. We study the stability and dewetting behaviour due to the coupled interplay between thermal gradients, Soret effects, long-range van der Waals forces, and wettability gradient-driven flows. Linear stability analysis is first employed to predict growth rates and the critical Marangoni number for chemically homogeneous surfaces. Then, nonlinear simulations are performed to unravel the interfacial dynamics and possible locations of the film rupture on chemically patterned substrates. Results suggest that appropriate tuning of the Soret parameter and its direction, in conjunction with either heating or cooling, can help manipulate the location and time scales of the film rupture. The Soret effect can either potentially aid or oppose film instability depending on whether the thermal and solutal contributions to flow are cooperative or opposed to each other. PMID:28595391

Influence of string-like cooperative atomic motion on surface diffusion in the (110) interfacial region of crystalline Ni

PubMed Central

Zhang, Hao; Yang, Ying; Douglas, Jack F.

2015-01-01

Although we often think about crystalline materials in terms of highly organized arrays of atoms, molecules, or even colloidal particles, many of the important properties of this diverse class of materials relating to their catalytic behavior, thermodynamic stability, and mechanical properties derive from the dynamics and thermodynamics of their interfacial regions, which we find they have a dynamics more like glass-forming (GF) liquids than crystals at elevated temperatures. This is a general problem arising in any attempt to model the properties of naturally occurring crystalline materials since many aspects of the dynamics of glass-forming liquids remain mysterious. We examine the nature of this phenomenon in the “simple” case of the (110) interface of crystalline Ni, based on a standard embedded-atom model potential, and we then quantify the collective dynamics in this interfacial region using newly developed methods for characterizing the cooperative dynamics of glass-forming liquids. As in our former studies of the interfacial dynamics of grain-boundaries and the interfacial dynamics of crystalline Ni nanoparticles (NPs), we find that the interface of bulk crystalline Ni exhibits all the characteristics of glass-forming materials, even at temperatures well below the equilibrium crystal melting temperature, Tm. This perspective offers a new approach to modeling and engineering the properties of crystalline materials. PMID:25725748

Phase-field model for isothermal phase transitions in binary alloys

NASA Technical Reports Server (NTRS)

Wheeler, A. A.; Boettinger, W. J.; Mcfadden, G. B.

1992-01-01

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.

Freezing point and solid-liquid interfacial free energy of Stockmayer dipolar fluids: a molecular dynamics simulation study.

PubMed

Wang, Jun; Apte, Pankaj A; Morris, James R; Zeng, Xiao Cheng

2013-09-21

Stockmayer fluids are a prototype model system for dipolar fluids. We have computed the freezing temperatures of Stockmayer fluids at zero pressure using three different molecular-dynamics simulation methods, namely, the superheating-undercooling method, the constant-pressure and constant-temperature two-phase coexistence method, and the constant-pressure and constant-enthalpy two-phase coexistence method. The best estimate of the freezing temperature (in reduced unit) for the Stockmayer (SM) fluid with the dimensionless dipole moment μ*=1, √2, √3 is 0.656 ± 0.001, 0.726 ± 0.002, and 0.835 ± 0.005, respectively. The freezing temperature increases with the dipolar strength. Moreover, for the first time, the solid-liquid interfacial free energies γ of the fcc (111), (110), and (100) interfaces are computed using two independent methods, namely, the cleaving-wall method and the interfacial fluctuation method. Both methods predict that the interfacial free energy increases with the dipole moment. Although the interfacial fluctuation method suggests a weaker interfacial anisotropy, particularly for strongly dipolar SM fluids, both methods predicted the same trend of interfacial anisotropy, i.e., γ100 > γ110 > γ111.

The effects of wettability and trapping on relationships between interfacial area, capillary pressure and saturation in porous media: A pore-scale network modeling approach

NASA Astrophysics Data System (ADS)

Raeesi, Behrooz; Piri, Mohammad

2009-10-01

SummaryWe use a three-dimensional mixed-wet random pore-scale network model to investigate the impact of wettability and trapping on the relationship between interfacial area, capillary pressure and saturation in two-phase drainage and imbibition processes. The model is a three-dimensional network of interconnected pores and throats of various geometrical shapes. It allows multiple phases to be present in each capillary element in wetting and spreading layers, as well as occupying the center of the pore space. Two different random networks that represent the pore space in Berea and a Saudi Arabia reservoir sandstone are used in this study. We allow the wettability of the rock surfaces contacted by oil to alter after primary drainage. The model takes into account both contact angle and trapping hystereses. We model primary oil drainage and water flooding for mixed-wet conditions, and secondary oil injection for a water-wet system. The total interfacial area for pores and throats are calculated when the system is at capillary equilibrium. They include contributions from the arc menisci (AMs) between the bulk and corner fluids, and from the main terminal menisci (MTMs) between different bulk fluids. We investigate hysteresis in these relationships by performing water injection into systems of varying wettability and initial water saturation. We show that trapping and contact angle hystereses significantly affect the interfacial area. In a strongly water-wet system, a sharp increase is observed at the beginning of water flood, which shifts the area to a higher level than primary drainage. As we change the wettability of the system from strongly water-wet to strongly oil-wet, the trapped oil saturation decreases significantly. Starting water flood from intermediate water saturations, greater than the irreducible water saturation, can also affect the non-wetting phase entrapment, resulting in different interfacial area behaviors. This can increase the interfacial area significantly in oil-wet systems. A qualitative comparison of our results with the experimental data available in literature for glass beads shows, with some expected differences, an encouraging agreement. Also, our results agree well with those generated by the previously developed models.

Thermodynamically Constrained Averaging Theory (TCAT) Two-Phase Flow Model: Derivation, Closure, and Simulation Results

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Miller, C. T.; Dye, A. L.; Gray, W. G.; McClure, J. E.; Rybak, I.

2015-12-01

The thermodynamically constrained averaging theory (TCAT) has been usedto formulate general classes of porous medium models, including newmodels for two-fluid-phase flow. The TCAT approach provides advantagesthat include a firm connection between the microscale, or pore scale,and the macroscale; a thermodynamically consistent basis; explicitinclusion of factors such as interfacial areas, contact angles,interfacial tension, and curvatures; and dynamics of interface movementand relaxation to an equilibrium state. In order to render the TCATmodel solvable, certain closure relations are needed to relate fluidpressure, interfacial areas, curvatures, and relaxation rates. In thiswork, we formulate and solve a TCAT-based two-fluid-phase flow model. We detail the formulation of the model, which is a specific instancefrom a hierarchy of two-fluid-phase flow models that emerge from thetheory. We show the closure problem that must be solved. Using recentresults from high-resolution microscale simulations, we advance a set ofclosure relations that produce a closed model. Lastly, we solve the model using a locally conservative numerical scheme and compare the TCAT model to the traditional model.

Insights on synergy of materials and structures in biomimetic platelet-matrix composites

NASA Astrophysics Data System (ADS)

Sakhavand, Navid; Shahsavari, Rouzbeh

2018-01-01

Hybrid materials such as biomimetic platelet-matrix composites are in high demand to confer low weight and multifunctional mechanical properties. This letter reports interfacial-bond regulated assembly of polymers on cement-an archetype model with significant infrastructure applications. We demonstrate a series of 20+ molecular dynamics studies on decoding and optimizing the complex interfacial interactions including the role and types of various heterogeneous, competing interfacial bonds that are key to adhesion and interfacial strength. Our results show an existence of an optimum overlap length scale (˜15 nm) between polymers and cement crystals, exhibiting the best balance of strength, toughness, stiffness, and ductility for the composite. This finding, combined with the fundamental insights into the nature of interfacial bonds, provides key hypotheses for selection and processing of constituents to deliberate the best synergy in the structure and materials of platelet-matrix composites.

Water's Interfacial Hydrogen Bonding Structure Reveals the Effective Strength of Surface-Water Interactions.

PubMed

Shin, Sucheol; Willard, Adam P

2018-06-05

We combine all-atom molecular dynamics simulations with a mean field model of interfacial hydrogen bonding to analyze the effect of surface-water interactions on the structural and energetic properties of the liquid water interface. We show that the molecular structure of water at a weakly interacting ( i.e., hydrophobic) surface is resistant to change unless the strength of surface-water interactions are above a certain threshold. We find that below this threshold water's interfacial structure is homogeneous and insensitive to the details of the disordered surface, however, above this threshold water's interfacial structure is heterogeneous. Despite this heterogeneity, we demonstrate that the equilibrium distribution of molecular orientations can be used to quantify the energetic component of the surface-water interactions that contribute specifically to modifying the interfacial hydrogen bonding network. We identify this specific energetic component as a new measure of hydrophilicity, which we refer to as the intrinsic hydropathy.

Inhomogeneity of block copolymers at the interface of an immiscible polymer blend

NASA Astrophysics Data System (ADS)

Ryu, Ji Ho; Kim, YongJoo; Lee, Won Bo

2018-04-01

We present the effects of structure and stiffness of block copolymers on the interfacial properties of an immiscible homopolymer blend. Diblock and two-arm grafted copolymers with variation in stiffness are modeled using coarse-grained molecular dynamics to compare the compatibilization efficiency, i.e., reduction of interfacial tension. Overall, grafted copolymers are located more compactly at the interface and show better compatibilization efficiency than diblock copolymers. In addition, an increase in the stiffness for one of the blocks of the diblock copolymers causes unusual inhomogeneous interfacial coverage due to bundle formation. However, an increase in the stiffness for one of blocks of the grafted copolymers prevents the bundle formation due to the branched chain. As a result, homogeneous interfacial coverage of homopolymer blends is realized with significant reduction of interfacial tension which makes grafted copolymer a better candidate for the compatibilizer of immiscible homopolymer blend.

Recent numerical and algorithmic advances within the volume tracking framework for modeling interfacial flows

DOE PAGES

François, Marianne M.

2015-05-28

A review of recent advances made in numerical methods and algorithms within the volume tracking framework is presented. The volume tracking method, also known as the volume-of-fluid method has become an established numerical approach to model and simulate interfacial flows. Its advantage is its strict mass conservation. However, because the interface is not explicitly tracked but captured via the material volume fraction on a fixed mesh, accurate estimation of the interface position, its geometric properties and modeling of interfacial physics in the volume tracking framework remain difficult. Several improvements have been made over the last decade to address these challenges.more » In this study, the multimaterial interface reconstruction method via power diagram, curvature estimation via heights and mean values and the balanced-force algorithm for surface tension are highlighted.« less

Nanoscale Insight and Control of Structural and Electronic Properties of Organic Semiconductor / Metal Interfaces

NASA Astrophysics Data System (ADS)

Maughan, Bret

Organic semiconductor interfaces are promising materials for use in next-generation electronic and optoelectronic devices. Current models for metal-organic interfacial electronic structure and dynamics are inadequate for strongly hybridized systems. This work aims to address this issue by identifying the factors most important for understanding chemisorbed interfaces with an eye towards tuning the interfacial properties. Here, I present the results of my research on chemisorbed interfaces formed between thin-films of phthalocyanine molecules grown on monocrystalline Cu(110). Using atomically-resolved nanoscale imaging in combination with surface-sensitive photoemission techniques, I show that single-molecule level interactions control the structural and electronic properties of the interface. I then demonstrate that surface modifications aimed at controlling interfacial interactions are an effective way to tailor the physical and electronic structure of the interface. This dissertation details a systematic investigation of the effect of molecular and surface functionalization on interfacial interactions. To understand the role of molecular structure, two types of phthalocyanine (Pc) molecules are studied: non-planar, dipolar molecules (TiOPc), and planar, non-polar molecules (H2Pc and CuPc). Multiple adsorption configurations for TiOPc lead to configuration-dependent self-assembly, Kondo screening, and electronic energy-level alignment. To understand the role of surface structure, the Cu(110) surface is textured and passivated by oxygen chemisorption prior to molecular deposition, which gives control over thin-film growth and interfacial electronic structure in H2Pc and CuPc films. Overall, the work presented here demonstrates a method for understanding interfacial electronic structure of strongly hybridized interfaces, an important first step towards developing more robust models for metal-organic interfaces, and reliable, predictive tuning of interfacial properties.

Modeling of second-harmonic generation of circumferential guided wave propagation in a composite circular tube

NASA Astrophysics Data System (ADS)

Li, Mingliang; Deng, Mingxi; Gao, Guangjian; Xiang, Yanxun

2018-05-01

This paper investigated modeling of second-harmonic generation (SHG) of circumferential guided wave (CGW) propagation in a composite circular tube, and then analyzed the influences of interfacial properties on the SHG effect of primary CGW. Here the effect of SHG of primary CGW propagation is treated as a second-order perturbation to its linear wave response. Due to the convective nonlinearity and the inherent elastic nonlinearity of material, there are second-order bulk driving forces and surface/interface driving stresses in the interior and at the surface/interface of a composite circular tube, when a primary CGW mode propagates along its circumference. Based on the approach of modal expansion analysis for waveguide excitation, the said second-order driving forces/stresses are regarded as the excitation sources to generate a series of double-frequency CGW modes that constitute the second-harmonic field of the primary CGW propagation. It is found that the modal expansion coefficient of each double-frequency CGW mode is closely related to the interfacial stiffness constants that are used to describe the interfacial properties between the inner and outer circular parts of the composite tube. Furthermore, changes in the interfacial stiffness constants essentially influence the dispersion relation of CGW propagation. This will remarkably affect the efficiency of cumulative SHG of primary CGW propagation. Some finite element simulations have been implemented of response characteristics of cumulative SHG to the interfacial properties. Both the theoretical analyses and numerical simulations indicate that the effect of cumulative SHG is found to be much more sensitive to changes in the interfacial properties than primary CGW propagation. The potential of using the effect of cumulative SHG by primary CGW propagation to characterize a minor change in the interfacial properties is considered.

Statistical analysis of interfacial gap in a cementless stem FE model.

PubMed

Park, Youngbae; Choi, Donok; Hwang, Deuk Soo; Yoon, Yong-San

2009-02-01

In cementless total hip arthroplasty, a fair amount of interfacial gap exists between the femoral stem and the bone. However, the effect of these gaps on the mechanical stability of the stem is poorly understood. In this paper, a finite element model with various interfacial gap definitions is used to quantify the effect of interfacial gaps on the primary stability of a Versys Fiber Metal Taper stem under stair climbing loads. In the first part, 500 random interfacial gap definitions were simulated. The resulting micromotion was approximately inversely proportional to the contact ratio, and the variance of the micromotion was greater with a lower contact ratio. Moreover, when the magnitude of the micromotion was compared between the gap definitions that had contact at a specific site and those that had no contact at that site, it was found that gaps located in the proximal-medial region of the stem surface had the most important effect on the micromotion. In a second trial, 17 gap definitions mimicking a gap pattern that has been observed experimentally were simulated. For a given contact ratio, the micromotion observed in the second trial was lower than the average result of those in the first, where the gaps were placed randomly. In either trial, when the contact ratio was higher than 40%, the micromotion showed no significant difference (first trial) or a gentle slope (-0.24 mum% in the second trial) in relation to the contact ratio. Considering the reported contact ratios for properly implanted stems, variations in the amount of interfacial gap would not likely cause a drastic difference in micromotion, and this effect could be easily overshadowed by other clinical factors. In conclusion, differences in interfacial gaps are not expected to have a noticeable effect on the clinical micromotion of this cementless stem.

Analytical and numerical techniques for predicting the interfacial stresses of wavy carbon nanotube/polymer composites

NASA Astrophysics Data System (ADS)

Yazdchi, K.; Salehi, M.; Shokrieh, M. M.

2009-03-01

By introducing a new simplified 3D representative volume element for wavy carbon nanotubes, an analytical model is developed to study the stress transfer in single-walled carbon nanotube-reinforced polymer composites. Based on the pull-out modeling technique, the effects of waviness, aspect ratio, and Poisson ratio on the axial and interfacial shear stresses are analyzed in detail. The results of the present analytical model are in a good agreement with corresponding results for straight nanotubes.

Mathematical model for self-propelled droplets driven by interfacial tension

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nagai, Ken H.; Tachibana, Kunihito; Tobe, Yuta

2016-03-21

We propose a model for the spontaneous motion of a droplet induced by inhomogeneity in interfacial tension. The model is derived from a variation of the Lagrangian of the system and we use a time-discretized Morse flow scheme to perform its numerical simulations. Our model can naturally simulate the dynamics of a single droplet, as well as that of multiple droplets, where the volume of each droplet is conserved. We reproduced the ballistic motion and fission of a droplet, and the collision of two droplets was also examined numerically.

Numerical determination of the interfacial energy and nucleation barrier of curved solid-liquid interfaces in binary systems

NASA Astrophysics Data System (ADS)

Kundin, Julia; Choudhary, Muhammad Ajmal

2016-07-01

The phase-field crystal (PFC) technique is a widely used approach for modeling crystal growth phenomena with atomistic resolution on mesoscopic time scales. We use a two-dimensional PFC model for a binary system based on the work of Elder et al. [Phys. Rev. B 75, 064107 (2007), 10.1103/PhysRevB.75.064107] to study the effect of the curved, diffuse solid-liquid interface on the interfacial energy as well as the nucleation barrier. The calculation of the interfacial energy and the nucleation barrier certainly depends on the proper definition of the solid-liquid dividing surface and the corresponding nucleus size. We define the position of the sharp interface at which the interfacial energy is to be evaluated by using the concept of equimolar dividing surface (re) and the minimization of the interfacial energy (rs). The comparison of the results based on both radii shows that the difference re-rs is always positive and has a limit for large cluster sizes which is comparable to the Tolman length. Furthermore, we found the real nucleation barrier for small cluster sizes, which is defined as a function of the radius rs, and compared it with the classical nucleation theory. The simulation results also show that the extracted interfacial energy as function of both radii is independent of system size, and this dependence can be reasonably described by the nonclassical Tolman formula with a positive Tolman length.

Modeling Interfacial Thermal Boundary Conductance of Engineered Interfaces

DTIC Science & Technology

2014-08-31

melting / recrystallization of the subsurface Ag/Cu interface. Observed the formation of a novel, lattice-mismatched interfacial microstruc- ture...calculations were converged within 1 × 10−4 Ryd with respect to wave function cutoff energy, energy density cutoff, and k- point sampling. The A-EAM

Multiple-relaxation-time color-gradient lattice Boltzmann model for simulating two-phase flows with high density ratio

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ba, Yan; Liu, Haihu; Li, Qing

2016-08-15

In this paper, we propose a color-gradient lattice Boltzmann (LB) model for simulating two-phase flows with high density ratio and high Reynolds number. The model applies a multi-relaxation-time (MRT) collision operator to enhance the stability of the simulation. A source term, which is derived by the Chapman-Enskog analysis, is added into the MRT LB equation so that the Navier-Stokes equations can be exactly recovered. Also, a new form of the equilibrium density distribution function is used to simplify the source term. To validate the proposed model, steady flows of a static droplet and the layered channel flow are first simulatedmore » with density ratios up to 1000. Small values of spurious velocities and interfacial tension errors are found in the static droplet test, and improved profiles of velocity are obtained by the present model in simulating channel flows. Then, two cases of unsteady flows, Rayleigh-Taylor instability and droplet splashing on a thin film, are simulated. In the former case, the density ratio of 3 and Reynolds numbers of 256 and 2048 are considered. The interface shapes and spike/bubble positions are in good agreement with the results of previous studies. In the latter case, the droplet spreading radius is found to obey the power law proposed in previous studies for the density ratio of 100 and Reynolds number up to 500.« less

Quantitative characterization of the interfacial adhesion of Ni thin film on steel substrate: A compression-induced buckling delamination test

NASA Astrophysics Data System (ADS)

Zhu, W.; Zhou, Y. C.; Guo, J. W.; Yang, L.; Lu, C.

2015-01-01

A compression-induced buckling delamination test is employed to quantitatively characterize the interfacial adhesion of Ni thin film on steel substrate. It is shown that buckles initiate from edge flaws and surface morphologies exhibit symmetric, half-penny shapes. Taking the elastoplasticity of film and substrate into account, a three-dimensional finite element model for an edge flaw with the finite size is established to simulate the evolution of energy release rates and phase angles in the process of interfacial buckling-driven delamination. The results show that delamination propagates along both the straight side and curved front. The mode II delamination plays a dominant role in the process with a straight side whilst the curved front experiences almost the pure mode I. Based on the results of finite element analysis, a numerical model is developed to evaluate the interfacial energy release rate, which is in the range of 250-315 J/m2 with the corresponding phase angle from -41° to -66°. These results are in agreement with the available values determined by other testing methods, which confirms the effectiveness of the numerical model.

Monte-Carlo modelling of nano-material photocatalysis: bridging photocatalytic activity and microscopic charge kinetics.

PubMed

Liu, Baoshun

2016-04-28

In photocatalysis, it is known that light intensity, organic concentration, and temperature affect the photocatalytic activity by changing the microscopic kinetics of holes and electrons. However, how the microscopic kinetics of holes and electrons relates to the photocatalytic activity was not well known. In the present research, we developed a Monte-Carlo random walking model that involved all of the charge kinetics, including the photo-generation, the recombination, the transport, and the interfacial transfer of holes and electrons, to simulate the overall photocatalytic reaction, which we called a "computer experiment" of photocatalysis. By using this model, we simulated the effect of light intensity, temperature, and organic surface coverage on the photocatalytic activity and the density of the free electrons that accumulate in the simulated system. It was seen that the increase of light intensity increases the electron density and its mobility, which increases the probability for a hole/electron to find an electron/hole for recombination, and consequently led to an apparent kinetics that the quantum yield (QY) decreases with the increase of light intensity. It was also seen that the increase of organic surface coverage could increase the rate of hole interfacial transfer and result in the decrease of the probability for an electron to recombine with a hole. Moreover, the increase of organic coverage on the nano-material surface can also increase the accumulation of electrons, which enhances the mobility for electrons to undergo interfacial transfer, and finally leads to the increase of photocatalytic activity. The simulation showed that the temperature had a more complicated effect, as it can simultaneously change the activation of electrons, the interfacial transfer of holes, and the interfacial transfer of electrons. It was shown that the interfacial transfer of holes might play a main role at low temperature, with the temperature-dependence of QY conforming to the Arrhenius model. The activation of electrons from the traps to the conduction band might become important at high temperature, which accelerates the electron movement for recombination and leads to a temperature dependence of QY that deviates from the Arrhenius model.

Modeling the purging of dense fluid from a street canyon driven by an interfacial mixing flow and skimming flow

NASA Astrophysics Data System (ADS)

Baratian-Ghorghi, Z.; Kaye, N. B.

2013-07-01

An experimental study is presented to investigate the mechanism of flushing a trapped dense contaminant from a canyon by turbulent boundary layer flow. The results of a series of steady-state experiments are used to parameterize the flushing mechanisms. The steady-state experimental results for a canyon with aspect ratio one indicate that dense fluid is removed from the canyon by two different processes, skimming of dense fluid from the top of the dense layer; and by an interfacial mixing flow that mixes fresh fluid down into the dense lower layer (entrainment) while mixing dense fluid into the flow above the canyon (detrainment). A model is developed for the time varying buoyancy profile within the canyon as a function of the Richardson number which parameterizes both the interfacial mixing and skimming processes observed. The continuous release steady-state experiments allowed for the direct measurement of the skimming and interfacial mixing flow rates for any layer depth and Richardson number. Both the skimming rate and the interfacial mixing rate were found to be power-law functions of the Richardson number of the layer. The model results were compared to the results of previously published finite release experiments [Z. Baratian-Ghorghi and N. B. Kaye, Atmos. Environ. 60, 392-402 (2012)], 10.1016/j.atmosenv.2012.06.077. A high degree of consistency was found between the finite release data and the continuous release data. This agreement acts as an excellent check on the measurement techniques used, as the finite release data was based on curve fitting through buoyancy versus time data, while the continuous release data was calculated directly by measuring the rate of addition of volume and buoyancy once a steady-state was established. Finally, a system of ordinary differential equations is presented to model the removal of dense fluid from the canyon based on empirical correlations of the skimming and interfacial mixing taken form the steady-state experiments. The ODE model predicts well the time taken for a finite volume of dense fluid to be flushed from a canyon.

Sum Frequency Generation of Interfacial Lipid Monolayers Shows Polarization Dependence on Experimental Geometries.

PubMed

Li, Bolin; Li, Xu; Ma, Yong-Hao; Han, Xiaofeng; Wu, Fu-Gen; Guo, Zhirui; Chen, Zhan; Lu, Xiaolin

2016-07-19

Sum frequency generation (SFG) vibrational spectroscopy has been widely employed to investigate molecular structures of biological surfaces and interfaces including model cell membranes. A variety of lipid monolayers or bilayers serving as model cell membranes and their interactions with many different molecules have been extensively studied using SFG. Here, we conducted an in-depth investigation on polarization-dependent SFG signals collected from interfacial lipid monolayers using different experimental geometries, i.e., the prism geometry (total internal reflection) and the window geometry (external reflection). The different SFG spectral features of interfacial lipid monolayers detected using different experimental geometries are due to the interplay between the varied Fresnel coefficients and second-order nonlinear susceptibility tensor terms of different vibrational modes (i.e., ss and as modes of methyl groups), which were analyzed in detail in this study. Therefore, understanding the interplay between the interfacial Fresnel coefficients and χ((2)) tensors is a prerequisite for correctly understanding the SFG spectral features with respect to different experimental geometries. More importantly, the derived information in this paper should not be limited to the methyl groups with a C3v symmetry; valid extension to interfacial functional groups with different molecular symmetries and even chiral interfaces could be expected.

Simulation of Two-Phase Flow Based on a Thermodynamically Constrained Averaging Theory Flow Model

NASA Astrophysics Data System (ADS)

Weigand, T. M.; Dye, A. L.; McClure, J. E.; Farthing, M. W.; Gray, W. G.; Miller, C. T.

2014-12-01

The thermodynamically constrained averaging theory (TCAT) has been used to formulate general classes of porous medium models, including new models for two-fluid-phase flow. The TCAT approach provides advantages that include a firm connection between the microscale, or pore scale, and the macroscale; a thermodynamically consistent basis; explicit inclusion of factors such as interfacial areas, contact angles, interfacial tension, and curvatures; and dynamics of interface movement and relaxation to an equilibrium state. In order to render the TCAT model solvable, certain closure relations are needed to relate fluid pressure, interfacial areas, curvatures, and relaxation rates. In this work, we formulate and solve a TCAT-based two-fluid-phase flow model. We detail the formulation of the model, which is a specific instance from a hierarchy of two-fluid-phase flow models that emerge from the theory. We show the closure problem that must be solved. Using recent results from high-resolution microscale simulations, we advance a set of closure relations that produce a closed model. Lastly, we use locally conservative spatial discretization and higher order temporal discretization methods to approximate the solution to this new model and compare the solution to the traditional model.

Effect of Surface Excess Energy Transport on the Rupture of an Evaporating Film

NASA Astrophysics Data System (ADS)

Luo, Yan; Zhou, Jianqiu; Yang, Xia; Liu, Rong

2018-05-01

In most of existing works on the instabilities of an evaporating film, the energy boundary condition only takes into account contributions of the evaporation latent heat and the heat conduction in the liquid. We use a new generalized energy boundary condition at the evaporating liquid-vapor interface, in which the contribution of the transport of the Gibbs excess energy is included. We have derived the long-wave equations in which the thickness of film and the interfacial temperature are coupled to describe the dynamics of an evaporating thin film. The results of our computation show that the transport of the Gibbs excess internal energy delay the rupture of thin films due to van de Waals force, evaporating effect and vapor recoil.

Atomic structure and bonding of the interfacial bilayer between Au nanoparticles and epitaxially regrown MgAl{sub 2}O{sub 4} substrates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Guo-zhen; Canadian Centre of Electron Microscopy and Department of Materials Science and Engineering, McMaster University, 1280 Main Street West, Hamilton, Ontario L8S 4M1; Majdi, Tahereh

2014-12-08

A unique metal/oxide interfacial bilayer formed between Au nanoparticles and MgAl{sub 2}O{sub 4} substrates following thermal treatment is reported. Associated with the formation of the bilayer was the onset of an abnormal epitaxial growth of the substrate under the nanoparticle. According to the redistribution of atoms and the changes of their electronic structure probed across the interface by a transmission electron microscopy, we suggest two possible atomic models of the interfacial bilayer.

Trap-assisted transition between Schottky emission and Fowler-Nordheim tunneling in the interfacial-memristor based on Bi2S3 nano-networks

NASA Astrophysics Data System (ADS)

Tian, Ye; Jiang, Lianjun; Zhang, Xuejun; Zhang, Guangfu; Zhu, Qiuxiang

2018-03-01

For the usage of the memristors in functional circuits, a predictive physical model is of great importance. However, other than the developments of the memristive models accounting bulky effects, the achievements on simulating the interfacial memristance are still insufficient. Here we provide a physical model to describe the electrical switching of the memristive interface. It considers the trap-assisted transition between Schottky emission and Fowler-Nordheim tunneling, and successfully reproduces the memristive behaviors occurring on the interface between Bi2S3 nano-networks and F-doped SnO2. Such success not only allows us uncover several features of the memristive interface including the distribution nature of the traps, barrier height/thickness and so on, but also provides a foundation from which we can quantitatively simulate the real interfacial memristor.

Rupture dynamics along bimaterial interfaces: a parametric study of the coupling between interfacial sliding and normal traction perturbation

NASA Astrophysics Data System (ADS)

Scala, Antonio; Festa, Gaetano; Vilotte, Jean-Pierre

2017-04-01

Earthquake ruptures often develop along faults separating materials with dissimilar elastic properties. Due to the broken symmetry, the propagation of the rupture along the bimaterial interface is driven by the coupling between interfacial sliding and normal traction perturbations. We numerically investigate in-plane rupture growth along a planar interface, under slip weakening friction, separating two dissimilar isotropic linearly elastic half-spaces. We perform a parametric study of the classical Prakash-Clifton regularisation for different material contrasts. In particular mesh-dependence and regularisation-dependence of the numerical solutions are analysed in this parameter space. When regularisation involves a slip-rate dependent relaxation time, a characteristic sliding distance is identified below which numerical solutions no longer depend on the regularisation parameter, i.e. they are consistent solutions of the same physical problem. Such regularisation provides an adaptive high-frequency filter of the slip-induced normal traction perturbations, following the dynamic shrinking of the dissipation zone during the acceleration phase. In contrast, regularisation involving a constant relaxation time leads to numerical solutions that always depend on the regularisation parameter since it fails adapting to the shrinking of the process zone. Dynamic regularisation is further investigated using a non-local regularisation based on a relaxation time that depends on the dynamic length of the dissipation zone. Such reformulation is shown to provide similar results as the dynamic time scale regularisation proposed by Prakash-Clifton when slip rate is replaced by the maximum slip rate along the sliding interface. This leads to the identification of a dissipative length scale associated with the coupling between interfacial sliding and normal traction perturbations, together with a scaling law between the maximum slip rate and the dynamic size of the process zone during the rupture propagation. Dynamic time scale regularisation is show to provide mesh-independent and physically well-posed numerical solutions during the acceleration phase toward an asymptotic speed. When generalised Rayleigh wave does not exist, numerical solutions are shown to tend toward an asymptotic velocity higher than the slowest shear wave speed. When generalised Rayleigh wave speed exists, as numerical solutions tend toward this velocity, increasing spurious oscillations develop and solutions become unstable. In this regime regularisation dependent and unstable finite-size pulses may be generated. This instability is associated with the singular behaviour of the slip-induced normal traction perturbations, and of the slip rate at the rupture front, in relation with complete shrinking of the dissipation zone. This phase requires to be modelled either by more complex interface constitutive laws involving velocity-strengthening effects that may stabilize short wavelength interfacial propagating modes or by considering non-ideal interfaces that introduce a new length scale in the problem that may promote selection and stabilization of the slip pulses.

Comparison of entrainment in constant volume and constant flux dense currents over sloping bottoms

NASA Astrophysics Data System (ADS)

Bhaganagar, K.; Nayamatullah, M.; Cenedese, C.

2014-12-01

Three dimensional high resolution large eddy simulations (LES) are employed to simulate lock-exchange and constant flux dense flows over inclined surface with the aim of investigating, visualizing and describing the turbulent structure and the evolution of bottom-propagating compositional density current at the channel bottom. The understanding of dynamics of density current is largely determined by the amount of interfacial mixing or entrainment between the ambient and dense fluids. No previous experimental or numerical studies have been done to estimate entrainment in classical lock-exchange system. The differences in entrainment between the lock-exchange and constant flux are explored. Comparing the results of flat bed with inclined surface results, flow exhibits significant differences near the leading edge or nose of the front of the density currents due to inclination of surface. Further, the instabilities are remarkably enhanced resulting Kelvin-Helmholtz and lobe-cleft type of instabilities arises much earlier in time. In this study, a brief analysis of entrainment on lock-exchange density current is presented using different bed slopes and a set of reduced gravity values (g'). We relate the entrainment value with different flow parameters such as Froude number (Fr) and Reynolds number (Re).

Effects of geometry and fluid elasticity during polymeric droplet pinch-off in microfluidic environments

NASA Astrophysics Data System (ADS)

Steinhaus, Ben; Shen, Amy; Sureshkumar, Radhakrishna

2006-11-01

We investigate the effects of fluid elasticity and channel geometry on polymeric droplet pinch-off by performing systematic experiments using viscoelastic polymer solutions which possess practically shear rate-independent viscosity (Boger fluids). Four different geometric sizes (width and depth are scaled up proportionally at the ratio of 0.5, 1, 2, 20) are used to study the effect of the length scale, which in turn influences the ratio of elastic to viscous forces as well as the Rayleigh time scale associated with the interfacial instability of a cylindrical column of liquid. We observe a power law relationship between the dimensionless (scaled with respect to the Rayleigh time scale) capillary pinch-off time, T, and the elasticity number, E, defined as the ratio of the fluid relaxation time to the time scale of viscous diffusion. In general, T increases dramatically with increasing E. The inhibition of ``bead-on-a-string'' formation is observed for flows with effective Deborah number, De, defined as the ratio of the fluid relaxation time to the Rayleigh time scale becomes greater than 10. For sufficiently large values of De, the Rayleigh instability may be modified substantially by fluid elasticity.

Two-layer displacement flow of miscible fluids with viscosity ratio: Experiments

NASA Astrophysics Data System (ADS)

Etrati, Ali; Alba, Kamran; Frigaard, Ian A.

2018-05-01

We investigate experimentally the density-unstable displacement flow of two miscible fluids along an inclined pipe. This means that the flow is from the top to bottom of the pipe (downwards), with the more dense fluid above the less dense. Whereas past studies have focused on iso-viscous displacements, here we consider viscosity ratios in the range 1/10-10. Our focus is on displacements where the degree of transverse mixing is low-moderate, and thus a two-layer, stratified flow is observed. A wide range of parameters is covered in order to observe the resulting flow regimes and to understand the effect of the viscosity contrast. The inclination of the pipe (β) is varied from near horizontal β = 85° to near vertical β = 10°. At each angle, the flow rate and viscosity ratio are varied at fixed density contrast. Flow regimes are mapped in the (Fr, Re cos β/Fr)-plane, delineated in terms of interfacial instability, front dynamics, and front velocity. Amongst the many observations, we find that viscosifying the less dense fluid tends to significantly destabilize the flow. Different instabilities develop at the interface and in the wall-layers.

Nonlinear Pattern Selection in Bi-Modal Interfacial Instabilities

NASA Astrophysics Data System (ADS)

Picardo, Jason; Narayanan, Ranga

2016-11-01

We study the evolution of two interacting unstable interfaces, with the aim of understanding the role of non-linearity in pattern selection. Specifically, we consider two superposed thin films on a heated surface, that are susceptible to thermocapillary and Rayleigh-Taylor instabilities. Due to the presence of two unstable interfaces, the dispersion curve (linear growth rate plotted as a function of the perturbation wavelength) exhibits two peaks. If these peaks have equal heights, then the two corresponding disturbance patterns will grow with the same linear growth rate. Therefore, any selection between the two must occur via nonlinear effects. The two-interface problem under consideration provides a variety of such bi-modal situations, in which the role of nonlinearity in pattern selection is unveiled. We use a combination of long wave asymptotics, numerical simulations and amplitude expansions to understand the subtle nonlinear interactions between the two peak modes. Our results offer a counter-example to Rayleigh's principle of pattern formation, that the fastest growing linear mode will dominate the final pattern. Far from being governed by any such general dogma, the final selected pattern varies considerably from case to case. The authors acknowledge funding from NSF (0968313) and the Fulbright-Nehru fellowship.

Comparing kinetic Monte Carlo and thin-film modeling of transversal instabilities of ridges on patterned substrates

NASA Astrophysics Data System (ADS)

Tewes, Walter; Buller, Oleg; Heuer, Andreas; Thiele, Uwe; Gurevich, Svetlana V.

2017-03-01

We employ kinetic Monte Carlo (KMC) simulations and a thin-film continuum model to comparatively study the transversal (i.e., Plateau-Rayleigh) instability of ridges formed by molecules on pre-patterned substrates. It is demonstrated that the evolution of the occurring instability qualitatively agrees between the two models for a single ridge as well as for two weakly interacting ridges. In particular, it is shown for both models that the instability occurs on well defined length and time scales which are, for the KMC model, significantly larger than the intrinsic scales of thermodynamic fluctuations. This is further evidenced by the similarity of dispersion relations characterizing the linear instability modes.

The interfacial strength of carbon nanofiber epoxy composite using single fiber pullout experiments.

PubMed

Manoharan, M P; Sharma, A; Desai, A V; Haque, M A; Bakis, C E; Wang, K W

2009-07-22

Carbon nanotubes and nanofibers are extensively researched as reinforcing agents in nanocomposites for their multifunctionality, light weight and high strength. However, it is the interface between the nanofiber and the matrix that dictates the overall properties of the nanocomposite. The current trend is to measure elastic properties of the bulk nanocomposite and then compare them with theoretical models to extract the information on the interfacial strength. The ideal experiment is single fiber pullout from the matrix because it directly measures the interfacial strength. However, the technique is difficult to apply to nanocomposites because of the small size of the fibers and the requirement for high resolution force and displacement sensing. We present an experimental technique for measuring the interfacial strength of nanofiber-reinforced composites using the single fiber pullout technique and demonstrate the technique for a carbon nanofiber-reinforced epoxy composite. The experiment is performed in situ in a scanning electron microscope and the interfacial strength for the epoxy composite was measured to be 170 MPa.

Interfacial assignment of branched-alkyl benzene sulfonates: A molecular simulation

NASA Astrophysics Data System (ADS)

Liu, Zi-Yu; Wei, Ning; Wang, Ce; Zhou, He; Zhang, Lei; Liao, Qi; Zhang, Lu

2015-11-01

A molecular dynamics simulation was conducted to analyze orientations of sodium branched-alkyl benzene sulfonates molecules at nonane/water interface, which is helpful to design optimal surfactant structures to achieve ultralow interfacial tension (IFT). Through the two dimensional density profiles, monolayer collapses are found when surfactant concentration continues to increase. Thus the precise scope of monolayer is certain and orientation can be analyzed. Based on the simulated results, we verdict the interfacial assignment of branched-alkyl benzene sulfonates at the oil-water interface, and discuss the effect of hydrophobic tail structure on surfactant assignment. Bigger hydrophobic size can slow the change rate of surfactant occupied area as steric hindrance, and surfactant meta hydrophobic tails have a stronger tendency to stretch to the oil phase below the collapsed concentration. Furthermore, an interfacial model with reference to collapse, increasing steric hindrance and charge repulsive force between interfacial surfactant molecules, responsible for effecting of surfactant concentration and structure has been supposed.

Flux-pinning-induced interfacial shearing and transverse normal stress in a superconducting coated conductor long strip

NASA Astrophysics Data System (ADS)

Jing, Ze; Yong, Huadong; Zhou, Youhe

2012-08-01

In this paper, a theoretical model is proposed to analyze the transverse normal stress and interfacial shearing stress induced by the electromagnetic force in the superconducting coated conductor. The plane strain approach is used and a singular integral equation is derived. By assuming that the critical current density is magnetic field independent and the superconducting film is infinitely thin, the interfacial shearing stress and normal stress in the film are evaluated for the coated conductor during the increasing and decreasing in the transport current, respectively. The calculation results are discussed and compared for the conductor with different substrate and geometry. The results indicate that the coated conductor with stiffer substrate and larger width experiences larger interfacial shearing stress and less normal stress in the film.

Effect of interfacial stresses in an elastic body with a nanoinclusion

NASA Astrophysics Data System (ADS)

Vakaeva, Aleksandra B.; Grekov, Mikhail A.

2018-05-01

The 2-D problem of an infinite elastic solid with a nanoinclusion of a different from circular shape is solved. The interfacial stresses are acting at the interface. Contact of the inclusion with the matrix satisfies the ideal conditions of cohesion. The generalized Laplace - Young law defines conditions at the interface. To solve the problem, Gurtin - Murdoch surface elasticity model, Goursat - Kolosov complex potentials and the boundary perturbation method are used. The problem is reduced to the solution of two independent Riemann - Hilbert's boundary problems. For the circular inclusion, hypersingular integral equation in an unknown interfacial stress is derived. The algorithm of solving this equation is constructed. The influence of the interfacial stress and the dimension of the circular inclusion on the stress distribution and stress concentration at the interface are analyzed.

Multiscale Modeling of Thermal Conductivity of Polymer/Carbon Nanocomposites

NASA Technical Reports Server (NTRS)

Clancy, Thomas C.; Frankland, Sarah-Jane V.; Hinkley, Jeffrey A.; Gates, Thomas S.

2010-01-01

Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between nanoparticles and amorphous and crystalline polymer matrices. Bulk thermal conductivities of the nanocomposites were then estimated using an established effective medium approach. To study functionalization, oligomeric ethylene-vinyl alcohol copolymers were chemically bonded to a single wall carbon nanotube. The results, in a poly(ethylene-vinyl acetate) matrix, are similar to those obtained previously for grafted linear hydrocarbon chains. To study the effect of noncovalent functionalization, two types of polyethylene matrices. -- aligned (extended-chain crystalline) vs. amorphous (random coils) were modeled. Both matrices produced the same interfacial thermal resistance values. Finally, functionalization of edges and faces of plate-like graphite nanoparticles was found to be only modestly effective in reducing the interfacial thermal resistance and improving the composite thermal conductivity

The Gas-Absorption/Chemical-Reaction Method for Measuring Air-Water Interfacial Area in Natural Porous Media

NASA Astrophysics Data System (ADS)

Lyu, Ying; Brusseau, Mark L.; El Ouni, Asma; Araujo, Juliana B.; Su, Xiaosi

2017-11-01

The gas-absorption/chemical-reaction (GACR) method used in chemical engineering to quantify gas-liquid interfacial area in reactor systems is adapted for the first time to measure the effective air-water interfacial area of natural porous media. Experiments were conducted with the GACR method, and two standard methods (X-ray microtomographic imaging and interfacial partitioning tracer tests) for comparison, using model glass beads and a natural sand. The results of a series of experiments conducted under identical conditions demonstrated that the GACR method exhibited excellent repeatability for measurement of interfacial area (Aia). Coefficients of variation for Aia were 3.5% for the glass beads and 11% for the sand. Extrapolated maximum interfacial areas (Am) obtained with the GACR method were statistically identical to independent measures of the specific solid surface areas of the media. For example, the Am for the glass beads is 29 (±1) cm-1, compared to 32 (±3), 30 (±2), and 31 (±2) cm-1 determined from geometric calculation, N2/BET measurement, and microtomographic measurement, respectively. This indicates that the method produced accurate measures of interfacial area. Interfacial areas determined with the GACR method were similar to those obtained with the standard methods. For example, Aias of 47 and 44 cm-1 were measured with the GACR and XMT methods, respectively, for the sand at a water saturation of 0.57. The results of the study indicate that the GACR method is a viable alternative for measuring air-water interfacial areas. The method is relatively quick, inexpensive, and requires no specialized instrumentation compared to the standard methods.

Mechanistic study of the rubber-brass adhesion interphase

NASA Astrophysics Data System (ADS)

Ashirgade, Akshay

Brass-plated steel tire cords form an essential strengthening component of a radial automobile tire. Adhesion between rubber compound and brass-plated steel tire cord is crucial in governing the overall performance of tires. The rubber-brass interfacial adhesion is influenced by the chemical composition and thickness of the interfacial layer. It has been shown that the interfacial layer consists mainly of sulfides and oxides of copper and zinc. This thesis discusses the effect of changes in the chemical composition and the structure of the interfacial layers due to addition of adhesion promoter resins. Grazing incidence X-Ray Diffraction (GIXRD) experiments were run on sulfidized polished brass coupons previously bonded to six experimental rubber compounds. It was confirmed that heat and humidity conditions lead to physical and chemical changes of the rubber-steel tire cord interfacial layer, closely related to the degree of rubber-brass adhesion. Morphological transformation of the interfacial layer led to loss of adhesion after aging. The adhesion promoter resins inhibit unfavorable morphological changes in the interfacial layer thus stabilizing it during aging and prolonging failure. Tire cord adhesion tests illustrated that the one-component resins improved adhesion after aging using a rubber compound with lower cobalt loading. Based on the acquired diffraction profiles, these resins were also found to impede crystallization of the sulfide layer after aging leading to improved adhesion. Secondary Ion Mass Spectrometry (SIMS) depth profiles, SEM micrographs and AFM images strongly corroborated the findings from GIXRD. FTIR was utilized in a novel way to understand the degradation mechanism due to aging. A model for rubber and interfacial layer degradation is proposed to illustrate the effect of aging and the one-component resins. This interfacial analysis adds valuable new information to our understanding of the complex nature of the rubber-brass bonding mechanism.

Analysis of Interface Properties of Hybrid Pre-stressed Strengthening RC Beams with Crack

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xie Zhihong; Huang Peiyan; Guo Yongchang

2010-05-21

A finite element (FE) analysis model of interface layer is established for the pre-stressed CFS-GFS hybrid strengthened beams. An elastic solution for the interfacial stress in the adhesive layer of the retrofitted beams is developed as well. The analytical results were compared with the FE results of interfacial stresses in the beams with different thickness of the adhesive and the fibre sheet. Different heights of Cracks in the interfacial layer of the concrete beam are considered in FE Model. Analysis results show the strengthening pattern is of excellent interface performance and the strength of the fiber sheet can be effectivelymore » utilized. The results also indicate the shear and normal stresses in the interfacial layer of the concrete beam release at the locations of the cracks and reach the maximal value before the concrete cracked. The shear and normal stresses in the adhesive layer increase abruptly, and the cracks in the adhesive layer then appear. The axial stresses of hybrid fiber sheet near the cracks decrease locally at the sites of the concrete cracks.« less

A kinetic model for the thermal nitridation of SiO2/Si

NASA Technical Reports Server (NTRS)

Vasquez, R. P.; Madhukar, A.

1986-01-01

To explain the observed nitrogen distributions in thermally nitridated SiO2 films, a kinetic model is proposed in which the nitridation process is simulated, using the first-order chemical kinetics and Arrhenius dependence of the diffusion and reaction rates on temperature. The calculations show that initially, as the substrate reacts with diffusing nitrogen, a nitrogen-rich oxynitride forms at the SiO2-Si interface, while at nitridation temperatures above 1000 C, an oxygen-rich oxynitride subsequently forms at the interface, due to reaction of the substrate with an increasingly concentrated oxygen displaced by the slower nitridation of the SiO2. This sequence of events results in a nitrogen distribution in which the peak of the interfacial nitrogen concentration occurs away from the interface. The results are compared with the observed nitrogen distribution. The calculated results have correctly predicted the positions of the interfacial nitrogen peaks at the temperatures of 800, 1000, and 1150 C. To account for the observed width of the interfacial nitrogen distribution, it was found necessary to include in the simulations the effect of interfacial strain.

Effects of damage and thermal residual stresses on the overall elastoplastic behavior of particle-reinforced metal matrix composites

NASA Astrophysics Data System (ADS)

Liu, Haitao

The objective of the present study is to investigate damage mechanisms and thermal residual stresses of composites, and to establish the frameworks to model the particle-reinforced metal matrix composites with particle-matrix interfacial debonding, particle cracking or thermal residual stresses. An evolutionary interfacial debonding model is proposed for the composites with spheroidal particles. The construction of the equivalent stiffness is based on the fact that when debonding occurs in a certain direction, the load-transfer ability will lose in that direction. By using this equivalent method, the interfacial debonding problem can be converted into a composite problem with perfectly bonded inclusions. Considering the interfacial debonding is a progressive process in which the debonding area increases in proportion to external loading, a progressive interfacial debonding model is proposed. In this model, the relation between external loading and the debonding area is established using a normal stress controlled debonding criterion. Furthermore, an equivalent orthotropic stiffness tensor is constructed based on the debonding areas. This model is able to study the composites with randomly distributed spherical particles. The double-inclusion theory is recalled to model the particle cracking problems. Cracks inside particles are treated as penny-shape particles with zero stiffness. The disturbed stress field due to the existence of a double-inclusion is expressed explicitly. Finally, a thermal mismatch eigenstrain is introduced to simulate the inconsistent expansions of the matrix and the particles due to the difference of the coefficients of thermal expansion. Micromechanical stress and strain fields are calculated due to the combination of applied external loads and the prescribed thermal mismatch eigenstrains. For all of the above models, ensemble-volume averaging procedures are employed to derive the effective yield function of the composites. Numerical simulations are performed to analyze the effects of various parameters and several good agreements between our model's predictions and experimental results are obtained. It should be mentioned that all of expressions in the frameworks are explicitly derived and these analytical results are easy to be adopted in other related investigations.

A micromechanical study of the damage mechanics of acrylic particulate composites under thermomechanical loading

NASA Astrophysics Data System (ADS)

Nie, Shihua

The main aim of this dissertation was to characterize the damage mechanism and fatigue behavior of the acrylic particulate composite. This dissertation also investigated how the failure mechanism is influenced by changes in certain parameters including the volume fraction of particle, the interfacial bonding strength, the stiffness and thickness of the interphase, and the CTE mismatch between the particle and the matrix. Monotonic uniaxial tensile and compressive testing under various temperatures and strain rates, isothermal low-cycle mechanical testing and thermal cycling of a plate with a cutout were performed. The influence of the interfacial bonding strength between the particle and the matrix on the failure mechanism of the ATH filled PMMA was investigated using in situ observations under uniaxial loading conditions. For composites with weak interfacial bonding, the debonding is the major damage mode. For composites with strong interfacial bonding, the breakage of the agglomerate of particles is the major damage mode. Experimental studies also demonstrated the significant influence of interfacial bonding strength on the fatigue life of the ATH filled PMMA. The damage was characterized in terms of the elastic modulus degradation, the load-drop parameter, the plastic strain range and the hysteresis dissipation. Identifying the internal state variables that quantify material degradation under thermomechanical loading is an active research field. In this dissertation, the entropy production, which is a measure of the irreversibility of the thermodynamic system, is used as the metric for damage. The close correlation between the damage measured in terms of elastic modulus degradation and that obtained from the finite element simulation results validates the entropy based damage evolution function. A micromechanical model for acrylic particulate composites with imperfect interfacial bonds was proposed. Acrylic particulate composites are treated as three-phase composites consisting of agglomerated particles, bulk matrix and an interfacial transition zone around the agglomerate. The influence of the interfacial bonding and the CTE mismatch between the matrix and the filler on the overall thermomechanical behavior of composites is studied analytically and experimentally. The comparison of analytical simulation with experimental data demonstrated the validity of the proposed micromechanical model for acrylic particulate composites with an imperfect interface. (Abstract shortened by UMI.)

Numerical study on the mechanism of active interfacial debonding detection for rectangular CFSTs based on wavelet packet analysis with piezoceramics

NASA Astrophysics Data System (ADS)

Xu, Bin; Chen, Hongbing; Xia, Song

2017-03-01

In recent years, Piezoelectric Lead Zirconate Titanate (PZT) based active interfacial debonding defect detection approach for concrete-filled steel tubular (CFST) columns has been proposed and validated experimentally. In order to investigate the mechanism of the PZT based interfacial debonding detection approach, a multi-physics coupling finite element model (FEM) composed of surface-mounted PZT actuator, embedded PZT sensor and a rectangular CFST column is constructed to numerically simulate the stress wave propagation induced by the surface-mounted PZT actuator under different excitation signals with different frequency and amplitude. The measurements of the embedded PZT sensor in concrete core of the CFST columns with different interfacial debonding defect lengths and depths are determined numerically with transient dynamic analysis. The linearity between the PZT response and the input amplitude, the effect of different frequency and measurement distance are discussed and the stress wave fields of CFST members without and with interface debonding defects are compared. Then, the response of the embedded PZT in concrete core is analyzed with wavelet packet analysis. The root mean square deviation (RMSD) of wavelet packet energy spectrum of the PZT measurement is employed as an evaluation index for the interfacial debonding detection. The results showed that the defined index under continuous sinusoidal and sweep frequency signals changes with the interfacial defects length and depth and is capable of effectively identifying the interfacial debonding defect between the concrete core and the steel tubular. Moreover, the index under sweep frequency signal is more sensitive to the interfacial debonding. The simulation results indicate that the interfacial debonding defect leads to the changes in the propagation path, travel time and the magnitude of stress waves. The simulation results meet the findings from the previous experimental study by the authors and help understand the mechanism of interfacial debonding defect detection for CFSTs using PZT technology.

Adhesion and interfacial fracture toughness between hard and soft materials

NASA Astrophysics Data System (ADS)

Rahbar, Nima; Wolf, Kurt; Orana, Argjenta; Fennimore, Roy; Zong, Zong; Meng, Juan; Papandreou, George; Maryanoff, Cynthia; Soboyejo, Wole

2008-11-01

This paper presents the results of a combined experimental and theoretical study of adhesion between hard and soft layers that are relevant to medical devices such as drug-eluting stents and semiconductor applications. Brazil disk specimens were used to measure the interfacial fracture energies between model parylene C and 316L stainless steel over a wide range of mode mixities. The trends in the overall fracture energies are predicted using a combination of adhesion theories and fracture mechanics concepts. The measured interfacial fracture energies are shown to be in good agreement with the predictions.

Fracture of coherent interfaces between an fcc metal matrix and the Cr23C6 carbide precipitate from first principles

NASA Astrophysics Data System (ADS)

Barbé, Elric; Fu, Chu-Chun; Sauzay, Maxime

2018-02-01

It is known that microcrack initiation in metallic alloys containing second-phase particles may be caused by either an interfacial or an intraprecipitate fracture. So far, the dependence of these features on properties of the precipitate and the interface is not clearly known. The present study aims to determine the key properties of carbide-metal interfaces controlling the energy and critical stress of fracture, based on density functional theory (DFT) calculations. We address coherent interfaces between a fcc iron or nickel matrix and a frequently observed carbide, the M23C6 , for which a simplified chemical composition Cr23C6 is assumed. The interfacial properties such as the formation and Griffith energies, and the effective Young's modulus are analyzed as functions of the magnetic state of the metal lattice, including the paramagnetic phase of iron. Interestingly, a simpler antiferromagnetic phase is found to exhibit similar interfacial mechanical behavior to the paramagnetic phase. A linear dependence is determined between the surface (and interface) energy and the variation of the number of chemical bonds weighted by the respective bond strength, which can be used to predict the relative formation energy for the surface and interface with various chemical terminations. Finally, the critical stresses of both intraprecipitate and interfacial fractures due to a tensile loading are estimated via the universal binding energy relation (UBER) model, parametrized on the DFT data. The validity of this model is verified in the case of intraprecipitate fracture, against results from DFT tensile test simulations. In agreement with experimental evidences, we predict a much stronger tendency for an interfacial fracture for this carbide. In addition, the calculated interfacial critical stresses are fully compatible with available experimental data in steels, where the interfacial carbide-matrix fracture is only observed at incoherent interfaces.

Direct restoration modalities of fractured central maxillary incisors: A multi-levels validated finite elements analysis with in vivo strain measurements.

PubMed

Davide, Apicella; Raffaella, Aversa; Marco, Tatullo; Michele, Simeone; Syed, Jamaluddin; Massimo, Marrelli; Marco, Ferrari; Antonio, Apicella

2015-12-01

To quantify the influence of fracture geometry and restorative materials rigidity on the stress intensity and distribution of restored fractured central maxillary incisors (CMI) with particular investigation of the adhesive interfaces. Ancillary objectives are to present an innovative technology to measure the in vivo strain state of sound maxillary incisors and to present the collected data. A validation experimental biomechanics approach has been associated to finite element analysis. FEA models consisted of CMI, periodontal ligament and the corresponding alveolar bone process. Three models were created representing different orientation of the fracture planes. Three different angulations of the fracture plane in buccal-palatal direction were modeled: the fracture plane perpendicular to the long axis in the buccal-palatal direction (0°); the fracture plane inclined bucco-palatally in apical-coronal direction (-30°); the fracture plane inclined palatal-buccally in apical-coronal direction (+30°). First set of computing runs was performed for in vivo FE-model validation purposes. In the second part, a 50N force was applied on the buccal aspect of the CMI models. Ten patients were selected and subjected to the strain measurement of CMI under controlled loading conditions. The main differences were noticed in the middle and incisal thirds of incisors crowns, due to the presence of the incisal portion restoration. The stress intensity in -30° models is increased in the enamel structure close to the restoration, due to a thinning of the remaining natural tissues. The rigidity of the restoring material slightly reduces such phenomenon. -30° model exhibits the higher interfacial stress in the adhesive layer with respect to +30° and 0° models. The lower stress intensity was noticed in the 0° models, restoration material rigidity did not influenced the interfacial stress state in 0° models. On the contrary, material rigidity influenced the interfacial stress state in +30° and -30° models, higher rigidity restoring materials exhibits lower interfacial stress with respect to low rigidity materials. Fracture planes inclined palatal-buccally in apical-coronal direction (+30°) reduce the interfacial stress intensity and natural tissues stress intensity with respect to the other tested configurations. Copyright © 2015 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid-structure interaction, and free surface flow: Part I

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes-wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries-and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid-structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier-Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau-Rayleigh instability in water ripple free surface flow. These last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

Implicit mesh discontinuous Galerkin methods and interfacial gauge methods for high-order accurate interface dynamics, with applications to surface tension dynamics, rigid body fluid-structure interaction, and free surface flow: Part II

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

In this two-part paper, a high-order accurate implicit mesh discontinuous Galerkin (dG) framework is developed for fluid interface dynamics, facilitating precise computation of interfacial fluid flow in evolving geometries. The framework uses implicitly defined meshes-wherein a reference quadtree or octree grid is combined with an implicit representation of evolving interfaces and moving domain boundaries-and allows physically prescribed interfacial jump conditions to be imposed or captured with high-order accuracy. Part one discusses the design of the framework, including: (i) high-order quadrature for implicitly defined elements and faces; (ii) high-order accurate discretisation of scalar and vector-valued elliptic partial differential equations with interfacial jumps in ellipticity coefficient, leading to optimal-order accuracy in the maximum norm and discrete linear systems that are symmetric positive (semi)definite; (iii) the design of incompressible fluid flow projection operators, which except for the influence of small penalty parameters, are discretely idempotent; and (iv) the design of geometric multigrid methods for elliptic interface problems on implicitly defined meshes and their use as preconditioners for the conjugate gradient method. Also discussed is a variety of aspects relating to moving interfaces, including: (v) dG discretisations of the level set method on implicitly defined meshes; (vi) transferring state between evolving implicit meshes; (vii) preserving mesh topology to accurately compute temporal derivatives; (viii) high-order accurate reinitialisation of level set functions; and (ix) the integration of adaptive mesh refinement. In part two, several applications of the implicit mesh dG framework in two and three dimensions are presented, including examples of single phase flow in nontrivial geometry, surface tension-driven two phase flow with phase-dependent fluid density and viscosity, rigid body fluid-structure interaction, and free surface flow. A class of techniques known as interfacial gauge methods is adopted to solve the corresponding incompressible Navier-Stokes equations, which, compared to archetypical projection methods, have a weaker coupling between fluid velocity, pressure, and interface position, and allow high-order accurate numerical methods to be developed more easily. Convergence analyses conducted throughout the work demonstrate high-order accuracy in the maximum norm for all of the applications considered; for example, fourth-order spatial accuracy in fluid velocity, pressure, and interface location is demonstrated for surface tension-driven two phase flow in 2D and 3D. Specific application examples include: vortex shedding in nontrivial geometry, capillary wave dynamics revealing fine-scale flow features, falling rigid bodies tumbling in unsteady flow, and free surface flow over a submersed obstacle, as well as high Reynolds number soap bubble oscillation dynamics and vortex shedding induced by a type of Plateau-Rayleigh instability in water ripple free surface flow. These last two examples compare numerical results with experimental data and serve as an additional means of validation; they also reveal physical phenomena not visible in the experiments, highlight how small-scale interfacial features develop and affect macroscopic dynamics, and demonstrate the wide range of spatial scales often at play in interfacial fluid flow.

Electrical impedance imaging in two-phase, gas-liquid flows: 1. Initial investigation

NASA Technical Reports Server (NTRS)

Lin, J. T.; Ovacik, L.; Jones, O. C.

1991-01-01

The determination of interfacial area density in two-phase, gas-liquid flows is one of the major elements impeding significant development of predictive tools based on the two-fluid model. Currently, these models require coupling of liquid and vapor at interfaces using constitutive equations which do not exist in any but the most rudimentary form. Work described herein represents the first step towards the development of Electrical Impedance Computed Tomography (EICT) for nonintrusive determination of interfacial structure and evolution in such flows.

The two-phase flow IPTT method for measurement of nonwetting-wetting liquid interfacial areas at higher nonwetting saturations in natural porous media

PubMed Central

Zhong, Hua; Ouni, Asma El; Lin, Dan; Wang, Bingguo; Brusseau, Mark L

2017-01-01

Interfacial areas between nonwetting-wetting (NW-W) liquids in natural porous media were measured using a modified version of the interfacial partitioning tracer test (IPTT) method that employed simultaneous two-phase flow conditions, which allowed measurement at NW saturations higher than trapped residual saturation. Measurements were conducted over a range of saturations for a well-sorted quartz sand under three wetting scenarios of primary drainage (PD), secondary imbibition (SI), and secondary drainage (SD). Limited sets of experiments were also conducted for a model glass-bead medium and for a soil. The measured interfacial areas were compared to interfacial areas measured using the standard IPTT method for liquid-liquid systems, which employs residual NW saturations. In addition, the theoretical maximum interfacial areas estimated from the measured data are compared to specific solid surface areas measured with the N2/BET method and estimated based on geometrical calculations for smooth spheres. Interfacial areas increase linearly with decreasing water saturation over the range of saturations employed. The maximum interfacial areas determined for the glass beads, which have no surface roughness, are 32±4 and 36±5 cm−1 for PD and SI cycles, respectively. The values are similar to the geometric specific solid surface area (31±2 cm−1) and the N2/BET solid surface area (28±2 cm−1). The maximum interfacial areas are 274±38, 235±27, and 581±160 cm−1 for the sand for PD, SI, and SD cycles, respectively, and ~7625 cm−1 for the soil for PD and SI. The maximum interfacial areas for the sand and soil are significantly larger than the estimated smooth-sphere specific solid surface areas (107±8 cm−1 and 152±8 cm−1, respectively), but much smaller than the N2/BET solid surface area (1387±92 cm−1 and 55224 cm−1, respectively). The NW-W interfacial areas measured with the two-phase flow method compare well to values measured using the standard IPTT method. PMID:28959079

The electrode/ionic liquid interface: electric double layer and metal electrodeposition.

PubMed

Su, Yu-Zhuan; Fu, Yong-Chun; Wei, Yi-Min; Yan, Jia-Wei; Mao, Bing-Wei

2010-09-10

The last decade has witnessed remarkable advances in interfacial electrochemistry in room-temperature ionic liquids. Although the wide electrochemical window of ionic liquids is of primary concern in this new type of solvent for electrochemistry, the unusual bulk and interfacial properties brought about by the intrinsic strong interactions in the ionic liquid system also substantially influence the structure and processes at electrode/ionic liquid interfaces. Theoretical modeling and experimental characterizations have been indispensable in reaching a microscopic understanding of electrode/ionic liquid interfaces and in elucidating the physics behind new phenomena in ionic liquids. This Minireview describes the status of some aspects of interfacial electrochemistry in ionic liquids. Emphasis is placed on high-resolution and molecular-level characterization by scanning tunneling microscopy and vibrational spectroscopies of interfacial structures, and the initial stage of metal electrodeposition with application in surface nanostructuring.

Simulations of thermal Rayleigh-Marangoni convection in a three-layer liquid-metal-battery model

NASA Astrophysics Data System (ADS)

Köllner, Thomas; Boeck, Thomas; Schumacher, Jörg

2017-11-01

Operating a liquid-metal battery produces Ohmic losses in the electrolyte layer that separates both metal electrodes. As a consequence, temperature gradients establish which potentially cause thermal convection since density and interfacial tension depend on the local temperature. In our numerical investigations, we considered three plane, immiscible layers governed by the Navier-Stokes-Boussinesq equations held at a constant temperature of 500°C at the bottom and top. A homogeneous current is applied that leads to a preferential heating of the mid electrolyte layer. We chose a typical material combination of Li separated by LiCl-KCl (a molten salt) from Pb-Bi for which we analyzed the linear stability of pure thermal conduction and performed three-dimensional direct-numerical simulations by a pseudospectral method probing different: electrolyte layer heights, overall heights, and current densities. Four instability mechanisms are identified, which are partly coupled to each other: buoyant convection in the upper electrode, buoyant convection in the molten salt layer, and Marangoni convection at both interfaces between molten salt and electrode. The global turbulent heat transfer follows scaling predictions for internally heated buoyant convection. Financial support by the Deutsche Forschungsgemeinschaft under Grant No. KO 5515/1-1 is gratefully acknowledged.

Statistical characterization of planar two-dimensional Rayleigh-Taylor mixing layers

NASA Astrophysics Data System (ADS)

Sendersky, Dmitry

2000-10-01

The statistical evolution of a planar, randomly perturbed fluid interface subject to Rayleigh-Taylor instability is explored through numerical simulation in two space dimensions. The data set, generated by the front-tracking code FronTier, is highly resolved and covers a large ensemble of initial perturbations, allowing a more refined analysis of closure issues pertinent to the stochastic modeling of chaotic fluid mixing. We closely approach a two-fold convergence of the mean two-phase flow: convergence of the numerical solution under computational mesh refinement, and statistical convergence under increasing ensemble size. Quantities that appear in the two-phase averaged Euler equations are computed directly and analyzed for numerical and statistical convergence. Bulk averages show a high degree of convergence, while interfacial averages are convergent only in the outer portions of the mixing zone, where there is a coherent array of bubble and spike tips. Comparison with the familiar bubble/spike penetration law h = alphaAgt 2 is complicated by the lack of scale invariance, inability to carry the simulations to late time, the increasing Mach numbers of the bubble/spike tips, and sensitivity to the method of data analysis. Finally, we use the simulation data to analyze some constitutive properties of the mixing process.

Effects of Condensation on Peri-implant Bone Density and Remodeling

PubMed Central

Wang, L.; Wu, Y.; Perez, K.C.; Hyman, S.; Brunski, J.B.; Tulu, U.; Bao, C.; Salmon, B.; Helms, J.A.

2017-01-01

Bone condensation is thought to densify interfacial bone and thus improve implant primary stability, but scant data substantiate either claim. We developed a murine oral implant model to test these hypotheses. Osteotomies were created in healed maxillary extraction sites 1) by drilling or 2) by drilling followed by stepwise condensation with tapered osteotomes. Condensation increased interfacial bone density, as measured by a significant change in bone volume/total volume and trabecular spacing, but it simultaneously damaged the bone. On postimplant day 1, the condensed bone interface exhibited microfractures and osteoclast activity. Finite element modeling, mechanical testing, and immunohistochemical analyses at multiple time points throughout the osseointegration period demonstrated that condensation caused very high interfacial strains, marginal bone resorption, and no improvement in implant stability. Collectively, these multiscale analyses demonstrate that condensation does not positively contribute to implant stability. PMID:28048963

Effects of Condensation on Peri-implant Bone Density and Remodeling.

PubMed

Wang, L; Wu, Y; Perez, K C; Hyman, S; Brunski, J B; Tulu, U; Bao, C; Salmon, B; Helms, J A

2017-04-01

Bone condensation is thought to densify interfacial bone and thus improve implant primary stability, but scant data substantiate either claim. We developed a murine oral implant model to test these hypotheses. Osteotomies were created in healed maxillary extraction sites 1) by drilling or 2) by drilling followed by stepwise condensation with tapered osteotomes. Condensation increased interfacial bone density, as measured by a significant change in bone volume/total volume and trabecular spacing, but it simultaneously damaged the bone. On postimplant day 1, the condensed bone interface exhibited microfractures and osteoclast activity. Finite element modeling, mechanical testing, and immunohistochemical analyses at multiple time points throughout the osseointegration period demonstrated that condensation caused very high interfacial strains, marginal bone resorption, and no improvement in implant stability. Collectively, these multiscale analyses demonstrate that condensation does not positively contribute to implant stability.

Effect of Interfacial Turbulence and Accommodation Coefficient on CFD Predictions of Pressurization and Pressure Control in Cryogenic Storage Tank

NASA Technical Reports Server (NTRS)

Kassemi, Mohammad; Kartuzova, Olga; Hylton, Sonya

2015-01-01

Laminar models agree closely with the pressure evolution and vapor phase temperature stratification but under-predict liquid temperatures. Turbulent SST k-w and k-e models under-predict the pressurization rate and extent of stratification in the vapor but represent liquid temperature distributions fairly well. These conclusions seem to equally apply to large cryogenic tank simulations as well as small scale simulant fluid pressurization cases. Appropriate turbulent models that represent both interfacial and bulk vapor phase turbulence with greater fidelity are needed. Application of LES models to the tank pressurization problem can serve as a starting point.

Generalized skew-symmetric interfacial probability distribution in reflectivity and small-angle scattering analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jiang, Zhang; Chen, Wei

Generalized skew-symmetric probability density functions are proposed to model asymmetric interfacial density distributions for the parameterization of any arbitrary density profiles in the `effective-density model'. The penetration of the densities into adjacent layers can be selectively controlled and parameterized. A continuous density profile is generated and discretized into many independent slices of very thin thickness with constant density values and sharp interfaces. The discretized profile can be used to calculate reflectivities via Parratt's recursive formula, or small-angle scattering via the concentric onion model that is also developed in this work.

Generalized skew-symmetric interfacial probability distribution in reflectivity and small-angle scattering analysis

DOE PAGES

Jiang, Zhang; Chen, Wei

2017-11-03

Generalized skew-symmetric probability density functions are proposed to model asymmetric interfacial density distributions for the parameterization of any arbitrary density profiles in the `effective-density model'. The penetration of the densities into adjacent layers can be selectively controlled and parameterized. A continuous density profile is generated and discretized into many independent slices of very thin thickness with constant density values and sharp interfaces. The discretized profile can be used to calculate reflectivities via Parratt's recursive formula, or small-angle scattering via the concentric onion model that is also developed in this work.

Comparison of the Effect of Horizontal Vibrations on Interfacial Waves in a Two-Layer System of Inviscid Liquids to Effective Gravity Inversion

NASA Astrophysics Data System (ADS)

Pimenova, Anastasiya V.; Goldobin, Denis S.; Lyubimova, Tatyana P.

2018-02-01

We study the waves at the interface between two thin horizontal layers of immiscible liquids subject to high-frequency tangential vibrations. Nonlinear governing equations are derived for the cases of two- and three-dimensional flows and arbitrary ratio of layer thicknesses. The derivation is performed within the framework of the long-wavelength approximation, which is relevant as the linear instability of a thin-layers system is long-wavelength. The dynamics of equations is integrable and the equations themselves can be compared to the Boussinesq equation for the gravity waves in shallow water, which allows one to compare the action of the vibrational field to the action of the gravity and its possible effective inversion.

Mesoscopic modeling of structural and thermodynamic properties of fluids confined by rough surfaces.

PubMed

Terrón-Mejía, Ketzasmin A; López-Rendón, Roberto; Gama Goicochea, Armando

2015-10-21

The interfacial and structural properties of fluids confined by surfaces of different geometries are studied at the mesoscopic scale using dissipative particle dynamics simulations in the grand canonical ensemble. The structure of the surfaces is modeled by a simple function, which allows us to simulate readily different types of surfaces through the choice of three parameters only. The fluids we have modeled are confined either by two smooth surfaces or by symmetrically and asymmetrically structured walls. We calculate structural and thermodynamic properties such as the density, temperature and pressure profiles, as well as the interfacial tension profiles for each case and find that a structural order-disorder phase transition occurs as the degree of surface roughness increases. However, the magnitude of the interfacial tension is insensitive to the structuring of the surfaces and depends solely on the magnitude of the solid-fluid interaction. These results are important for modern nanotechnology applications, such as in the enhanced recovery of oil, and in the design of porous materials with specifically tailored properties.

Convective Electrokinetic Instability With Conductivity Gradients

NASA Astrophysics Data System (ADS)

Chen, Chuan-Hua; Lin, Hao; Lele, Sanjiva; Santiago, Juan

2003-11-01

Electrokinetic flow instability has been experimentally identified and quantified in a glass T-junction microchannel system with a cross section of 11 um x 155 um. In this system, buffers of different conductivities were electrokinetically driven into a common mixing channel by a DC electric field. A convective instability was observed with a threshold electric field of 0.45 kV/cm for a 10:1 conductivity ratio. A physical model has been developed which consists of a modified Ohmic model formulation for electrolyte solutions and the Navier-Stokes equations with an electric body force term. The model and experiments show that bulk charge accumulation in regions of conductivity gradients is the key mechanism of such instabilities. A linear stability analysis was performed in a convective framework, and Briggs-Bers criteria were applied to determine the nature of instability. The analysis shows the instability is governed by two key parameters: the ratio of molecular diffusion to electroviscous time scale which governs the onset of instability, and the ratio of electroviscous to electroosmotic velocity which governs whether the instability is convective or absolute. The model predicted critical electric field, growth rate, wavelength, and phase speed which were comparable to experimental data.

The effects of forced small-wavelength, finite-bandwidth initial perturbations and miscibility on the turbulent Rayleigh–Taylor instability

DOE PAGES

Roberts, M. S.; Jacobs, J. W.

2015-12-07

Rayleigh–Taylor instability experiments are performed using both immiscible and miscible incompressible liquid combinations having a relatively large Atwood number ofmore » $$A\\equiv ({\\it\\rho}_{2}-{\\it\\rho}_{1})/({\\it\\rho}_{2}+{\\it\\rho}_{1})=0.48$$. The liquid-filled tank is attached to a test sled that is accelerated downwards along a vertical rail system using a system of weights and pulleys producing approximately$1g$$net acceleration. The tank is backlit and images are digitally recorded using a high-speed video camera. The experiments are either initiated with forced initial perturbations or are left unforced. The forced experiments have an initial perturbation imposed by vertically oscillating the liquid-filled tank to produce Faraday waves at the interface. The unforced experiments rely on random interfacial fluctuations, resulting from background noise, to seed the instability. The main focus of this study is to determine the effects of forced initial perturbations and the effects of miscibility on the growth parameter,$${\\it\\alpha}$$. Measurements of the mixing-layer width,$$h$$, are acquired, from which$${\\it\\alpha}$$is determined. It is found that initial perturbations of the form used in this study do not affect measured$${\\it\\alpha}$$values. However, miscibility is observed to strongly affect$${\\it\\alpha}$$, resulting in a factor of two reduction in its value, a finding not previously observed in past experiments. In addition, all measured$${\\it\\alpha}$values are found to be smaller than those obtained in previous experimental studies.« less

Pattern formation and mass transfer under stationary solutal Marangoni instability.

PubMed

Schwarzenberger, Karin; Köllner, Thomas; Linde, Hartmut; Boeck, Thomas; Odenbach, Stefan; Eckert, Kerstin

2014-04-01

According to the seminal theory by Sternling and Scriven, solutal Marangoni convection during mass transfer of surface-active solutes may occur as either oscillatory or stationary instability. With strong support of Manuel G. Velarde, a combined initiative of experimental works, in particular to mention those of Linde, Wierschem and coworkers, and theory has enabled a classification of dominant wave types of the oscillatory mode and their interactions. In this way a rather comprehensive understanding of the nonlinear evolution of the oscillatory instability could be achieved. A comparably advanced state-of-the-art with respect to the stationary counterpart seemed to be out of reach a short time ago. Recent developments on both the numerical and experimental side, in combination with assessing an extensive number of older experiments, now allow one to draw a more unified picture. By reviewing these works, we show that three main building blocks exist during the nonlinear evolution: roll cells, relaxation oscillations and relaxation oscillations waves. What is frequently called interfacial turbulence results from the interaction between these partly coexisting basic patterns which may additionally occur in different hierarchy levels. The second focus of this review lies on the practical importance of such convection patterns concerning their influence on mass transfer characteristics. Particular attention is paid here to the interaction between Marangoni and buoyancy effects which frequently complicates the pattern formation even more. To shed more light on these dependencies, new simulations regarding the limiting case of stabilizing density stratification and vanishing buoyancy are incorporated. Copyright © 2013 Elsevier B.V. All rights reserved.

Dynamical instabilities in axisymmetric stellar systems. I - Oblate E6 models

NASA Technical Reports Server (NTRS)

Levison, Harold F.; Duncan, Martin J.; Smith, Bruce F.

1990-01-01

The stability of a set of models based on isothermal oblate E6 elliptical galaxies is studied using N-body techniques. The only stable models are those that are near the isotropic model and have nearly equal number of stars in retrograde and prograde orbits. Fast rotators are unstable to modes that appear to be analogous to the classical streaming instability seen in many disk systems. Systems with a large velocity dispersion in the direction of the cylindrical radius are unstable to modes that appear to be similar to the radial orbit instability observed in some spherical systems. However, evidence is presented that these two instabilities may be related, and an instability criterion that applies to both is constructed.

Interfacial Tension and Surface Pressure of High Density Lipoprotein, Low Density Lipoprotein, and Related Lipid Droplets

PubMed Central

Ollila, O. H. Samuli; Lamberg, Antti; Lehtivaara, Maria; Koivuniemi, Artturi; Vattulainen, Ilpo

2012-01-01

Lipid droplets play a central role in energy storage and metabolism on a cellular scale. Their core is comprised of hydrophobic lipids covered by a surface region consisting of amphiphilic lipids and proteins. For example, high and low density lipoproteins (HDL and LDL, respectively) are essentially lipid droplets surrounded by specific proteins, their main function being to transport cholesterol. Interfacial tension and surface pressure of these particles are of great interest because they are related to the shape and the stability of the droplets and to protein adsorption at the interface. Here we use coarse-grained molecular-dynamics simulations to consider a number of related issues by calculating the interfacial tension in protein-free lipid droplets, and in HDL and LDL particles mimicking physiological conditions. First, our results suggest that the curvature dependence of interfacial tension becomes significant for particles with a radius of ∼5 nm, when the area per molecule in the surface region is <1.4 nm2. Further, interfacial tensions in the used HDL and LDL models are essentially unaffected by single apo-proteins at the surface. Finally, interfacial tensions of lipoproteins are higher than in thermodynamically stable droplets, suggesting that HDL and LDL are kinetically trapped into a metastable state. PMID:22995496

Enhancement of the Mechanical Properties of Basalt Fiber-Wood-Plastic Composites via Maleic Anhydride Grafted High-Density Polyethylene (MAPE) Addition.

PubMed

Chen, Jinxiang; Wang, Yong; Gu, Chenglong; Liu, Jianxun; Liu, Yufu; Li, Min; Lu, Yun

2013-06-18

This study investigated the mechanisms, using microscopy and strength testing approaches, by which the addition of maleic anhydride grafted high-density polyethylene (MAPE) enhances the mechanical properties of basalt fiber-wood-plastic composites (BF-WPCs). The maximum values of the specific tensile and flexural strengths are achieved at a MAPE content of 5%-8%. The elongation increases rapidly at first and then continues slowly. The nearly complete integration of the wood fiber with the high-density polyethylene upon MAPE addition to WPC is examined, and two models of interfacial behavior are proposed. We examined the physical significance of both interfacial models and their ability to accurately describe the effects of MAPE addition. The mechanism of formation of the Model I interface and the integrated matrix is outlined based on the chemical reactions that may occur between the various components as a result of hydrogen bond formation or based on the principle of compatibility, resulting from similar polarity. The Model I fracture occurred on the outer surface of the interfacial layer, visually demonstrating the compatibilization effect of MAPE addition.

Simultaneous determination of interfacial energy and growth activation energy from induction time measurements

NASA Astrophysics Data System (ADS)

Shiau, Lie-Ding; Wang, Hsu-Pei

2016-05-01

A model is developed in this work to calculate the interfacial energy and growth activation energy of a crystallized substance from induction time data without the knowledge of the actual growth rate. Induction time data for αL-glutamic acid measured with a turbidity probe for various supersaturations at temperatures from 293 to 313 K are employed to verify the developed model. In the model a simple empirical growth rate with growth order 2 is assumed because experiments are conducted at low supersaturation. The results indicate for αL-glutamic acid that the growth activation energy is 39 kJ/mol, which suggests that the growth rate of small nuclei in the agitated induction time experiments is integration controlled. The interfacial energy obtained from the current model is in the range of 5.2-7.4 mJ/m2, which is slightly greater than that obtained from the traditional method (ti-1∝J) for which the value is in the range 4.1-5.7 mJ/m2.

Interfacial Area Development in Two-Phase Fluid Flow: Transient vs. Quasi-Static Flow Conditions

NASA Astrophysics Data System (ADS)

Meisenheimer, D. E.; Wildenschild, D.

2017-12-01

Fluid-fluid interfaces are important in multiphase flow systems in the environment (e.g. groundwater remediation, geologic CO2 sequestration) and industry (e.g. air stripping, fuel cells). Interfacial area controls mass transfer, and therefore reaction efficiency, between the different phases in these systems but they also influence fluid flow processes. There is a need to better understand this relationship between interfacial area and fluid flow processes so that more robust theories and models can be built for engineers and policy makers to improve the efficacy of many multiphase flow systems important to society. Two-phase flow experiments were performed in glass bead packs under transient and quasi-static flow conditions. Specific interfacial area was calculated from 3D images of the porous media obtained using the fast x-ray microtomography capability at the Advanced Photon Source. We present data suggesting a direct relationship between the transient nature of the fluid-flow experiment (fewer equilibrium points) and increased specific interfacial area. The effect of flow condition on Euler characteristic (a representative measure of fluid topology) will also be presented.

Exchange bias mediated by interfacial nanoparticles (invited)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Berkowitz, A. E., E-mail: aberk@ucsd.edu; Center for Magnetic Recording Research, University of California, California 92093; Sinha, S. K.

2015-05-07

The objective of this study on the iconic exchange-bias bilayer Permalloy/CoO has been to identify those elements of the interfacial microstructure and accompanying magnetic properties that are responsible for the exchange-bias and hysteretic properties of this bilayer. Both epitaxial and polycrystalline samples were examined. X-ray and neutron reflectometry established that there existed an interfacial region, of width ∼1 nm, whose magnetic properties differed from those of Py or CoO. A model was developed for the interfacial microstructure that predicts all the relevant properties of this system; namely; the temperature and Permalloy thickness dependence of the exchange-bias, H{sub EX}, and coercivity, H{submore » C}; the much smaller measured values of H{sub EX} from what was nominally expected; the different behavior of H{sub EX} and H{sub C} in epitaxial and polycrystalline bilayers. A surprising result is that the exchange-bias does not involve direct exchange-coupling between Permalloy and CoO, but rather is mediated by CoFe{sub 2}O{sub 4} nanoparticles in the interfacial region.« less

Saw-tooth instability in storage rings: simulations and dynamical model

NASA Astrophysics Data System (ADS)

Migliorati, M.; Palumbo, L.; Dattoli, G.; Mezi, L.

1999-11-01

The saw-tooth instability in storage rings is studied by means of a time-domain simulation code which takes into account the self-induced wake fields. The results are compared with those from a dynamical heuristic model exploiting two coupled non-linear differential equations, accounting for the time behavior of the instability growth rate and for the anomalous growth of the energy spread. This model is shown to reproduce the characteristic features of the instability in a fairly satisfactory way.

Instability in interacting dark sector: an appropriate holographic Ricci dark energy model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herrera, Ramón; Hipólito-Ricaldi, W.S.; Videla, Nelson, E-mail: ramon.herrera@pucv.cl, E-mail: wiliam.ricaldi@ufes.br, E-mail: nelson.videla@ing.uchile.cl

In this paper we investigate the consequences of phantom crossing considering the perturbative dynamics in models with interaction in their dark sector. By mean of a general study of gauge-invariant variables in comoving gauge, we relate the sources of instabilities in the structure formation process with the phantom crossing. In order to illustrate these relations and its consequences in more detail, we consider a specific case of an holographic dark energy interacting with dark matter. We find that in spite of the model is in excellent agreement with observational data at background level, however it is plagued of instabilities inmore » its perturbative dynamics. We reconstruct the model in order to avoid these undesirable instabilities, and we show that this implies a modification of the concordance model at background. Also we find drastic changes on the parameters space in our model when instabilities are avoided.« less

Hydrophobic interaction and charge accumulation at the diamond-electrolyte interface.

PubMed

Dankerl, M; Lippert, A; Birner, S; Stützel, E U; Stutzmann, M; Garrido, J A

2011-05-13

The hydrophobic interaction of surfaces with water is a well-known phenomenon, but experimental evidence of its influence on biosensor devices has been lacking. In this work we investigate diamond field-effect devices, reporting on Hall effect experiments and complementary simulations of the interfacial potential at the hydrogen-terminated diamond/aqueous electrolyte interface. The interfacial capacitance, derived from the gate-dependent Hall carrier concentration, can be modeled only when considering the hydrophobic nature of this surface and its influence on the structure of interfacial water. Our work demonstrates how profoundly the performance of potentiometric biosensor devices can be affected by their surfaces' hydrophobicity.

An algorithm for simulating fracture of cohesive-frictional materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nukala, Phani K; Sampath, Rahul S; Barai, Pallab

Fracture of disordered frictional granular materials is dominated by interfacial failure response that is characterized by de-cohesion followed by frictional sliding response. To capture such an interfacial failure response, we introduce a cohesive-friction random fuse model (CFRFM), wherein the cohesive response of the interface is represented by a linear stress-strain response until a failure threshold, which is then followed by a constant response at a threshold lower than the initial failure threshold to represent the interfacial frictional sliding mechanism. This paper presents an efficient algorithm for simulating fracture of such disordered frictional granular materials using the CFRFM. We note that,more » when applied to perfectly plastic disordered materials, our algorithm is both theoretically and numerically equivalent to the traditional tangent algorithm (Roux and Hansen 1992 J. Physique II 2 1007) used for such simulations. However, the algorithm is general and is capable of modeling discontinuous interfacial response. Our numerical simulations using the algorithm indicate that the local and global roughness exponents ({zeta}{sub loc} and {zeta}, respectively) of the fracture surface are equal to each other, and the two-dimensional crack roughness exponent is estimated to be {zeta}{sub loc} = {zeta} = 0.69 {+-} 0.03.« less

Electric Field Induced Interfacial Instabilities

NASA Technical Reports Server (NTRS)

Kusner, Robert E.; Min, Kyung Yang; Wu, Xiao-lun; Onuki, Akira

1999-01-01

The study of the interface in a charge-free, critical and near-critical binary fluid in the presence of an externally applied electric field is presented. At sufficiently large fields, the interface between the two phases of the binary fluid should become unstable and exhibit an undulation with a predefined wavelength on the order of the capillary length. As the critical point is approached, this wavelength is reduced, potentially approaching length-scales such as the correlation length or critical nucleation radius. At this point the critical properties of the system may be affected. In this paper, the flat interface of a marginally polar binary fluid mixture is stressed by a perpendicular alternating electric field and the resulting instability is characterized by the critical electric field E(sub c) and the pattern observed. The character of the surface dynamics at the onset of instability is found to be strongly dependent on the frequency f of the field applied. The plot of E(sub c) vs. f for a fixed temperature shows a sigmoidal shape, whose low and high frequency limits are well described by a power-law relationship, E(sub c) = epsilon(exp zeta) with zeta = 0.35 and zeta = 0.08, respectively. The low-limit exponent compares well with the value zeta = 4 for a system of conducting and non-conducting fluids. On the other hand, the high-limit exponent coincides with what was first predicted by Onuki. The instability manifests itself as the conducting phase penetrates the non-conducting phase. As the frequency increases, the shape of the pattern changes from an array of bifurcating strings to an array of column-like (or rod-like) protrusions, each of which spans the space between the plane interface and one of the electrodes. For an extremely high frequency, the disturbance quickly grows into a parabolic cone pointing toward the upper plate. As a result, the interface itself changes its shape from that of a plane to that of a high sloping pyramid.

Interfacial welding of dynamic covalent network polymers

NASA Astrophysics Data System (ADS)

Yu, Kai; Shi, Qian; Li, Hao; Jabour, John; Yang, Hua; Dunn, Martin L.; Wang, Tiejun; Qi, H. Jerry

2016-09-01

Dynamic covalent network (or covalent adaptable network) polymers can rearrange their macromolecular chain network by bond exchange reactions (BERs) where an active unit replaces a unit in an existing bond to form a new bond. Such macromolecular events, when they occur in large amounts, can attribute to unusual properties that are not seen in conventional covalent network polymers, such as shape reforming and surface welding; the latter further enables the important attributes of material malleability and powder-based reprocessing. In this paper, a multiscale modeling framework is developed to study the surface welding of thermally induced dynamic covalent network polymers. At the macromolecular network level, a lattice model is developed to describe the chain density evolution across the interface and its connection to bulk stress relaxation due to BERs. The chain density evolution rule is then fed into a continuum level interfacial model that takes into account surface roughness and applied pressure to predict the effective elastic modulus and interfacial fracture energy of welded polymers. The model yields particularly accessible results where the moduli and interfacial strength of the welded samples as a function of temperature and pressure can be predicted with four parameters, three of which can be measured directly. The model identifies the dependency of surface welding efficiency on the applied thermal and mechanical fields: the pressure will affect the real contact area under the consideration of surface roughness of dynamic covalent network polymers; the chain density increment on the real contact area of interface is only dependent on the welding time and temperature. The modeling approach shows good agreement with experiments and can be extended to other types of dynamic covalent network polymers using different stimuli for BERs, such as light and moisture etc.

Interfacial free energy governs single polystyrene chain collapse in water and aqueous solutions.

PubMed

Li, Isaac T S; Walker, Gilbert C

2010-05-12

The hydrophobic interaction is significantly responsible for driving protein folding and self-assembly. To understand it, the thermodynamics, the role of water structure, the dewetting process surrounding hydrophobes, and related aspects have undergone extensive investigations. Here, we examine the hypothesis that polymer-solvent interfacial free energy is adequate to describe the energetics of the collapse of a hydrophobic homopolymer chain at fixed temperature, which serves as a much simplified model for studying the hydrophobic collapse of a protein. This implies that changes in polymer-solvent interfacial free energy should be directly proportional to the force to extend a collapsed polymer into a bad solvent. To test this hypothesis, we undertook single-molecule force spectroscopy on a collapsed, single, polystyrene chain in water-ethanol and water-salt mixtures where we measured the monomer solvation free energy from an ensemble average conformations. Different proportions within the binary mixture were used to create solvents with different interfacial free energies with polystyrene. In these mixed solvents, we observed a linear correlation between the interfacial free energy and the force required to extend the chain into solution, which is a direct measure of the solvation free energy per monomer on a single chain at room temperature. A simple analytical model compares favorably with the experimental results. This knowledge supports a common assumption that explicit water solvent may not be necessary for cases whose primary concerns are hydrophobic interactions and hydrophobic hydration.

Micro-mechanics modelling of smart materials

NASA Astrophysics Data System (ADS)

Shah, Syed Asim Ali

Metal Matrix ceramic-reinforced composites are rapidly becoming strong candidates as structural materials for many high temperature and engineering applications. Metal matrix composites (MMC) combine the ductile properties of the matrix with a brittle phase of the reinforcement, leading to high stiffness and strength with a reduction in structural weight. The main objective of using a metal matrix composite system is to increase service temperature or improve specific mechanical properties of structural components by replacing existing super alloys.The purpose of the study is to investigate, develop and implement second phase reinforcement alloy strengthening empirical model with SiCp reinforced A359 aluminium alloy composites on the particle-matrix interface and the overall mechanical properties of the material.To predict the interfacial fracture strength of aluminium, in the presence of silicon segregation, an empirical model has been modified. This model considers the interfacial energy caused by segregation of impurities at the interface and uses Griffith crack type arguments to predict the formation energies of impurities at the interface. Based on this, model simulations were conducted at nano scale specifically at the interface and the interfacial strengthening behaviour of reinforced aluminium alloy system was expressed in terms of elastic modulus.The numerical model shows success in making prediction possible of trends in relation to segregation and interfacial fracture strength behaviour in SiC particle-reinforced aluminium matrix composites. The simulation models using various micro scale modelling techniques to the aluminum alloy matrix composite, strengthenedwith varying amounts of silicon carbide particulate were done to predict the material state at critical points with properties of Al-SiC which had been heat treated.In this study an algorithm is developed to model a hard ceramic particle in a soft matrix with a clear distinct interface and a strain based relationship has been proposed for the strengthening behaviour of the MMC at the interface rather than stress based, by successfully completing the numerical modelling of particulate reinforced metal matrix composites.

Effect of Substrate Compliance on Measuring Delamination Properties of Elastic Thin Foil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, C.

Through the analysis of a model problem, a thin elastic plate bonded to an elastic foundation, we address several issues related to the miniature bulge test for measuring the energy-release rate associated with the interfacial fracture of a bimaterial system, where one of the constituents is a thin foil. These issues include the effect of the substrate compliance on the interpretation of the energy release rate, interfacial strength, and the identification of the boundary of the deforming bulge or the location of the interfacial crack front. The analysis done also suggests a way for measuring the so-called foundation modulus, whichmore » characterizes the property of the substrate. An experimental example, a stainless steel thin foil bonded to an aluminum substrate through hot-isostatic-pressing (HIP), is used to illustrate and highlight some of the conclusions of the model analysis.« less

Interface-Controlled Conductive Fibers for Wearable Strain Sensors and Stretchable Conducting Wires.

PubMed

Cao, Zherui; Wang, Ranran; He, Tengyu; Xu, Fangfang; Sun, Jing

2018-04-25

As an important subfield of flexible electronics, conductive fibers have been an active area of research. The interfacial interaction between nanostructured conductive materials with elastic substrates plays a vital role in the electromechanical performance of conductive fibers. However, the underlying mechanism has seldom been investigated. Here, we propose a fabricating strategy for a silver nanowire (Ag NW)/polyurethane composite fiber with a sheath-core architecture. The interfacial bonding layer is regulated, and its influence on the performance of conductive fibers is investigated, based on which an interfacial interaction model is proposed. The model underlines the significance of the embedding depth of the Ag NW network. Both supersensitive (gauge factor up to 9557) and ultrastable (negligible conductance degradation below the strain of 150%) conductive fibers are obtained via interface regulating, exhibiting great potential in the applications of wearable sensors and stretchable conducting connections.

Effect of Substrate Compliance on Measuring Delamination Properties of Elastic Thin Foil

DOE PAGES

Liu, C.

2018-03-20

Through the analysis of a model problem, a thin elastic plate bonded to an elastic foundation, we address several issues related to the miniature bulge test for measuring the energy-release rate associated with the interfacial fracture of a bimaterial system, where one of the constituents is a thin foil. These issues include the effect of the substrate compliance on the interpretation of the energy release rate, interfacial strength, and the identification of the boundary of the deforming bulge or the location of the interfacial crack front. The analysis done also suggests a way for measuring the so-called foundation modulus, whichmore » characterizes the property of the substrate. An experimental example, a stainless steel thin foil bonded to an aluminum substrate through hot-isostatic-pressing (HIP), is used to illustrate and highlight some of the conclusions of the model analysis.« less

A polymerized C60 coating enhancing interfacial stability at three-dimensional LiCoO2 in high-potential regime

NASA Astrophysics Data System (ADS)

Hudaya, Chairul; Halim, Martin; Pröll, Johannes; Besser, Heino; Choi, Wonchang; Pfleging, Wilhelm; Seifert, Hans Jürgen; Lee, Joong Kee

2015-12-01

The interfacial instabilities, including side reactions due to electrolyte decompositions and Cobalt (Co) dissolutions, are the main detrimental processes at LiCoO2 cathode when a high-voltage window (>4.2 V) is applied. Nevertheless, cycling the cathode with a voltage above 4.2 V would deliver an increased gravimetric capacity, which is desired for high power battery operation. To address these drawbacks, we demonstrate a synergistic approach by manufacturing the three-dimensional high-temperature LiCoO2 electrodes (3D HT-LCO) using laser-microstructuring, laser-annealing and subsequent coating with polymerized C60 thin films (C60@3D HT-LCO) by plasma-assisted thermal evaporation. The C60@3D HT-LCO cathode delivers higher initial discharge capacity compared to its theoretical value, i.e. 175 mA h g-1 at 0.1 C with cut-off voltage of 3.0-4.5 V. This cathode combines the advantages of the 3D electrode architecture and an advanced C60 coating/passivation concept leading to an improved electrochemical performance, due to an increased active surface area, a decreased charge transfer resistance, a prevented Co dissolution into the electrolyte and a suppressed side reaction and electrolyte decomposition. This work provides a novel solution for other cathode materials having similar concerns in high potential regimes for application in lithium-ion microbatteries.

Investigation on the interface between Li10GeP2S12 electrolyte and carbon conductive agents in all-solid-state lithium battery.

PubMed

Yoon, Kyungho; Kim, Jung-Joon; Seong, Won Mo; Lee, Myeong Hwan; Kang, Kisuk

2018-05-23

All-solid-state batteries are considered as one of the attractive alternatives to conventional lithium-ion batteries, due to their intrinsic safe properties benefiting from the use of non-flammable solid electrolytes in ASSBs. However, one of the issues in employing the solid-state electrolyte is the sluggish ion transport kinetics arising from the chemical and physical instability of the interfaces among solid components including electrode material, electrolyte and additive agents. In this work, we investigate the stability of the interface between carbon conductive agents and Li 10 GeP 2 S 12 in a composite cathode and its effect on the electrochemical performance of ASSBs. It is found that the inclusion of various carbon conductive agents in composite cathode leads to inferior kinetic performance of the cathode despite expectedly enhanced electrical conductivity of the composite. We observe that the poor kinetic performance is attributed to a large interfacial impedance which is gradually developed upon the inclusions of the various carbon conductive agents regardless of their physical differences. The analysis through X-ray Photoelectron Spectroscopy suggests that the carbon additives in the composite cathode stimulate the electrochemical decomposition of LGPS electrolyte degrading its surface during cycling, indicating the large interfacial resistance stems from the undesirable decomposition of the electrolyte at the interface.

Frictional ageing from interfacial bonding and the origins of rate and state friction.

PubMed

Li, Qunyang; Tullis, Terry E; Goldsby, David; Carpick, Robert W

2011-11-30

Earthquakes have long been recognized as being the result of stick-slip frictional instabilities. Over the past few decades, laboratory studies of rock friction have elucidated many aspects of tectonic fault zone processes and earthquake phenomena. Typically, the static friction of rocks grows logarithmically with time when they are held in stationary contact, but the mechanism responsible for this strengthening is not understood. This time-dependent increase of frictional strength, or frictional ageing, is one manifestation of the 'evolution effect' in rate and state friction theory. A prevailing view is that the time dependence of rock friction results from increases in contact area caused by creep of contacting asperities. Here we present the results of atomic force microscopy experiments that instead show that frictional ageing arises from the formation of interfacial chemical bonds, and the large magnitude of ageing at the nanometre scale is quantitatively consistent with what is required to explain observations in macroscopic rock friction experiments. The relative magnitude of the evolution effect compared with that of the 'direct effect'--the dependence of friction on instantaneous changes in slip velocity--determine whether unstable slip, leading to earthquakes, is possible. Understanding the mechanism underlying the evolution effect would enable us to formulate physically based frictional constitutive laws, rather than the current empirically based 'laws', allowing more confident extrapolation to natural faults.

Instability-driven interfacial dynamo in protoneutron stars

NASA Astrophysics Data System (ADS)

Mastrano, A.; Melatos, A.

2011-10-01

The existence of a tachocline in the Sun has been proven by helioseismology. It is unknown whether a similar shear layer, widely regarded as the seat of magnetic dynamo action, also exists in a protoneutron star. Sudden jumps in magnetic diffusivity η and turbulent vorticity α, for example at the interface between the neutron-finger and convective zones, are known to be capable of enhancing mean-field dynamo effects in a protoneutron star. Here, we apply the well-known, plane-parallel, MacGregor-Charbonneau analysis of the solar interfacial dynamo to the protoneutron star problem and analytically calculate the growth rate under a range of conditions. It is shown that, like the solar dynamo, it is impossible to achieve self-sustained growth if the discontinuities in α, η and shear are coincident and the magnetic diffusivity is isotropic. In contrast, when the jumps in η and α are situated away from the shear layer, self-sustained growth is possible for P≲ 49.8 ms (if the velocity shear is located at 0.3R) or P≲ 83.6 ms (if the velocity shear is located at 0.6R). This translates into stronger shear and/or α-effect than in the Sun. Self-sustained growth is also possible if the magnetic diffusivity is anisotropic, through the Ω×J effect, even when the α, η and shear discontinuities are coincident.

Biomimetic Interfacial Electron-Induced Electrochemiluminesence.

PubMed

Pu, Guiqiang; Zhang, Dongxu; Mao, Xiang; Zhang, Zhen; Wang, Huan; Ning, Xingming; Lu, Xiaoquan

2018-04-17

We provide here, for the first time, a new interfacial electron-induced electrochemiluminescence (IEIECL) system, realizing bionic construction of bioluminescence (BL) by exploiting electrochemiluminescence (ECL) and ITIES (the interface between two immiscible electrolyte solutions). Significantly, the superiority of the IEIECL system is embodied with the solution of the two bottlenecks encountered in the conventional ECL innovation: that are (a) the applications of hydrophobic luminophores in more commonly used aqueous solution are inhibited tremendously due to the poor inherent solubility and the instability of radicals and (b) the analytes, insoluble in water, are hard to be discovered in an aqueous system because of too little content. More productive IEIECL radiation, analogous to BL, originates from the triplet excited state porphyrin in comparison to the homogeneous ECL. The mechanism of IEIECL, as well as the interaction mechanism between IEIECL and charge transfer (comprising electron transfer (ET), ion transfer (IT), and facilitated ion transfer (FIT)) at the ITIES, are explored in detail. Finally, we emphasize the actual application potential of the IEIECL system with the detection of cytochrome c (Cyt c); it is a key biomolecule in the electron transport chain in the process of biological oxidation and is also an intermediate species in apoptosis. Potentially, the IEIECL system permits ones to explore the lifetime and diffusion path of free radicals, as well as imparting a possibility for the construction of a bionic sensor.

Taylor instability in rhyolite lava flows

NASA Technical Reports Server (NTRS)

Baum, B. A.; Krantz, W. B.; Fink, J. H.; Dickinson, R. E.

1989-01-01

A refined Taylor instability model is developed to describe the surface morphology of rhyolite lava flows. The effect of the downslope flow of the lava on the structures resulting from the Taylor instability mechanism is considered. Squire's (1933) transformation is developed for this flow in order to extend the results to three-dimensional modes. This permits assessing why ridges thought to arise from the Taylor instability mechanism are preferentially oriented transverse to the direction of lava flow. Measured diapir and ridge spacings for the Little and Big Glass Mountain rhyolite flows in northern California are used in conjunction with the model in order to explore the implications of the Taylor instability for flow emplacement. The model suggests additional lava flow features that can be measured in order to test whether the Taylor instability mechanism has influenced the flows surface morphology.

Droplet impact on deep liquid pools: Rayleigh jet to formation of secondary droplets

NASA Astrophysics Data System (ADS)

Castillo-Orozco, Eduardo; Davanlou, Ashkan; Choudhury, Pretam K.; Kumar, Ranganathan

2015-11-01

The impact of droplets on a deep pool has applications in cleaning up oil spills, spray cooling, painting, inkjet printing, and forensic analysis, relying on the changes in properties such as viscosity, interfacial tension, and density. Despite the exhaustive research on different aspects of droplet impact, it is not clear how liquid properties can affect the instabilities leading to Rayleigh jet breakup and number of daughter drops formed after its pinch-off. In this article, through systematic experiments we investigate the droplet impact phenomena by varying viscosity and surface tension of liquids as well as impact speeds. Further, using numerical simulations, we show that Rayleigh-Plateau instability is influenced by these parameters, and capillary time scale is the appropriate scale to normalize the breakup time. Based on Ohnesorge number (Oh) and impact Weber number (We), a regime map for no breakup, Rayleigh jet breakup, and crown splash is suggested. Interestingly, crown splash is observed to occur at all Ohnesorge numbers; however, at high Oh, a large portion of kinetic energy is dissipated, and thus the Rayleigh jet is suppressed regardless of high impact velocity. The normalized required time for the Rayleigh jet to reach its peak varies linearly with the critical height of the jet.

Computational modeling and simulation of spall fracture in polycrystalline solids by an atomistic-based interfacial zone model

PubMed Central

Lin, Liqiang; Zeng, Xiaowei

2015-01-01

The focus of this work is to investigate spall fracture in polycrystalline materials under high-speed impact loading by using an atomistic-based interfacial zone model. We illustrate that for polycrystalline materials, increases in the potential energy ratio between grain boundaries and grains could cause a fracture transition from intergranular to transgranular mode. We also found out that the spall strength increases when there is a fracture transition from intergranular to transgranular. In addition, analysis of grain size, crystal lattice orientation and impact speed reveals that the spall strength increases as grain size or impact speed increases. PMID:26435546

A combined molecular dynamics/micromechanics/finite element approach for multiscale constitutive modeling of nanocomposites with interface effects

NASA Astrophysics Data System (ADS)

Yang, B. J.; Shin, H.; Lee, H. K.; Kim, H.

2013-12-01

We introduce a multiscale framework based on molecular dynamic (MD) simulation, micromechanics, and finite element method (FEM). A micromechanical model, which considers influences of the interface properties, nanoparticle (NP) size, and microcracks, is developed. Then, we perform MD simulations to characterize the mechanical properties of the nanocomposite system (silica/nylon 6) with varying volume fraction and size of NPs. By comparing the MD with micromechanics results, intrinsic physical properties at interfacial region are derived. Finally, we implement the developed model in the FEM code with the derived interfacial parameters, and predict the mechanical behavior of the nanocomposite at the macroscopic scale.

Phase-Transfer Energetics of Small-Molecule Alcohols Across the Water-Hexane Interface: Molecular Dynamics Simulation Using Charge Equilibration Models

PubMed Central

Bauer, Brad A.; Zhong, Yang; Meninger, David J.; Davis, Joseph E.; Patel, Sandeep

2010-01-01

We study the water-hexane interface using molecular dynamics (MD) and polarizable charge equilibration (CHEQ) force fields. Bulk densities for TIP4P-FQ water and hexane, 1.0086±0.0002 g/cm3 and 0.6378±0.0001 g/cm3, demonstrate excellent agreement with experiment. Interfacial width and interfacial tension are consistent with previously reported values. The in-plane component of the dielectric permittivity (ε∥) for water is shown to decrease from 81.7±0.04 to unity, transitioning longitudinally from bulk water to bulk hexane. ε∥ for hexane reaches a maximum in the interface, but this term represents only a small contribution to the total dielectric constant (as expected for a non-polar species). Structurally, net orientations of the molecules arise in the interfacial region such that hexane lies slightly parallel to the interface and water reorients to maximize hydrogen bonding. Interfacial potentials due to contributions of the water and hexane are calculated to be -567.9±0.13mV and 198.7±0.01mV, respectively, giving rise to a total potential in agreement with the range of values reported from previous simulations of similar systems. Potentials of mean force (PMF) calculated for methanol, ethanol, and 1-propanol for the transfer from water to hexane indicate an interfacial free energy minimum, corresponding to the amphiphilic nature of the molecules. The magnitudes of transfer free energies were further characterized from the solvation free energies of alcohols in water and hexane using thermodynamic integration. This analysis shows that solvation free energies for alcohols in hexane are 0.2-0.3 kcal/mol too unfavorable, whereas solvation of alcohols in water is approximately 1 kcal/mol too favorable. For the pure hexane-water interfacial simulations, we observe a monotonic decrease of the water dipole moment to near-vacuum values. This suggests that the electrostatic component of the desolvation free energy is not as severe for polarizable models than for fixed-charge force fields. The implications of such behavior pertain to the modeling of polar and charged solutes in lipidic environments. PMID:21414823

Lattice Boltzmann methods for global linear instability analysis

NASA Astrophysics Data System (ADS)

Pérez, José Miguel; Aguilar, Alfonso; Theofilis, Vassilis

2017-12-01

Modal global linear instability analysis is performed using, for the first time ever, the lattice Boltzmann method (LBM) to analyze incompressible flows with two and three inhomogeneous spatial directions. Four linearization models have been implemented in order to recover the linearized Navier-Stokes equations in the incompressible limit. Two of those models employ the single relaxation time and have been proposed previously in the literature as linearization of the collision operator of the lattice Boltzmann equation. Two additional models are derived herein for the first time by linearizing the local equilibrium probability distribution function. Instability analysis results are obtained in three benchmark problems, two in closed geometries and one in open flow, namely the square and cubic lid-driven cavity flow and flow in the wake of the circular cylinder. Comparisons with results delivered by classic spectral element methods verify the accuracy of the proposed new methodologies and point potential limitations particular to the LBM approach. The known issue of appearance of numerical instabilities when the SRT model is used in direct numerical simulations employing the LBM is shown to be reflected in a spurious global eigenmode when the SRT model is used in the instability analysis. Although this mode is absent in the multiple relaxation times model, other spurious instabilities can also arise and are documented herein. Areas of potential improvements in order to make the proposed methodology competitive with established approaches for global instability analysis are discussed.

Protein adsorption at charged surfaces: the role of electrostatic interactions and interfacial charge regulation.

PubMed

Hartvig, Rune A; van de Weert, Marco; Østergaard, Jesper; Jorgensen, Lene; Jensen, Henrik

2011-03-15

The understanding of protein adsorption at charged surfaces is important for a wide range of scientific disciplines including surface engineering, separation sciences and pharmaceutical sciences. Compared to chemical entities having a permanent charge, the adsorption of small ampholytes and proteins is more complicated as the pH near a charged surface can be significantly different from the value in bulk solution. In this work, we have developed a phenomenological adsorption model which takes into account the combined role of interfacial ion distribution, interfacial charge regulation of amino acids in the proximity of the surface, electroneutrality, and mass balance. The model is straightforward to apply to a given set of experimental conditions as most model parameters are obtained from bulk properties and therefore easy to estimate or are directly measurable. The model provides a detailed understanding of the importance of surface charge on adsorption and in particular of how changes in surface charge, concentration, and surface area may affect adsorption behavior. The model is successfully used to explain the experimental adsorption behavior of the two model proteins lysozyme and α-lactalbumin. It is demonstrated that it is possible to predict the pH and surface charge dependent adsorption behavior from experimental or theoretical estimates of a preferred orientation of a protein at a solid charged interface.

Interfacial area transport of steam-water two-phase flow in a vertical annulus at elevated pressures

NASA Astrophysics Data System (ADS)

Ozar, Basar

Analysis of accident scenarios in nuclear reactors are done by using codes such as TRACE and RELAP5. Large oscillations in the core void fraction are observed in calculations of advanced passive light water reactors (ALWRs), especially during the low pressure long-term cooling phase. These oscillations are attributed to be numerical in nature and served to limit the accuracy as well as the credibility of the calculations. One of the root causes of these unphysical oscillations is determined to be flow regime transitions caused by the usage of static flow regime maps. The interfacial area transport equation was proposed earlier in order to address these issues. Previous research successfully developed the foundation of the interfacial area transport equation and the experimental techniques needed for the measurement of interfacial area, bubble diameters and velocities. In the past, an extensive database has been then generated for adiabatic air-water conditions in vertical upward and downward bubbly-churn turbulent flows in pipes. Using this database, mechanistic models for the creation (bubble breakup) and destruction (bubble coalescence) of interfacial area have been developed for the bubblyslug flow regime transition. However, none of these studies investigated the effect of phase change. To address this need, a heated annular test section was designed and constructed. The design relied on a three level scaling approach: geometric scaling; hydrodynamic scaling; thermal scaling. The test section consisted of a heated and unheated section in order to study the sub-cooled boiling and bulk condensation/flashing and evaporation phenomena, respectively. Steam-water two-phase flow tests were conducted under sub-cooled boiling conditions in the heated section and with sub-cooled/super-heated bulk liquid in the unheated section. The modeling of interfacial area transport equation with phase change effects was introduced and discussed. Constitutive relations, which took phase change effects into account, for interfacial area transport equation were proposed and implemented. Effects of these constitutive relations on the prediction capability of the transport equation were discussed.

Growth morphology of CL-20/HMX cocrystal explosive: insights from solvent behavior under different temperatures.

PubMed

Han, Gang; Li, Qi-Fa; Gou, Rui-Jun; Zhang, Shu-Hai; Ren, Fu-de; Wang, Li; Guan, Rong

2017-11-28

A 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) /1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX)-isopropanol (IPA) interfacial model was constructed to investigate the effect of temperature on cocrystal morphology. A constant volume and temperature molecular dynamics (NVT-MD) simulation was performed on the interfacial model at various temperatures (295-355 K, 20 K intervals). The surface electrostatic potential (ESP) of the CL-20/HMX cocrystal structure and IPA molecule were studied by the B3LYP method at 6-311++G (d, p) level. The surface energies, polarities, adsorption energy, mass density distribution, radial distribution function (RDF), mean square displacement (MSD) and relative changes of attachment energy were analyzed. The results show that polarities of (1 0 0) and (0 1 1) cocrystal surfaces may be more negative and affected by IPA solvent. The adsorption energy per area indicates that growth of the (1 0-2) face in IPA conditions may be more limited, while the (1 0 0) face tends to grow more freely. MSD and diffusion coefficient (D) analyses demonstrated that IPA molecules gather more easily on the cocrystal surface at lower temperatures, and hence have a larger effect on the growth of cocrystal faces. RDF analysis shows that, with the increasing of temperature, the strength of hydrogen bond interactions between cocrystal and solvent becomes stronger, being highest at 335 K for the (1 0 0) and (0 1 1) interfacial models. Results of relative changes of modified attachment energy show that (1 0 0) and (0 1 1) faces tends to be larger than other faces. Moreover, the predicted morphologies at 295 and 355 K are consistent with experimental values, proving that the CL-20/HMX-IPA interfacial model is a reasonable one for this study. Graphical Abstract Construction of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) /1,3,5,7-tetranitro-1,3,5,7-tetrazacyclooctane (HMX)-isopropanol (IPA) interfacial model, analysis, and morphology prediction of cocrystal.

An Investigation of Interfacial Fatigue in Fiber Reinforced Composites

NASA Astrophysics Data System (ADS)

Yanhua, Chen; Zhifei, Shi

2005-09-01

Based on the shear-lag model and the modified degradation formula for coefficient of friction, the interfacial fatigue and debonding for fiber reinforced composites under cyclic loading are studied. The loading condition is chosen as the kind that is the most frequently used in fiber-pull-out experiments. The stress components in the debonded and bonded regions are obtained according to the maximum and minimum applied loading. By the aid of theory of fracture mechanics and Paris formula, the governing equation is solved numerically and the interfacial debonding is simulated. The relationships between the parameters (such as the debond rate, debond length, debond force) and the number of cycles are obtained.

Transport limited interfacial carrier relaxation in a double-layer device investigated by time-resolved second harmonic generation and impedance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Le; Taguchi, Dai; Li, Jun; Manaka, Takaaki; Iwamoto, Mitsumasa

2011-02-01

The interfacial carrier relaxation in an indium tin oxide/polyimide/pentacene/Au double-layer device was studied in both time and frequency domains by using time-resolved second harmonic generation (TR-SHG) and impedance spectroscopy (IS), respectively. Although both hole and electron injection into the pentacene layer and their accumulation at the pentacene/polyimide interface were revealed in TR-SHG, it was only observed in IS under the hole injection condition. The "contradiction" between the two methods for the same carrier relaxation process was explained on the basis of a model, transport limited interfacial carrier relaxation, in which the quasistatic state governs the one-directional carrier transport.

Discretized modeling of beads-on-a-string morphology from electrically driven, conducting, and viscoelastic polymer jets

NASA Astrophysics Data System (ADS)

Divvela, Mounica Jyothi; Joo, Yong Lak

2017-04-01

In this paper, we provide a theoretical investigation of axisymmetric instabilities observed during electrospinning, which lead to beads-on-a-string morphology. We used a discretized method to model the instability phenomena observed in the jet. We considered the fluid to be analogous to a bead-spring model. The motion of these beads is governed by the electrical, viscoelastic, surface tension, aerodynamic drag, and gravitational forces. The bead is perturbed at the nozzle, and the growth of the instability is observed over time, and along the length of the jet. We considered both lower electrical conducting polyisobutylene (PIB)-based Boger fluids and highly electrical conducting, polyethylene oxide (PEO)/water systems. In PIB fluids, the onset of the axisymmetric instability is predominantly based on the capillary mode, and the growth rate of the instability is decreased with the viscoelasticity of the jet. However, in the PEO/water system, the instability is electrically driven, and a significant increase in the growth rate of the instability is observed with the increase in the voltage. Our predictions from the discretized model are in good agreement with the previous linear stability analysis and experimental results. Our results also revealed the non-stationary behavior of the disturbance, where the amplitude of the perturbation is observed to be oscillating. Furthermore, we showed that the discretized model is also used to observe the non-axisymmetric behavior of the jet, which can be further used to study the bending instability in electrospinning.

Laboratory and numerical investigations of kinetic interface sensitive tracers transport for immiscible two-phase flow porous media systems

NASA Astrophysics Data System (ADS)

Tatomir, Alexandru Bogdan A. C.; Sauter, Martin

2017-04-01

A number of theoretical approaches estimating the interfacial area between two fluid phases are available (Schaffer et al.,2013). Kinetic interface sensitive (KIS) tracers are used to describe the evolution of fluid-fluid interfaces advancing in two phase porous media systems (Tatomir et al., 2015). Initially developed to offer answers about the supercritical (sc)CO2 plume movement and the efficiency of trapping in geological carbon storage reservoirs, KIS tracers are tested in dynamic controlled laboratory conditions. N-octane and water, analogue to a scCO2 - brine system, are used. The KIS tracer is dissolved in n-octane, which is injected as the non-wetting phase in a fully water saturated porous media column. The porous system is made up of spherical glass beads with sizes of 100-250 μm. Subsequently, the KIS tracer follows a hydrolysis reaction over the n-octane - water interface resulting in an acid and phenol which are both water soluble. The fluid-fluid interfacial area is described numerically with the help of constitutive-relationships derived from the Brooks-Corey model. The specific interfacial area is determined numerically from pore scale calculations, or from different literature sources making use of pore network model calculations (Joekar-Niasar et al., 2008). This research describes the design of the laboratory setup and compares the break-through curves obtained with the forward model and in the laboratory experiment. Furthermore, first results are shown in the attempt to validate the immiscible two phase flow reactive transport numerical model with dynamic laboratory column experiments. Keywords: Fluid-fluid interfacial area, KIS tracers, model validation, CCS, geological storage of CO2

Crystalline ZrTiO{sub 4} gated p-metal–oxide–semiconductor field effect transistors with sub-nm equivalent oxide thickness featuring good electrical characteristics and reliability

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Chao-Yi; Hsieh, Ching-Heng; Lee, Ching-Wei

2015-02-02

ZrTiO{sub 4} crystallized in orthorhombic (o-) phase was stacked with an amorphous Yb{sub 2}O{sub 3} interfacial layer as the gate dielectric for Si-based p-MOSFETs. With thermal annealing after gate electrode, the gate stack with equivalent oxide thickness (EOT) of 0.82 nm achieves high dielectric quality by showing a low interface trap density (D{sub it}) of 2.75 × 10{sup 11 }cm{sup −2}eV{sup −1} near the midgap and low oxide traps. Crystallization of ZrTiO{sub 4} and post metal annealing are also proven to introduce very limited amount of metal induced gap states or interfacial dipole. The p-MOSFETs exhibit good sub-threshold swing of 75 mV/dec which is ascribedmore » to the low D{sub it} value and small EOT. Owing to the Y{sub 2}O{sub 3} interfacial layer and smooth interface with Si substrate that, respectively, suppress phonon and surface roughness scattering, the p-MOSFETs also display high hole mobility of 49 cm{sup 2}/V-s at 1 MV/cm. In addition, I{sub on}/I{sub off} ratio larger than 10{sup 6} is also observed. From the reliability evaluation by negative bias temperature instability test, after stressing with an electric field of −10 MV/cm at 85 °C for 1000 s, satisfactory threshold voltage shift of 12 mV and sub-threshold swing degradation of 3% were obtained. With these promising characteristics, the Yb{sub 2}O{sub 3}/o-ZrTiO{sub 4} gate stack holds the great potential for next-generation electronics.« less

Phase-field-based lattice Boltzmann model for incompressible binary fluid systems with density and viscosity contrasts.

PubMed

Zu, Y Q; He, S

2013-04-01

A lattice Boltzmann model (LBM) is proposed based on the phase-field theory to simulate incompressible binary fluids with density and viscosity contrasts. Unlike many existing diffuse interface models which are limited to density matched binary fluids, the proposed model is capable of dealing with binary fluids with moderate density ratios. A new strategy for projecting the phase field to the viscosity field is proposed on the basis of the continuity of viscosity flux. The new LBM utilizes two lattice Boltzmann equations (LBEs): one for the interface tracking and the other for solving the hydrodynamic properties. The LBE for interface tracking can recover the Chan-Hilliard equation without any additional terms; while the LBE for hydrodynamic properties can recover the exact form of the divergence-free incompressible Navier-Stokes equations avoiding spurious interfacial forces. A series of 2D and 3D benchmark tests have been conducted for validation, which include a rigid-body rotation, stationary and moving droplets, a spinodal decomposition, a buoyancy-driven bubbly flow, a layered Poiseuille flow, and the Rayleigh-Taylor instability. It is shown that the proposed method can track the interface with high accuracy and stability and can significantly and systematically reduce the parasitic current across the interface. Comparisons with momentum-based models indicate that the newly proposed velocity-based model can better satisfy the incompressible condition in the flow fields, and eliminate or reduce the velocity fluctuations in the higher-pressure-gradient region and, therefore, achieve a better numerical stability. In addition, the test of a layered Poiseuille flow demonstrates that the proposed scheme for mixture viscosity performs significantly better than the traditional mixture viscosity methods.

Interfacial Control of Ferromagnetism in Ultrathin La0.67Ca0.33MnO3 Sandwiched between CaRu1-xTixO3 (x = 0-0.8) Epilayers.

PubMed

Chen, Binbin; Chen, Pingfan; Xu, Haoran; Jin, Feng; Guo, Zhuang; Lan, Da; Wan, Siyuan; Gao, Guanyin; Chen, Feng; Wu, Wenbin

2016-12-21

Controlling functionalities in oxide heterostructures remains challenging for the rather complex interfacial interactions. Here, by modifying the interface properties with chemical doping, we achieve a nontrivial control over the ferromagnetism in ultrathin La 0.67 Ca 0.33 MnO 3 (LCMO) layer sandwiched between CaRu 1-x Ti x O 3 [CRTO(x)] epilayers. The Ti doping suppresses the interfacial electron transfer from CRTO(x) to LCMO side; as a result, a steadily decreased Curie temperature with increasing x, from 262 K at x = 0 to 186 K at x = 0.8, is observed for the structures with LCMO fixed at 3.2 nm. Moreover, for more insulating CRTO(x ≥ 0.5), the electron confinement induces an interfacial Mn-e g (x 2 -y 2 ) orbital order in LCMO which further attenuates the ferromagnetism. Also, in order to characterize the heterointerfaces, for the first time the doping- and thickness-dependent metal-insulator transitions in CRTO(x) films are examined. Our results demonstrate that the LCMO/CRTO(x) heterostructure could be a model system for investigating the interfacial multiple interactions in correlated oxides.

New insights into the Mo/Cu(In,Ga)Se2 interface in thin film solar cells: Formation and properties of the MoSe2 interfacial layer.

PubMed

Klinkert, T; Theys, B; Patriarche, G; Jubault, M; Donsanti, F; Guillemoles, J-F; Lincot, D

2016-10-21

Being at the origin of an ohmic contact, the MoSe 2 interfacial layer at the Mo/Cu(In,Ga)Se 2 interface in CIGS (Cu(In,Ga)Se 2 and related compounds) based solar cells has allowed for very high light-to-electricity conversion efficiencies up to 22.3%. This article gives new insights into the formation and the structural properties of this interfacial layer. Different selenization-steps of a Mo covered glass substrate prior to the CIGS deposition by co-evaporation led to MoSe 2 interfacial layers with varying thickness and orientation, as observed by x-ray diffraction and atomic resolution transmission electron microscopy. A novel model based on the anisotropy of the Se diffusion coefficient in MoSe 2 is proposed to explain the results. While the series resistance of finished CIGS solar cells is found to correlate with the MoSe 2 orientation, the adhesion forces between the CIGS absorber layer and the Mo substrate stay constant. Their counter-intuitive non-correlation with the configuration of the MoSe 2 interfacial layer is discussed and related to work from the literature.

Simulations of molecular self-assembled monolayers on surfaces: packing structures, formation processes and functions tuned by intermolecular and interfacial interactions.

PubMed

Wen, Jin; Li, Wei; Chen, Shuang; Ma, Jing

2016-08-17

Surfaces modified with a functional molecular monolayer are essential for the fabrication of nano-scale electronics or machines with novel physical, chemical, and/or biological properties. Theoretical simulation based on advanced quantum chemical and classical models is at present a necessary tool in the development, design, and understanding of the interfacial nanostructure. The nanoscale surface morphology, growth processes, and functions are controlled by not only the electronic structures (molecular energy levels, dipole moments, polarizabilities, and optical properties) of building units but also the subtle balance between intermolecular and interfacial interactions. The switchable surfaces are also constructed by introducing stimuli-responsive units like azobenzene derivatives. To bridge the gap between experiments and theoretical models, opportunities and challenges for future development of modelling of ferroelectricity, entropy, and chemical reactions of surface-supported monolayers are also addressed. Theoretical simulations will allow us to obtain important and detailed information about the structure and dynamics of monolayer modified interfaces, which will guide the rational design and optimization of dynamic interfaces to meet challenges of controlling optical, electrical, and biological functions.

Inelastic response of metal matrix composites under biaxial loading

NASA Technical Reports Server (NTRS)

Lissenden, C. J.; Mirzadeh, F.; Pindera, M.-J.; Herakovich, C. T.

1991-01-01

Theoretical predictions and experimental results were obtained for inelastic response of unidirectional and angle ply composite tubes subjected to axial and torsional loading. The composite material consist of silicon carbide fibers in a titanium alloy matrix. This material is known to be susceptible to fiber matrix interfacial damage. A method to distinguish between matrix yielding and fiber matrix interfacial damage is suggested. Biaxial tests were conducted on the two different layup configurations using an MTS Axial/Torsional load frame with a PC based data acquisition system. The experimentally determined elastic moduli of the SiC/Ti system are compared with those predicted by a micromechanics model. The test results indicate that fiber matrix interfacial damage occurs at relatively low load levels and is a local phenomenon. The micromechanics model used is the method of cells originally proposed by Aboudi. Finite element models using the ABACUS finite element program were used to study end effects and fixture specimen interactions. The results to date have shown good correlation between theory and experiment for response prior to damage initiation.

Enhancement of the Mechanical Properties of Basalt Fiber-Wood-Plastic Composites via Maleic Anhydride Grafted High-Density Polyethylene (MAPE) Addition

PubMed Central

Chen, Jinxiang; Wang, Yong; Gu, Chenglong; Liu, Jianxun; Liu, Yufu; Li, Min; Lu, Yun

2013-01-01

This study investigated the mechanisms, using microscopy and strength testing approaches, by which the addition of maleic anhydride grafted high-density polyethylene (MAPE) enhances the mechanical properties of basalt fiber-wood-plastic composites (BF-WPCs). The maximum values of the specific tensile and flexural strengths areachieved at a MAPE content of 5%–8%. The elongation increases rapidly at first and then continues slowly. The nearly complete integration of the wood fiber with the high-density polyethylene upon MAPE addition to WPC is examined, and two models of interfacial behavior are proposed. We examined the physical significance of both interfacial models and their ability to accurately describe the effects of MAPE addition. The mechanism of formation of the Model I interface and the integrated matrix is outlined based on the chemical reactions that may occur between the various components as a result of hydrogen bond formation or based on the principle of compatibility, resulting from similar polarity. The Model I fracture occurred on the outer surface of the interfacial layer, visually demonstrating the compatibilization effect of MAPE addition. PMID:28809285

Effects of rotation and magnetic field on the onset of convective instability in a liquid layer due to buoyancy and surface tension

NASA Technical Reports Server (NTRS)

Sarma, G. S. R.

1982-01-01

Thermocapillary stability characteristics of a horizontal liquid layer heated from below rotating about a vertical axis and subjected to a uniform vertical magnetic field are analyzed under a variety of thermal and electromagnetic boundary conditions. Results based on analytical solutions to the pertinent eigenvalue problems are discussed in the light of earlier work on special cases of the more general problem considered here to show in particular the effects of the heat transfer, nonzero curvature and gravity waves at the two-fluid interface. Although the expected stabilizing action of the Coriolis and Lorentz force fields in this configuration are in evidence the optimal choice of an appropriate range for the relevant parameters is shown to be critically dependent on the interfacial effects mentioned above.

Controlling Viscous Fingering Using Time-Dependent Strategies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stone, Howard; Zheng, Zhong; Kim, Hyoungsoo

Control and stabilization of viscous fingering of immiscible fluids impacts a wide variety of pressure-driven multiphase flows. Here, we report theoretical and experimental results on time-dependent control strategy by manipulating the gap thickness b(t) in a lifting Hele-Shaw cell in the power-law form b(t) = b 1t 1/7. Experimental results show good quantitative agreement with the predictions of linear stability analysis. Furthermore, by choosing the value of a single time-independent control parameter we can either totally suppress the viscous fingering instability or maintain a series of non-splitting viscous fingers during the fluid displacement process. Besides the gap thickness of amore » Hele-Shaw cell, in principle, time-dependent control strategies can also be placed on the injection rate, viscosity of the displaced fluid, and interfacial tensions between the two fluids.« less

Morphomechanics of bacterial biofilms undergoing anisotropic differential growth

NASA Astrophysics Data System (ADS)

Zhang, Cheng; Li, Bo; Huang, Xiao; Ni, Yong; Feng, Xi-Qiao

2016-10-01

Growing bacterial biofilms exhibit a number of surface morphologies, e.g., concentric wrinkles, radial ridges, and labyrinthine networks, depending on their physiological status and nutrient access. We explore the mechanisms underlying the emergence of these greatly different morphologies. Ginzburg-Landau kinetic method and Fourier spectral method are integrated to simulate the morphological evolution of bacterial biofilms. It is shown that the morphological instability of biofilms is triggered by the stresses induced by anisotropic and heterogeneous bacterial expansion, and involves the competition between membrane energy and bending energy. Local interfacial delamination further enriches the morphologies of biofilms. Phase diagrams are established to reveal how the anisotropy and spatial heterogeneity of growth modulate the surface patterns. The mechanics of three-dimensional microbial morphogenesis may also underpin self-organization in other development systems and provide a potential strategy for engineering microscopic structures from bacterial aggregates.

Controlling Viscous Fingering Using Time-Dependent Strategies

DOE PAGES

Stone, Howard; Zheng, Zhong; Kim, Hyoungsoo

2015-10-20

Control and stabilization of viscous fingering of immiscible fluids impacts a wide variety of pressure-driven multiphase flows. Here, we report theoretical and experimental results on time-dependent control strategy by manipulating the gap thickness b(t) in a lifting Hele-Shaw cell in the power-law form b(t) = b 1t 1/7. Experimental results show good quantitative agreement with the predictions of linear stability analysis. Furthermore, by choosing the value of a single time-independent control parameter we can either totally suppress the viscous fingering instability or maintain a series of non-splitting viscous fingers during the fluid displacement process. Besides the gap thickness of amore » Hele-Shaw cell, in principle, time-dependent control strategies can also be placed on the injection rate, viscosity of the displaced fluid, and interfacial tensions between the two fluids.« less

Origin of bias-stress induced instability in organic thin-film transistors with semiconducting small-molecule/insulating polymer blend channel.

PubMed

Park, Ji Hoon; Lee, Young Tack; Lee, Hee Sung; Lee, Jun Young; Lee, Kimoon; Lee, Gyu Baek; Han, Jiwon; Kim, Tae Woong; Im, Seongil

2013-03-13

The stabilities of a blending type organic thin-film transistor with phase-separated TIPS-pentacene channel layer were characterized under the conditions of negative-bias-stress (NBS) and positive-bias-stress (PBS). During NBS, threshold voltage (Vth) shifts noticeably. NBS-imposed devices revealed interfacial trap density-of-states (DOS) at 1.56 and 1.66 eV, whereas initial device showed the DOS at only 1.56 eV, as measured by photoexcited charge-collection spectroscopy (PECCS) method. Possible origin of this newly created defect is related to ester group in PMMA, which induces some hole traps at the TIPS-pentacene/i-PMMA interface. PBS-imposed device showed little Vth shift but visible off-current increase as "back-channel" effect, which is attributed to the water molecules trapped on the TFT surface.

Inducing rostrum interfacial waves by fluid-solid coupling in a Chinese river dolphin (Lipotes vexillifer )

NASA Astrophysics Data System (ADS)

Song, Zhongchang; Zhang, Yu; Wei, Chong; Wang, Xianyan

2016-01-01

Through numerically solving the appropriate wave equations, propagation of biosonar signals in a Chinese river dolphin (baiji) was studied. The interfacial waves along the rostrum-tissue interfaces, including both compressional (longitudinal) and shear (transverse) waves in the solid rostrum through fluid-solid coupling were examined. The baiji's rostrum was found to effect acoustic beam formation not only as an interfacial wave generator but also as a sound reflector. The wave propagation patterns in the solid rostrum were found to significantly change the wave movement through the bone. Vibrations in the rostrum, expressed in solid displacement, initially increased but eventually decreased from posterior to anterior sides, indicating a complex physical process. Furthermore, the comparisons among seven cases, including the combination of (1) the rostrum, melon, and air sacs; (2) rostrum-air sacs; (3) rostrum-melon; (4) only rostrum; (5) air sacs-melon; (6) only air sacs; and (7) only melon revealed that the cases including the rostrum were better able to approach the complete system by inducing rostrum-tissue interfacial waves and reducing the differences in main beam angle and -3 dB beam width. The interfacial waves in the rostrum were considered complementary with reflection to determine the obbligato role of the rostrum in the baiji's biosonar emission. The far-field beams formed from complete fluid-solid models and non-fluid-solid models were compared to reveal the effects brought by the consideration of shear waves of the solid structures of the baiji. The results may provide useful information for further understanding the role of the rostrum in this odontocete species.

Inducing rostrum interfacial waves by fluid-solid coupling in a Chinese river dolphin (Lipotesvexillifer).

PubMed

Song, Zhongchang; Zhang, Yu; Wei, Chong; Wang, Xianyan

2016-01-01

Through numerically solving the appropriate wave equations, propagation of biosonar signals in a Chinese river dolphin (baiji) was studied. The interfacial waves along the rostrum-tissue interfaces, including both compressional (longitudinal) and shear (transverse) waves in the solid rostrum through fluid-solid coupling were examined. The baiji's rostrum was found to effect acoustic beam formation not only as an interfacial wave generator but also as a sound reflector. The wave propagation patterns in the solid rostrum were found to significantly change the wave movement through the bone. Vibrations in the rostrum, expressed in solid displacement, initially increased but eventually decreased from posterior to anterior sides, indicating a complex physical process. Furthermore, the comparisons among seven cases, including the combination of (1) the rostrum, melon, and air sacs; (2) rostrum-air sacs; (3) rostrum-melon; (4) only rostrum; (5) air sacs-melon; (6) only air sacs; and (7) only melon revealed that the cases including the rostrum were better able to approach the complete system by inducing rostrum-tissue interfacial waves and reducing the differences in main beam angle and -3 dB beam width. The interfacial waves in the rostrum were considered complementary with reflection to determine the obbligato role of the rostrum in the baiji's biosonar emission. The far-field beams formed from complete fluid-solid models and non-fluid-solid models were compared to reveal the effects brought by the consideration of shear waves of the solid structures of the baiji. The results may provide useful information for further understanding the role of the rostrum in this odontocete species.

Verification of Methods for Assessing the Sustainability of Monitored Natural Attenuation (MNA)

DTIC Science & Technology

2013-01-01

surface CVOC chlorinated volatile organic compound DCE cis-1,2-Dichloroethylene DNAPL dense non-aqueous phase liquid DO dissolved oxygen DOC...considered detailed representations of aquifer heterogeneity, DNAPL distributions, and interfacial surface area. Thus, the upscaled SZD function considers...the effects of decreases in interfacial surface area with time as NAPL mass depletes, but not in an explicit manner. Likewise, the upscaled model is

Nonlinear Analytical Modeling of Interfacial Phenomenon and Nano-Size Microstructural Features to Better Correlate Nde Electronic Property Measurements to Material State

NASA Astrophysics Data System (ADS)

Roubidoux, J. A.; Jackson, J. E.; Lasseigne, A. N.; Mishra, B.; Olson, D. L.

2010-02-01

This paper correlates nonlinear material properties to nondestructive electronic measurements by using wave analysis techniques (e.g. Perturbation Methods) and incorporating higher-order phenomena. The correlations suggest that nondestructive electronic property measurements and practices can be used to assess thin films, surface layers, and other advanced materials that exhibit modified behaviors based on their space-charged interfacial behavior.

A primer on selecting grain boundary sets for comparison of interfacial fracture properties in molecular dynamics simulations

DOE PAGES

Dingreville, Remi; Aksoy, Doruk; Spearot, Douglas E.

2017-08-21

In this study, all grain boundaries are not equal in their predisposition for fracture due to the complex coupling between lattice geometry, interfacial structure, and mechanical properties. The ability to understand these relationships is crucial to engineer materials resilient to grain boundary fracture. Here, a methodology is presented to isolate the role of grain boundary structure on interfacial fracture properties, such as the tensile strength and work of separation, using atomistic simulations. Instead of constructing sets of grain boundary models within the misorientation/structure space by simply varying the misorientation angle around a fixed misorientation axis, the proposed method creates setsmore » of grain boundary models by means of isocurves associated with important fracture-related properties of the adjoining lattices. Such properties may include anisotropic elastic moduli, the Schmid factor for primary slip, and the propensity for simultaneous slip on multiple slip systems. This approach eliminates the effect of lattice properties from the comparative analysis of interfacial fracture properties and thus enables the identification of structure-property relationships for grain boundaries. As an example, this methodology is implemented to study crack propagation along Ni grain boundaries. Segregated H is used as a means to emphasize differences in the selected grain boundary structures while keeping lattice properties fixed.« less

EXPERIMENTAL INVESTIGATION OF RELATIVE PERMEABILITY UPSCALING FROM THE MICRO-SCALE TO THE MACRO-SCALE

DOE Office of Scientific and Technical Information (OSTI.GOV)

JiangTao Cheng; Ping Yu; William Headley

2001-12-01

The principal challenge of upscaling techniques for multi-phase fluid dynamics in porous media is to determine which properties on the micro-scale can be used to predict macroscopic flow and spatial distribution of phases at core- and field-scales. The most notable outcome of recent theories is the identification of interfacial areas per volume for multiple phases as a fundamental parameter that determines much of the multi-phase properties of the porous medium. A formal program of experimental research was begun to directly test upscaling theories in fluid flow through porous media by comparing measurements of relative permeability and capillary-saturation with measurements ofmore » interfacial area per volume. During this reporting period, we have shown experimentally and theoretically that the optical coherence imaging system is optimized for sandstone. The measurement of interfacial area per volume (IAV), capillary pressure and saturation in two dimensional micro-models structures that are statistically similar to real porous media has shown the existence of a unique relationship among these hydraulic parameters. The measurement of interfacial area per volume on a three-dimensional natural sample, i.e., sandstone, has the same length-scale as the values of IAV determined for the two-dimensional micro-models.« less

The Effect of Interface Roughness and Oxide Film Thickness on the Inelastic Response of Thermal Barrier Coatings to Thermal Cycling

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Aboudi, Jacob; Arnold, Steven M.

1999-01-01

The effects of interfacial roughness and oxide film thickness on thermally-induced stresses in plasma-sprayed thermal barrier coatings subjected to thermal cycling are investigated using the recently developed higher-order theory for functionally graded materials. The higher-order theory is shown to be a viable alternative to the finite-element approach, capable of modeling different interfacial roughness architectures in the presence of an aluminum oxide layer and capturing the high stress gradients that occur at the top coat/bond coat interface. The oxide layer thickness is demonstrated to have a substantially greater effect on the evolution of residual stresses than local variations in interfacial roughness. Further, the location of delamination initiation in the top coat is predicted to change with increasing oxide layer thickness. This result can be used to optimize the thickness of a pre-oxidized layer introduced at the top coat/bond coat interface in order to enhance TBC durability as suggested by some researchers. The results of our investigation also support a recently proposed hypothesis regarding delamination initiation and propagation in the presence of an evolving bond coat oxidation, while pointing to the importance of interfacial roughness details and specimen geometry in modeling this phenomenon.

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations

NASA Astrophysics Data System (ADS)

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; Otani, Minoru; Wood, Brandon C.

2015-03-01

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic "quantum capacitance" of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulating charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.

An Alternative Frictional Boundary Condition for Computational Fluid Dynamics Simulation of Friction Stir Welding

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Gaoqiang; Feng, Zhili; Zhu, Yucan

For better application of numerical simulation in optimization and design of friction stir welding (FSW), this paper presents a new frictional boundary condition at the tool/workpiece interface for computational fluid dynamics (CFD) modeling of FSW. The proposed boundary condition is based on an implementation of the Coulomb friction model. Using the new boundary condition, the CFD simulation yields non-uniform distribution of contact state over the tool/workpiece interface, as validated by the experimental weld macrostructure. It is found that interfacial sticking state is present over large area at the tool-workpiece interface, while significant interfacial sliding occurs at the shoulder periphery, themore » lower part of pin side, and the periphery of pin bottom. Due to the interfacial sticking, a rotating flow zone is found under the shoulder, in which fast circular motion occurs. The diameter of the rotating flow zone is smaller than the shoulder diameter, which is attributed to the presence of the interfacial sliding at the shoulder periphery. For the simulated welding condition, the heat generation due to friction and plastic deformation makes up 54.4 and 45.6% of the total heat generation rate, respectively. In conclusion, the simulated temperature field is validated by the good agreement to the experimental measurements.« less

A primer on selecting grain boundary sets for comparison of interfacial fracture properties in molecular dynamics simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dingreville, Remi; Aksoy, Doruk; Spearot, Douglas E.

In this study, all grain boundaries are not equal in their predisposition for fracture due to the complex coupling between lattice geometry, interfacial structure, and mechanical properties. The ability to understand these relationships is crucial to engineer materials resilient to grain boundary fracture. Here, a methodology is presented to isolate the role of grain boundary structure on interfacial fracture properties, such as the tensile strength and work of separation, using atomistic simulations. Instead of constructing sets of grain boundary models within the misorientation/structure space by simply varying the misorientation angle around a fixed misorientation axis, the proposed method creates setsmore » of grain boundary models by means of isocurves associated with important fracture-related properties of the adjoining lattices. Such properties may include anisotropic elastic moduli, the Schmid factor for primary slip, and the propensity for simultaneous slip on multiple slip systems. This approach eliminates the effect of lattice properties from the comparative analysis of interfacial fracture properties and thus enables the identification of structure-property relationships for grain boundaries. As an example, this methodology is implemented to study crack propagation along Ni grain boundaries. Segregated H is used as a means to emphasize differences in the selected grain boundary structures while keeping lattice properties fixed.« less

An Alternative Frictional Boundary Condition for Computational Fluid Dynamics Simulation of Friction Stir Welding

DOE PAGES

Chen, Gaoqiang; Feng, Zhili; Zhu, Yucan; ...

2016-07-11

For better application of numerical simulation in optimization and design of friction stir welding (FSW), this paper presents a new frictional boundary condition at the tool/workpiece interface for computational fluid dynamics (CFD) modeling of FSW. The proposed boundary condition is based on an implementation of the Coulomb friction model. Using the new boundary condition, the CFD simulation yields non-uniform distribution of contact state over the tool/workpiece interface, as validated by the experimental weld macrostructure. It is found that interfacial sticking state is present over large area at the tool-workpiece interface, while significant interfacial sliding occurs at the shoulder periphery, themore » lower part of pin side, and the periphery of pin bottom. Due to the interfacial sticking, a rotating flow zone is found under the shoulder, in which fast circular motion occurs. The diameter of the rotating flow zone is smaller than the shoulder diameter, which is attributed to the presence of the interfacial sliding at the shoulder periphery. For the simulated welding condition, the heat generation due to friction and plastic deformation makes up 54.4 and 45.6% of the total heat generation rate, respectively. In conclusion, the simulated temperature field is validated by the good agreement to the experimental measurements.« less

Interfacial reactions of ozone with surfactant protein B in a model lung surfactant system.

PubMed

Kim, Hugh I; Kim, Hyungjun; Shin, Young Shik; Beegle, Luther W; Jang, Seung Soon; Neidholdt, Evan L; Goddard, William A; Heath, James R; Kanik, Isik; Beauchamp, J L

2010-02-24

Oxidative stresses from irritants such as hydrogen peroxide and ozone (O(3)) can cause dysfunction of the pulmonary surfactant (PS) layer in the human lung, resulting in chronic diseases of the respiratory tract. For identification of structural changes of pulmonary surfactant protein B (SP-B) due to the heterogeneous reaction with O(3), field-induced droplet ionization (FIDI) mass spectrometry has been utilized. FIDI is a soft ionization method in which ions are extracted from the surface of microliter-volume droplets. We report structurally specific oxidative changes of SP-B(1-25) (a shortened version of human SP-B) at the air-liquid interface. We also present studies of the interfacial oxidation of SP-B(1-25) in a nonionizable 1-palmitoyl-2-oleoyl-sn-glycerol (POG) surfactant layer as a model PS system, where competitive oxidation of the two components is observed. Our results indicate that the heterogeneous reaction of SP-B(1-25) at the interface is quite different from that in the solution phase. In comparison with the nearly complete homogeneous oxidation of SP-B(1-25), only a subset of the amino acids known to react with ozone are oxidized by direct ozonolysis in the hydrophobic interfacial environment, both with and without the lipid surfactant layer. Combining these experimental observations with the results of molecular dynamics simulations provides an improved understanding of the interfacial structure and chemistry of a model lung surfactant system subjected to oxidative stress.

CFD Modeling of the Multipurpose Hydrogen Test Bed (MHTB) Self-Pressurization and Spray Bar Mixing Experiments in Normal Gravity: Effect of the Accommodation Coefficient on the Tank Pressure

NASA Technical Reports Server (NTRS)

Kartuzova, Olga; Kassemi, Mohammad

2015-01-01

A CFD model for simulating the self-pressurization of a large scale liquid hydrogen storage tank is utilized in this paper to model the MHTB self-pressurization experiment. The kinetics-based Schrage equation is used to account for the evaporative and condensi ng interfacial mass flows in this model. The effect of the accommodation coefficient for calculating the interfacial mass transfer rate on the tank pressure during tank selfpressurization is studied. The values of the accommodation coefficient which were considered in this study vary from 1.0e-3 to 1.0e-1 for the explicit VOF model and from 1.0e-4 to 1.0e-3 for the implicit VOF model. The ullage pressure evolutions are compared against experimental data. A CFD model for controlling pressure in cryogenic storage tanks by spraying cold liquid into the ullage is also presented. The Euler-Lagrange approach is utilized for tracking the spray droplets and for modeling the interaction between the droplets and the continuous phase (ullage). The spray model is coupled with the VOF model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. Droplet-ullage heat and mass transfer are modeled. The flow, temperature, and interfacial mass flux, as well as droplets trajectories, size distribution and temperatures predicted by the model are presented. The ul lage pressure and vapor temperature evolutions are compared with experimental data obtained from the MHTB spray bar mixing experiment. The effect of the accommodation coefficient for calculating the interfacial and droplet mass transfer rates on the tank pressure during mixing of the vapor using spray is studied. The values used for the accommodation coefficient at the interface vary from 1.0e-5 to 1.0e-2. The droplet accommodation coefficient values vary from 2.0e-6 to 1.0e-4.

Active Combustion Control for Aircraft Gas-Turbine Engines-Experimental Results for an Advanced, Low-Emissions Combustor Prototype

NASA Technical Reports Server (NTRS)

DeLaat, John C.; Kopasakis, George; Saus, Joseph R.; Chang, Clarence T.; Wey, Changlie

2012-01-01

Lean combustion concepts for aircraft engine combustors are prone to combustion instabilities. Mitigation of instabilities is an enabling technology for these low-emissions combustors. NASA Glenn Research Center s prior activity has demonstrated active control to suppress a high-frequency combustion instability in a combustor rig designed to emulate an actual aircraft engine instability experience with a conventional, rich-front-end combustor. The current effort is developing further understanding of the problem specifically as applied to future lean-burning, very low-emissions combustors. A prototype advanced, low-emissions aircraft engine combustor with a combustion instability has been identified and previous work has characterized the dynamic behavior of that combustor prototype. The combustor exhibits thermoacoustic instabilities that are related to increasing fuel flow and that potentially prevent full-power operation. A simplified, non-linear oscillator model and a more physics-based sectored 1-D dynamic model have been developed to capture the combustor prototype s instability behavior. Utilizing these models, the NASA Adaptive Sliding Phasor Average Control (ASPAC) instability control method has been updated for the low-emissions combustor prototype. Active combustion instability suppression using the ASPAC control method has been demonstrated experimentally with this combustor prototype in a NASA combustion test cell operating at engine pressures, temperatures, and flows. A high-frequency fuel valve was utilized to perturb the combustor fuel flow. Successful instability suppression was shown using a dynamic pressure sensor in the combustor for controller feedback. Instability control was also shown with a pressure feedback sensor in the lower temperature region upstream of the combustor. It was also demonstrated that the controller can prevent the instability from occurring while combustor operation was transitioning from a stable, low-power condition to a normally unstable high-power condition, thus enabling the high-power condition.

Understanding Transient Forcing with Plasma Instability Model, Ionospheric Propagation Model and GNSS Observations

NASA Astrophysics Data System (ADS)

Deshpande, K.; Zettergren, M. D.; Datta-Barua, S.

2017-12-01

Fluctuations in the Global Navigation Satellite Systems (GNSS) signals observed as amplitude and phase scintillations are produced by plasma density structures in the ionosphere. Phase scintillation events in particular occur due to structures at Fresnel scales, typically about 250 meters at ionospheric heights and GNSS frequency. Likely processes contributing to small-scale density structuring in auroral and polar regions include ionospheric gradient-drift instability (GDI) and Kelvin-Helmholtz instability (KHI), which result, generally, from magnetosphere-ionosphere interactions (e.g. reconnection) associated with cusp and auroral zone regions. Scintillation signals, ostensibly from either GDI or KHI, are frequently observed in the high latitude ionosphere and are potentially useful diagnostics of how energy from the transient forcing in the cusp or polar cap region cascades, via instabilities, to small scales. However, extracting quantitative details of instabilities leading to scintillation using GNSS data drastically benefits from both a model of the irregularities and a model of GNSS signal propagation through irregular media. This work uses a physics-based model of the generation of plasma density irregularities (GEMINI - Geospace Environment Model of Ion-Neutral Interactions) coupled to an ionospheric radio wave propagation model (SIGMA - Satellite-beacon Ionospheric-scintillation Global Model of the upper Atmosphere) to explore the cascade of density structures from medium to small (sub-kilometer) scales. Specifically, GEMINI-SIGMA is used to simulate expected scintillation from different instabilities during various stages of evolution to determine features of the scintillation that may be useful to studying ionospheric density structures. Furthermore we relate the instabilities producing GNSS scintillations to the transient space and time-dependent magnetospheric phenomena and further predict characteristics of scintillation in different geophysical situations. Finally we present initial comparison of our modeling results with GNSS scintillation observed via an array of receivers at Poker Flat.

Stability, intermittency and universal Thorpe length distribution in a laboratory turbulent stratified shear flow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Odier, Philippe; Ecke, Robert E.

Stratified shear flows occur in many geophysical contexts, from oceanic overflows and river estuaries to wind-driven thermocline layers. In this study, we explore a turbulent wall-bounded shear flow of lighter miscible fluid into a quiescent fluid of higher density with a range of Richardson numbersmore » $$0.05\\lesssim Ri\\lesssim 1$$. In order to find a stability parameter that allows close comparison with linear theory and with idealized experiments and numerics, we investigate different definitions of$Ri$$. We find that a gradient Richardson number defined on fluid interface sections where there is no overturning at or adjacent to the maximum density gradient position provides an excellent stability parameter, which captures the Miles–Howard linear stability criterion. For small $$Ri$$ the flow exhibits robust Kelvin–Helmholtz instability, whereas for larger $$Ri$$ interfacial overturning is more intermittent with less frequent Kelvin–Helmholtz events and emerging Holmboe wave instability consistent with a thicker velocity layer compared with the density layer. We compute the perturbed fraction of interface as a quantitative measure of the flow intermittency, which is approximately 1 for the smallest $$Ri$$ but decreases rapidly as $$Ri$ increases, consistent with linear theory. For the perturbed regions, we use the Thorpe scale to characterize the overturning properties of these flows. The probability distribution of the non-zero Thorpe length yields a universal exponential form, suggesting that much of the overturning results from increasingly intermittent Kelvin–Helmholtz instability events. Finally, the distribution of turbulent kinetic energy, conditioned on the intermittency fraction, has a similar form, suggesting an explanation for the universal scaling collapse of the Thorpe length distribution.« less

Stability, intermittency and universal Thorpe length distribution in a laboratory turbulent stratified shear flow

DOE PAGES

Odier, Philippe; Ecke, Robert E.

2017-02-21

Stratified shear flows occur in many geophysical contexts, from oceanic overflows and river estuaries to wind-driven thermocline layers. In this study, we explore a turbulent wall-bounded shear flow of lighter miscible fluid into a quiescent fluid of higher density with a range of Richardson numbersmore » $$0.05\\lesssim Ri\\lesssim 1$$. In order to find a stability parameter that allows close comparison with linear theory and with idealized experiments and numerics, we investigate different definitions of$Ri$$. We find that a gradient Richardson number defined on fluid interface sections where there is no overturning at or adjacent to the maximum density gradient position provides an excellent stability parameter, which captures the Miles–Howard linear stability criterion. For small $$Ri$$ the flow exhibits robust Kelvin–Helmholtz instability, whereas for larger $$Ri$$ interfacial overturning is more intermittent with less frequent Kelvin–Helmholtz events and emerging Holmboe wave instability consistent with a thicker velocity layer compared with the density layer. We compute the perturbed fraction of interface as a quantitative measure of the flow intermittency, which is approximately 1 for the smallest $$Ri$$ but decreases rapidly as $$Ri$ increases, consistent with linear theory. For the perturbed regions, we use the Thorpe scale to characterize the overturning properties of these flows. The probability distribution of the non-zero Thorpe length yields a universal exponential form, suggesting that much of the overturning results from increasingly intermittent Kelvin–Helmholtz instability events. Finally, the distribution of turbulent kinetic energy, conditioned on the intermittency fraction, has a similar form, suggesting an explanation for the universal scaling collapse of the Thorpe length distribution.« less

Sectorial oscillation of acoustically levitated nanoparticle-coated droplet

NASA Astrophysics Data System (ADS)

Zang, Duyang; Chen, Zhen; Geng, Xingguo

2016-01-01

We have investigated the dynamics of a third mode sectorial oscillation of nanoparticle-coated droplets using acoustic levitation in combination with active modulation. The presence of nanoparticles at the droplet surface changes its oscillation amplitude and frequency. A model linking the interfacial rheology and oscillation dynamics has been proposed in which the compression modulus ɛ of the particle layer is introduced into the analysis. The ɛ obtained with the model is in good agreement with that obtained by the Wilhelmy plate approach, highlighting the important role of interfacial rheological properties in the sectorial oscillation of droplets.

A numeric investigation of co-flowing liquid streams using the Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Somogyi, Andy; Tagg, Randall

2007-11-01

We present a numerical investigation of co-flowing immiscible liquid streams using the Lattice Boltzmann Method (LBM) for multi component, dissimilar viscosity, immiscible fluid flow. When a liquid is injected into another immiscible liquid, the flow will eventually transition from jetting to dripping due to interfacial tension. Our implementation of LBM models the interfacial tension through a variety of techniques. Parallelization is also straightforward for both single and multi component models as only near local interaction is required. We compare the results of our numerical investigation using LBM to several recent physical experiments.

Measurements of interfacial thermal contact conductance between pressed alloys at low temperatures

NASA Astrophysics Data System (ADS)

Zheng, Jiang; Li, Yanzhong; Chen, Pengwei; Yin, Geyuan; Luo, Huaihua

2016-12-01

Interfacial thermal contact conductance is the primary factor limiting the heat transfer in many cryogenic engineering applications. This paper presents an experimental apparatus to measure interfacial thermal contact conductance between pressed alloys in a vacuum environment at low temperatures. The measurements of thermal contact conductance between pressed alloys are conducted by using the developed apparatus. The results show that the contact conductance increases with the decrease of surface roughness, the increase of interface temperature and contact pressure. The temperature dependence of thermal conductivity and mechanical properties is analyzed to explain the results. Thermal contact conductance of a pair of stainless steel specimens is obtained in the interface temperature range of 135-245 K and in the contact pressure range of 1-9 MPa. The results are regressed as a power function of temperature and load. Thermal conductance is also obtained between aluminums as well as between stainless steel and aluminum. The load exponents of the regressed relations for different contacts are compared. Existing theoretical models (the Cooper-Mikic-Yovanovich plastic model, the Mikic elastic model and the improved Kimura model) are reviewed and compared with the experimental results. The Cooper-Mikic-Yovanovich model predictions are found to be in good agreement with experimental results, especially with measurements between aluminums.

Self-Pressurization and Spray Cooling Simulations of the Multipurpose Hydrogen Test Bed (MHTB) Ground-Based Experiment

NASA Technical Reports Server (NTRS)

Kartuzova, O.; Kassemi, M.; Agui, J.; Moder, J.

2014-01-01

This paper presents a CFD (computational fluid dynamics) model for simulating the self-pressurization of a large scale liquid hydrogen storage tank. In this model, the kinetics-based Schrage equation is used to account for the evaporative and condensing interfacial mass flows. Laminar and turbulent approaches to modeling natural convection in the tank and heat and mass transfer at the interface are compared. The flow, temperature, and interfacial mass fluxes predicted by these two approaches during tank self-pressurization are compared against each other. The ullage pressure and vapor temperature evolutions are also compared against experimental data obtained from the MHTB (Multipuprpose Hydrogen Test Bed) self-pressurization experiment. A CFD model for cooling cryogenic storage tanks by spraying cold liquid in the ullage is also presented. The Euler- Lagrange approach is utilized for tracking the spray droplets and for modeling interaction between the droplets and the continuous phase (ullage). The spray model is coupled with the VOF (volume of fluid) model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. Droplet ullage heat and mass transfer are modeled. The flow, temperature, and interfacial mass flux predicted by the model are presented. The ullage pressure is compared with experimental data obtained from the MHTB spray bar mixing experiment. The results of the models with only droplet/ullage heat transfer and with heat and mass transfer between the droplets and ullage are compared.

Modeling of the interfacial separation work in relation to impurity concentration in adjoining materials

NASA Astrophysics Data System (ADS)

Alekseev, Ilia M.; Makhviladze, Tariel M.; Minushev, Airat Kh.; Sarychev, Mikhail E.

2009-10-01

On the basis of the general thermodynamic approach developed in a model describing the influence of point defects on the separation work at an interface of solid materials is developed. The kinetic equations describing the defect exchange between the interface and the material bulks are formulated. The model have been applied to the case when joined materials contain such point defects as impurity atoms (interstitial and substitutional), concretized the main characteristic parameters required for a numerical modeling as well as clarified their domains of variability. The results of the numerical modeling concerning the dependences on impurity concentrations and the temperature dependences are obtained and analyzed. Particularly, the effects of interfacial strengthening and adhesion incompatibility predicted analytically for the case of impurity atoms are verified and analyzed.

Modeling of the interfacial separation work in relation to impurity concentration in adjoining materials

NASA Astrophysics Data System (ADS)

Alekseev, Ilia M.; Makhviladze, Tariel M.; Minushev, Airat Kh.; Sarychev, Mikhail E.

2010-02-01

On the basis of the general thermodynamic approach developed in a model describing the influence of point defects on the separation work at an interface of solid materials is developed. The kinetic equations describing the defect exchange between the interface and the material bulks are formulated. The model have been applied to the case when joined materials contain such point defects as impurity atoms (interstitial and substitutional), concretized the main characteristic parameters required for a numerical modeling as well as clarified their domains of variability. The results of the numerical modeling concerning the dependences on impurity concentrations and the temperature dependences are obtained and analyzed. Particularly, the effects of interfacial strengthening and adhesion incompatibility predicted analytically for the case of impurity atoms are verified and analyzed.

Mood instability as a precursor to depressive illness: A prospective and mediational analysis.

PubMed

Marwaha, Steven; Balbuena, Lloyd; Winsper, Catherine; Bowen, Rudy

2015-06-01

Mood instability levels are high in depression, but temporal precedence and potential mechanisms are unknown. Hypotheses tested were as follows: (1) mood instability is associated with depression cross-sectionally, (2) mood instability predicts new onset and maintenance of depression prospectively and (3) the mood instability and depression link are mediated by sleep problems, alcohol abuse and life events. Data from the National Psychiatric Morbidity Survey 2000 at baseline (N = 8580) and 18-month follow-up (N = 2413) were used. Regression modeling controlling for socio-demographic factors, anxiety and hypomanic mood was conducted. Multiple mediational analyses were used to test our conceptual path model. Mood instability was associated with depression cross-sectionally (odds ratio: 5.28; 95% confidence interval: [3.67, 7.59]; p < 0.001) and predicted depression inception (odds ratio: 2.43; 95% confidence interval: [1.03-5.76]; p = 0.042) after controlling for important confounders. Mood instability did not predict maintenance of depression. Sleep difficulties and severe problems with close friends and family significantly mediated the link between mood instability and new onset depression (23.05% and 6.19% of the link, respectively). Alcohol abuse and divorce were not important mediators in the model. Mood instability is a precursor of a depressive episode, predicting its onset. Difficulties in sleep are a significant part of the pathway. Interventions targeting mood instability and sleep problems have the potential to reduce the risk of depression. © The Royal Australian and New Zealand College of Psychiatrists 2015.

Taming interfacial electronic properties of platinum nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Wenshuai; Wu, Zili; Foo, Guo Shiou

Taming interfacial electronic effects on Pt nanoparticles modulated by their concomitants has emerged as an intriguing approach to optimize Pt catalytic performance. Here, we report Pt nanoparticles assembled on vacancy-abundant hexagonal boron nitride nanosheets and their use as a model catalyst to embrace an interfacial electronic effect on Pt induced by the nanosheets with N-vacancies and B-vacancies for superior CO oxidation catalysis. Experimental results indicate that strong interaction exists between Pt and the vacancies. Bader charge analysis shows that with Pt on B-vacancies, the nanosheets serve as a Lewis acid to accept electrons from Pt, and on the contrary, whenmore » Pt sits on N-vacancies, the nanosheets act as a Lewis base for donating electrons to Pt. The overall-electronic effect demonstrates an electron-rich feature of Pt after assembling on hexagonal boron nitride nanosheets. Such an interfacial electronic effect makes Pt favour the adsorption of O 2, alleviating CO poisoning and promoting the catalysis.« less

Taming interfacial electronic properties of platinum nanoparticles on vacancy-abundant boron nitride nanosheets for enhanced catalysis

DOE PAGES

Zhu, Wenshuai; Wu, Zili; Foo, Guo Shiou; ...

2017-06-09

Taming interfacial electronic effects on Pt nanoparticles modulated by their concomitants has emerged as an intriguing approach to optimize Pt catalytic performance. Here, we report Pt nanoparticles assembled on vacancy-abundant hexagonal boron nitride nanosheets and their use as a model catalyst to embrace an interfacial electronic effect on Pt induced by the nanosheets with N-vacancies and B-vacancies for superior CO oxidation catalysis. Experimental results indicate that strong interaction exists between Pt and the vacancies. Bader charge analysis shows that with Pt on B-vacancies, the nanosheets serve as a Lewis acid to accept electrons from Pt, and on the contrary, whenmore » Pt sits on N-vacancies, the nanosheets act as a Lewis base for donating electrons to Pt. The overall-electronic effect demonstrates an electron-rich feature of Pt after assembling on hexagonal boron nitride nanosheets. Such an interfacial electronic effect makes Pt favour the adsorption of O 2, alleviating CO poisoning and promoting the catalysis.« less

Interfacial interaction between the epoxidized natural rubber and silica in natural rubber/silica composites

NASA Astrophysics Data System (ADS)

Xu, Tiwen; Jia, Zhixin; Luo, Yuanfang; Jia, Demin; Peng, Zheng

2015-02-01

The epoxidized natural rubber (ENR) as an interfacial modifier was used to improve the mechanical and dynamical mechanical properties of NR/silica composites. In order to reveal the interaction mechanism between ENR and silica, the ENR/Silica model compound was prepared by using an open mill and the interfacial interaction of ENR with silica was investigated by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), X-ray diffraction (XRD) and stress-strain testing. The results indicated that the ring-opening reaction occurs between the epoxy groups of ENR chains and Si-OH groups on the silica surfaces and the covalent bonds are formed between two phases, which can improve the dispersion of silica in the rubber matrix and enhance the interfacial combination between rubber and silica. The ring-opening reaction occurs not only in vulcanization process but also in mixing process, meanwhile, the latter seems to be more important due to the simultaneous effects of mechanical force and temperature.

The mode 3 crack problem in bonded materials with a nonhomogeneous interfacial zone

NASA Technical Reports Server (NTRS)

Erdogan, Fazil; Kaya, A. C.; Joseph, P. F.

1988-01-01

The mode 3 crack problem for two bonded homogeneous half planes was considered. The interfacial zone was modelled by a nonhomogeneous strip in such a way that the shear modulus is a continuous function throughout the composite medium and has discontinuous derivatives along the boundaries of the interfacial zone. The problem was formulated for cracks perpendicular to the nominal interface and was solved for various crack locations in and around the interfacial region. The asymptotic stress field near the tip of a crack terminating at an interface was examined and it was shown that, unlike the corresponding stress field in piecewise homogeneous materials, in this case the stresses have the standard square root singularity and their angular variation was identical to that of a crack in a homogeneous medium. With application to the subcritical crack growth process in mind, the results given include mostly the stress intensity factors for some typical crack geometries and various material combinations.

The mode III crack problem in bonded materials with a nonhomogeneous interfacial zone

NASA Technical Reports Server (NTRS)

Erdogan, F.; Joseph, P. F.; Kaya, A. C.

1991-01-01

The mode 3 crack problem for two bonded homogeneous half planes was considered. The interfacial zone was modelled by a nonhomogeneous strip in such a way that the shear modulus is a continuous function throughout the composite medium and has discontinuous derivatives along the boundaries of the interfacial zone. The problem was formulated for cracks perpendicular to the nominal interface and was solved for various crack locations in and around the interfacial region. The asymptotic stress field near the tip of a crack terminating at an interface was examined and it was shown that, unlike the corresponding stress field in piecewise homogeneous materials, in this case the stresses have the standard square root singularity and their angular variation was identical to that of a crack in a homogeneous medium. With application to the subcritical crack growth process in mind, the results given include mostly the stress intensity factors for some typical crack geometries and various material combinations.

Metal/oxide interfacial effects on the selective oxidation of primary alcohols

PubMed Central

Zhao, Guofeng; Yang, Fan; Chen, Zongjia; Liu, Qingfei; Ji, Yongjun; Zhang, Yi; Niu, Zhiqiang; Mao, Junjie; Bao, Xinhe; Hu, Peijun; Li, Yadong

2017-01-01

A main obstacle in the rational development of heterogeneous catalysts is the difficulty in identifying active sites. Here we show metal/oxide interfacial sites are highly active for the oxidation of benzyl alcohol and other industrially important primary alcohols on a range of metals and oxides combinations. Scanning tunnelling microscopy together with density functional theory calculations on FeO/Pt(111) reveals that benzyl alcohol enriches preferentially at the oxygen-terminated FeO/Pt(111) interface and undergoes readily O–H and C–H dissociations with the aid of interfacial oxygen, which is also validated in the model study of Cu2O/Ag(111). We demonstrate that the interfacial effects are independent of metal or oxide sizes and the way by which the interfaces were constructed. It inspires us to inversely support nano-oxides on micro-metals to make the structure more stable against sintering while the number of active sites is not sacrificed. The catalyst lifetime, by taking the inverse design, is thereby significantly prolonged. PMID:28098146

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Bin, E-mail: huangbin@nwpu.edu.cn; Li, Maohua; Chen, Yanxia

The interfacial reactions of continuous SiC fiber reinforced Ti-6Al-4V matrix composite (SiC{sub f}/Ti-6Al-4V composite) and continuous SiC fiber coated by C reinforced Ti-6Al-4V matrix composite (SiC{sub f}/C/Ti-6Al-4V composite) were investigated by using micro-beam electron diffraction (MBED) and energy disperse spectroscopy (EDS) on transmission electron microscopy (TEM). The sequence of the interfacial reactions in the as-processed and exposed at 900°C for 50h SiC{sub f}/Ti-6Al-4V composites can be described as SiC||TiC||Ti{sub 5}Si{sub 3} + TiC||Ti-6Al-4V and SiC||TiC||Ti{sub 5}Si{sub 3}||TiC||Ti{sub 5}Si{sub 3}||TiC||Ti{sub 5}Si{sub 3}||Ti-6Al-4V, respectively. Additionally, both in as-processed and exposed composites, Ti{sub 3}SiC{sub 2} and Ti{sub 3}Si are absent at the interfaces.more » For the SiC{sub f}/C/Ti-6Al-4V composite exposed at 900 °C for 50 h, the sequence of the interfacial reaction can be described as SiC||C||TiC{sub F}||TiC{sub C}||Ti-6Al-4V before C coating is completely consumed by interfacial reaction. When interfacial reaction consumes C coating completely, the sequence of the interfacial reaction can be described as SiC||TiC||Ti{sub 5}Si{sub 3}||TiC||Ti-6Al-4V. Furthermore, in SiC{sub f}/C/Ti-6Al-4V composite, C coating can absolutely prevent Si diffusion from SiC fiber to matrix. Basing on these results, the model of formation process of the interfacial reaction products in the composites was proposed. - Highlights: • We obtained the sequence of the interfacial reactions in the as-processed and exposed at 900 °C for 50 h SiC{sub f}/Ti-6Al-4 V composites as well as in the SiC{sub f}/C/Ti-6Al-4 V composite exposed at 900 °C for 50 h. • We verified that both in as-processed and exposed SiC{sub f}/Ti-6Al-4 V composites, Ti{sub 3}SiC{sub 2} and Ti{sub 3}Si are absent at the interfaces. • Carbon coating can absolutely prevent silicon diffusion from SiC fiber to matrix. • Basing on these results, the model of formation process of the interfacial reaction products in the composites was proposed.« less

Interface Schottky barrier engineering via strain in metal-semiconductor composites

NASA Astrophysics Data System (ADS)

Ma, Xiangchao; Dai, Ying; Yu, Lin; Huang, Baibiao

2016-01-01

The interfacial carrier transfer property, which is dominated by the interface Schottky barrier height (SBH), plays a crucial role in determining the performance of metal-semiconductor heterostructures in a variety of applications. Therefore, artificially controlling the interface SBH is of great importance for their industrial applications. As a model system, the Au/TiO2 (001) heterostructure is studied using first-principles calculations and the tight-binding method in the present study. Our investigation demonstrates that strain can be an effective way to decrease the interface SBH and that the n-type SBH can be more effectively decreased than the p-type SBH. Astonishingly, strain affects the interface SBH mainly by changing the intrinsic properties of Au and TiO2, whereas the interfacial potential alignment is almost independent of strain due to two opposite effects, which are induced by strain at the interfacial region. These observed trends can be understood on the basis of the general free-electron gas model of typical metals, the tight-binding theory and the crystal-field theory, which suggest that similar trends may be generalized for many other metal-semiconductor heterostructures. Given the commonness and tunability of strain in typical heterostructures, we anticipate that the tunability of the interface SBH with strain described here can provide an alternative effective way for realizing more efficient applications of relevant heterostructures.The interfacial carrier transfer property, which is dominated by the interface Schottky barrier height (SBH), plays a crucial role in determining the performance of metal-semiconductor heterostructures in a variety of applications. Therefore, artificially controlling the interface SBH is of great importance for their industrial applications. As a model system, the Au/TiO2 (001) heterostructure is studied using first-principles calculations and the tight-binding method in the present study. Our investigation demonstrates that strain can be an effective way to decrease the interface SBH and that the n-type SBH can be more effectively decreased than the p-type SBH. Astonishingly, strain affects the interface SBH mainly by changing the intrinsic properties of Au and TiO2, whereas the interfacial potential alignment is almost independent of strain due to two opposite effects, which are induced by strain at the interfacial region. These observed trends can be understood on the basis of the general free-electron gas model of typical metals, the tight-binding theory and the crystal-field theory, which suggest that similar trends may be generalized for many other metal-semiconductor heterostructures. Given the commonness and tunability of strain in typical heterostructures, we anticipate that the tunability of the interface SBH with strain described here can provide an alternative effective way for realizing more efficient applications of relevant heterostructures. Electronic supplementary information (ESI) available: The changes of Au 5d DOS, valence bands of TiO2, the interfacial bond length and interfacial energy with strain, and the local DOS results for the change of SBH with strain. See DOI: 10.1039/c5nr05583k

Surface and interfacial chemistry of high-k dielectric and interconnect materials on silicon

NASA Astrophysics Data System (ADS)

Kirsch, Paul Daniel

Surfaces and interfaces play a critical role in the manufacture and function of silicon based integrated circuits. It is therefore reasonable to study the chemistries at these surfaces and interfaces to improve existing processes and to develop new ones. Model barium strontium titanate high-k dielectric systems have been deposited on ultrathin silicon oxynitride in ultrahigh vacuum. The resulting nanostructures are characterized with secondary ion mass spectroscopy (SIMS) and X-ray photoelectron spectroscopy (XPS). An interfacial reaction between Ba and Sr atoms and SiOxNy was found to create silicates, BaSixOy or SrSi xOy. Inclusion of N in the interfacial oxide decreased silicate formation in both Ba and Sr systems. Furthermore, inclusion of N in the interfacial oxide decreased the penetration of Ba and Sr containing species, such as silicides and silicates. Sputter deposited HfO2 was studied on nitrided and unnitrided Si(100) surfaces. XPS and SIMS were used to verify the presence of interfacial HfSixOy and estimate its relative amount on both nitrided and unnitrided samples. More HfSixOy formed without the SiNx interfacial layer. These interfacial chemistry results are then used to explain the electrical measurements obtained from metal oxide semiconductor (MOS) capacitors. MOS capacitors with interfacial SiNx exhibit reduced leakage current and increased capacitance. Lastly, surface science techniques were used to develop a processing technique for reducing thin films of copper (II) and copper (I) oxide to copper. Deuterium atoms (D*) and methyl radicals (CH3*) were shown to reduce Cu 2+ and/or Cu1+ to Cu0 within 30 min at a surface temperature of 400 K under a flux of 1 x 1015 atoms/cm2s. Temperature programmed desorption experiments suggest that oxygen leaves the surface as D2O and CO2 for the D* and CH3* treated surfaces, respectively.

Interfacial rheology of asphaltenes at oil-water interfaces and interpretation of the equation of state.

PubMed

Rane, Jayant P; Pauchard, Vincent; Couzis, Alexander; Banerjee, Sanjoy

2013-04-16

In an earlier study, oil-water interfacial tension was measured by the pendant drop technique for a range of oil-phase asphaltene concentrations and viscosities. The interfacial tension was found to be related to the relative surface coverage during droplet expansion. The relationship was independent of aging time and bulk asphaltenes concentration, suggesting that cross-linking did not occur at the interface and that only asphaltene monomers were adsorbed. The present study extends this work to measurements of interfacial rheology with the same fluids. Dilatation moduli have been measured using the pulsating droplet technique at different frequencies, different concentrations (below and above CNAC), and different aging times. Care was taken to apply the technique in conditions where viscous and inertial effects are small. The elastic modulus increases with frequency and then plateaus to an asymptotic value. The asymptotic or instantaneous elasticity has been plotted against the interfacial tension, indicating the existence of a unique relationship, between them, independent of adsorption conditions. The relationship between interfacial tension and surface coverage is analyzed with a Langmuir equation of state. The equation of state also enabled the prediction of the observed relationship between the instantaneous elasticity and interfacial tension. The fit by a simple Langmuir equation of state (EOS) suggests minimal effects of aging and of nanoaggregates or gel formation at the interface. Only one parameter is involved in the fit, which is the surface excess coverage Γ∞ = 3.2 molecules/nm(2) (31.25 Å(2)/molecule). This value appears to agree with flat-on adsorption of monomeric asphaltene structures consisting of aromatic cores composed of an average of six fused rings and supports the hypothesis that nanoaggregates do not adsorb on the interface. The observed interfacial effects of the adsorbed asphaltenes, correlated by the Langmuir EOS, are consistent with the asphaltene aggregation behavior in the bulk fluid expected from the Yen-Mullins model.

One-Dimensional Modelling of Internal Ballistics

NASA Astrophysics Data System (ADS)

Monreal-González, G.; Otón-Martínez, R. A.; Velasco, F. J. S.; García-Cascáles, J. R.; Ramírez-Fernández, F. J.

2017-10-01

A one-dimensional model is introduced in this paper for problems of internal ballistics involving solid propellant combustion. First, the work presents the physical approach and equations adopted. Closure relationships accounting for the physical phenomena taking place during combustion (interfacial friction, interfacial heat transfer, combustion) are deeply discussed. Secondly, the numerical method proposed is presented. Finally, numerical results provided by this code (UXGun) are compared with results of experimental tests and with the outcome from a well-known zero-dimensional code. The model provides successful results in firing tests of artillery guns, predicting with good accuracy the maximum pressure in the chamber and muzzle velocity what highlights its capabilities as prediction/design tool for internal ballistics.

Comparison and extension of free dendritic growth models through application to silver-15 mass percent copper alloy

NASA Astrophysics Data System (ADS)

Onel, Selis

Modeling free dendritic growth in supercooled alloys is a critical requirement in controlling the microstructure of materials during rapid solidification processing of materials. Recent models developed to predict the growth of a dendrite in a highly supercooled melt adopt modifications that account for the interface kinetics and thermodynamics at high interface velocities, but the assumptions necessary to simplify the mathematical problem impose inherent restrictions. The assumption of straight phase boundaries adopted in early models often loses validity at high supercoolings, where phase boundaries are often curved. The use of equations with Henrian restrictions, such as the Baker-Cahn equation for the interfacial driving force and the Aziz equation for solute trapping confine these models to dilute solutions. Turnbull's collision-limited linear kinetic equation for interface growth may not apply to large interfacial driving forces. Therefore, a useful application and modification of free dendritic growth models require a thorough understanding of their limitations in producing consistent results. One of the objectives of this research is to numerically compare the free dendritic growth models derived from the earlier LGK model developed by Lipton et al. The subsequent LKT model by Lipton et al., the TLK model by Trivedi et al., and the BCT model by Boettinger et al., together with a modification of the TLK model, and the DA model by DiVenuti and Ando are compared through application to an Ag-15 mass % Cu alloy. In addition, a new model to extend the DA model is developed by incorporating a thermodynamic solution model for the calculation of the interfacial driving force, thereby eliminating the Baker-Cahn equation that limits the use of the correct BCT and DA models to dilute solutions. Direct computation of the interfacial driving force by calculating a metastable phase diagram for the Ag-Cu system using a temperature dependent subregular solution model is carried out. Comparison of the results of the new model with the DA model confirms that the Baker-Cahn equation is applicable at low solute concentrations. As a future research direction, the new model can be extended to apply to higher concentration alloys by using a new solute trapping equation to further eliminate the dilute solution limitations.

Influence of charged defects on the interfacial bonding strength of tantalum- and silver-doped nanograined TiO2.

PubMed

Azadmanjiri, Jalal; Wang, James; Berndt, Christopher C; Kapoor, Ajay; Zhu, De Ming; Ang, Andrew S M; Srivastava, Vijay K

2017-05-17

A nano-grained layer including line defects was formed on the surface of a Ti alloy (Ti alloy , Ti-6Al-4V ELI). Then, the micro- and nano-grained Ti alloy with the formation of TiO 2 on its top surface was coated with a bioactive Ta layer with or without incorporating an antibacterial agent of Ag that was manufactured by magnetron sputtering. Subsequently, the influence of the charged defects (the defects that can be electrically charged on the surface) on the interfacial bonding strength and hardness of the surface system was studied via an electronic model. Thereby, material systems of (i) Ta coated micro-grained titanium alloy (Ta/MGTi alloy ), (ii) Ta coated nano-grained titanium alloy (Ta/NGTi alloy ), (iii) TaAg coated micro-grained titanium alloy (TaAg/MGTi alloy ) and (iv) TaAg coated nano-grained titanium alloy (TaAg/NGTi alloy ) were formed. X-ray photoelectron spectroscopy was used to probe the electronic structure of the micro- and nano-grained Ti alloy , and so-formed heterostructures. The thin film/substrate interfaces exhibited different satellite peak intensities. The satellite peak intensity may be related to the interfacial bonding strength and hardness of the surface system. The interfacial layer of TaAg/NGTi alloy exhibited the highest satellite intensity and maximum hardness value. The increased bonding strength and hardness in the TaAg/NGTi alloy arises due to the negative core charge of the dislocations and neighbor space charge accumulation, as well as electron accumulation in the created semiconductor phases of larger band gap at the interfacial layer. These two factors generate interfacial polarization and enhance the satellite intensity. Consequently, the interfacial bonding strength and hardness of the surface system are improved by the formation of mixed covalent-ionic bonding structures around the dislocation core area and the interfacial layer. The bonding strength relationship by in situ XPS on the metal/TiO 2 interfacial layer may be examined with other noble metals and applied in diverse fields.

Comparisons of the foaming and interfacial properties of whey protein isolate and egg white proteins.

PubMed

Davis, J P; Foegeding, E A

2007-02-15

Whipped foams (10%, w/v protein, pH 7.0) were prepared from commercially available samples of whey protein isolate (WPI) and egg white protein (EWP), and subsequently compared based on yield stress (tau(0)), overrun and drainage stability. Adsorption rates and interfacial rheological measurements at a model air/water interface were quantified via pendant drop tensiometry to better understand foaming differences among the ingredients. The highest tau(0) and resistance to drainage were observed for standard EWP, followed by EWP with added 0.1% (w/w) sodium lauryl sulfate, and then WPI. Addition of 25% (w/w) sucrose increased tau(0) and drainage resistance of the EWP-based ingredients, whereas it decreased tau(0) of WPI foams and minimally affected their drainage rates. These differing sugar effects were reflected in the interfacial rheological measurements, as sucrose addition increased the dilatational elasticity for both EWP-based ingredients, while decreasing this parameter for WPI. Previously observed relationships between tau(0) and interfacial rheology did not hold across the protein types; however, these measurements did effectively differentiate foaming behaviors within EWP-based ingredients and within WPI. Interfacial data was also collected for purified beta-lactoglobulin (beta-lg) and ovalbumin, the primary proteins of WPI and EWP, respectively. The addition of 25% (w/w) sucrose increased the dilatational elasticity for adsorbed layers of beta-lg, while minimally affecting the interfacial rheology of adsorbed ovalbumin, in contrast to the response of WPI and EWP ingredients. These experiments underscore the importance of utilizing the same materials for interfacial measurements as used for foaming experiments, if one is to properly infer interfacial information/mechanisms and relate this information to bulk foaming measurements. The effects of protein concentration and measurement time on interfacial rheology were also considered as they relate to bulk foam properties. This data should be of practical assistance to those designing aerated food products, as it has not been previously reported that sucrose addition improves the foaming characteristics of EWP-based ingredients while negatively affecting the foaming behavior of WPI, as these types of protein isolates are common to the food industry.

Transverse impedances and collective instabilities in a heavy ion accelerator

NASA Astrophysics Data System (ADS)

Liu, J.; Yang, J. C.; Xia, J. W.; Yin, D. Y.; Shen, G. D.; Li, P.; Wu, B.; Ruan, S.; Zhao, H.; Wang, G.; Dong, Z. Q.; Wang, K. D.; Yao, L. P.

2018-06-01

Evaluation of transverse impedances and collective instabilities is important for determining whether a transverse feedback system or damping schemes should be prepared in the BRing (Booster Ring) at the HIAF (High Intensity Heavy-ion Accelerator Facility). In this paper, some dominant transverse impedances are estimated to build a transverse impedance model of the BRing. With this model, all potential transverse instabilities and their growth times or rates are analyzed by analytical methods or simulations, and the results agree with each other. The growth times of some instabilities are shorter than the duration times of corresponding manipulations, which shows transverse instabilities may have many detrimental impacts on the BRing. To cure the transverse instabilities, a transverse feedback system will be proposed in the design of the BRing. Besides, this paper not only shows the transverse instabilities in the BRing, but also provides the whole method for estimating them in the design of a new accelerator facility.

Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface.

PubMed

Rane, Kaustubh; van der Vegt, Nico F A

2016-09-15

The present work investigates the effect of interfacial fluctuations (predominantly capillary wave-like fluctuations) on the solvation free energy (Δμ) of a monatomic solute at the water-vapor interface. We introduce a grand-canonical-ensemble-based simulation approach that quantifies the contribution of interfacial fluctuations to Δμ. This approach is used to understand how the above contribution depends on the strength of dispersive and electrostatic solute-water interactions at the temperature of 400 K. At this temperature, we observe that interfacial fluctuations do play a role in the variation of Δμ with the strength of the electrostatic solute-water interaction. We also use grand canonical simulations to further investigate how interfacial fluctuations affect the propensity of the solute toward the water-vapor interface. To this end, we track a quantity called the interface potential (surface excess free energy) with the number of water molecules. With increasing number of water molecules, the liquid-vapor interface moves across a solute, which is kept at a fixed position in the simulation. Hence, the dependence of the interface potential on the number of waters models the process of moving the solute through the water-vapor interface. We analyze the change of the interface potential with the number of water molecules to explain that solute-induced changes in the interfacial fluctuations, like the pinning of capillary-wave-like undulations, do not play any role in the propensity of solutes toward water-vapor interfaces. The above analysis also shows that the dampening of interfacial fluctuations accompanies the adsorption of any solute at the liquid-vapor interface, irrespective of the chemical nature of the solute and solvent. However, such a correlation does not imply that dampening of fluctuations causes adsorption.

Fluid displacement fronts in porous media: pore scale interfacial jumps, pressure bursts and acoustic emissions

NASA Astrophysics Data System (ADS)

Moebius, Franziska; Or, Dani

2014-05-01

The macroscopically smooth and regular motion of fluid fronts in porous media is composed of numerous rapid pore-scale interfacial jumps and pressure bursts that involve intense interfacial energy release in the form of acoustic emissions. The characteristics of these pore scale events affect residual phase entrapment and transport properties behind the front. We present experimental studies using acoustic emission technique (AE), rapid imaging, and liquid pressure measurements to characterize these processes during drainage and imbibition in simple porous media. Imbibition and drainage produce different AE signatures (AE amplitudes obey a power law). For rapid drainage, AE signals persist long after cessation of front motion reflecting fluid redistribution and interfacial relaxation. Imaging revealed that the velocity of interfacial jumps often exceeds front velocity by more than 50 fold and is highly inertial component (Re>1000). Pore invasion volumes reduced deduced from pressure fluctuations waiting times (for constant withdrawal rates) show remarkable agreement with geometrically-deduced pore volumes. Discrepancies between invaded volumes and geometrical pores increase with increasing capillary numbers due to constraints on evacuation opportunity times and simultaneous invasion events. A mechanistic model for interfacial motions in a pore-throat network was developed to investigate interfacial dynamics focusing on the role of inertia. Results suggest that while pore scale dynamics were sensitive to variations in pore geometry and boundary conditions, inertia exerted only a minor effect on phase entrapment. The study on pore scale invasion events paints a complex picture of rapid and inertial motions and provides new insights on mechanisms at displacement fronts that are essential for improved macroscopic description of multiphase flows in porous media.

Mean effects of turbulence on elliptic instability in fluids.

PubMed

Fabijonas, Bruce R; Holm, Darryl D

2003-03-28

Elliptic instability in fluids is discussed in the context of the Lagrangian-averaged Navier-Stokes-alpha (LANS-alpha) turbulence model. This model preserves the Craik-Criminale (CC) family of solutions consisting of a columnar eddy and a Kelvin wave. The LANS-alpha model is shown to preserve elliptic instability. However, the model shifts the critical stability angle. This shift increases (decreases) the maximum growth rate for long (short) waves. It also introduces a band of stable CC solutions for short waves.

A decades-long fast-rise-exponential-decay flare in low-luminosity AGN NGC 7213

NASA Astrophysics Data System (ADS)

Yan, Zhen; Xie, Fu-Guo

2018-03-01

We analysed the four-decades-long X-ray light curve of the low-luminosity active galactic nucleus (LLAGN) NGC 7213 and discovered a fast-rise-exponential-decay (FRED) pattern, i.e. the X-ray luminosity increased by a factor of ≈4 within 200 d, and then decreased exponentially with an e-folding time ≈8116 d (≈22.2 yr). For the theoretical understanding of the observations, we examined three variability models proposed in the literature: the thermal-viscous disc instability model, the radiation pressure instability model, and the TDE model. We find that a delayed tidal disruption of a main-sequence star is most favourable; either the thermal-viscous disc instability model or radiation pressure instability model fails to explain some key properties observed, thus we argue them unlikely.

Application of the Maxwell-Wagner-Hanai effective medium theory to the analysis of the interfacial polarization relaxations in conducting composite films

NASA Astrophysics Data System (ADS)

J-P Adohi, B.; Vanga Bouanga, C.; Fatyeyeva, K.; Tabellout, M.

2009-01-01

A new approach to explain the interfacial polarization phenomenon in conducting composite films is proposed. HCl-doped poly(ethylene terephthalate) (PET) and polyamide-6 (PA-6) matrices with embedded polyaniline (PANI) particles as filler were investigated and analysed, combining dielectric spectroscopy and AFM electrical images with the effective medium theory analysis. Up to three relaxation peaks attributed to the interfacial polarization phenomena were detected in the studied frequency range (0.1 Hz-1 MHz). The AFM electrical images revealed that the doped PA-6/PANI composite can be modelled as a single-type particle medium and the PET/PANI one as a two-type particle medium. A simple dielectric loss expression was derived from the Maxwell-Wagner-Hanai mixture equation and was applied to the experimental data to identify the interfaces involved in each of the relaxation peaks. The parameter values (permittivity, conductivity, volume fraction of the PANI particles) were found to agree well with the measured one, hence validating the models.

Model colloid system for interfacial sorption kinetics

NASA Astrophysics Data System (ADS)

Salipante, Paul; Hudson, Steven

2014-11-01

Adsorption kinetics of nanometer scale molecules, such as proteins at interfaces, is usually determined through measurements of surface coverage. Their small size limits the ability to directly observe individual molecule behavior. To better understand the behavior of nanometer size molecules and the effect on interfacial kinetics, we use micron size colloids with a weak interfacial interaction potential as a model system. Thus, the interaction strength is comparable to many nanoscale systems (less than 10 kBT). The colloid-interface interaction potential is tuned using a combination of depletion, electrostatic, and gravitational forces. The colloids transition between an entropically trapped adsorbed state and a desorbed state through Brownian motion. Observations are made using an LED-based Total Internal Reflection Microscopy (TIRM) setup. The observed adsorption and desorption rates are compared theoretical predictions based on the measured interaction potential and near wall particle diffusivity. This experimental system also allows for the study of more complex dynamics such as nonspherical colloids and collective effects at higher concentrations.

Effects of fiber and interfacial layer architectures on the thermoplastic response of metal matrix composites

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Freed, Alan D.; Arnold, Steven M.

1992-01-01

Examined here is the effect of fiber and interfacial layer morphologies on thermal fields in metal matrix composites (MMCs). A micromechanics model based on an arbitrarily layered concentric cylinder configuration is used to calculate thermal stress fields in MMCs subjected to spatially uniform temperature changes. The fiber is modelled as a layered material with isotropic or orthotropic elastic layers, whereas the surrounding matrix, including interfacial layers, is treated as a strain-hardening, elastoplastic, von Mises solid with temperature-dependent parameters. The solution to the boundary-value problem of an arbitrarily layered concentric cylinder under the prescribed thermal loading is obtained using the local/global stiffness matrix formulation originally developed for stress analysis of multilayered elastic media. Examples are provided that illustrate how the morphology of the SCS6 silicon carbide fiber and the use of multiple compliant layers at the fiber/matrix interface affect the evolution of residual stresses in SiC/Ti composites during fabrication cool-down.

Analysis of Carbon Nanotube Pull-out from a Polymer Matrix

NASA Technical Reports Server (NTRS)

Frankland, S. J. V.; Harik, V. M.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

Molecular dynamics (MD) simulations of carbon nanotube (NT) pull-out from a polymer matrix are carried out. As the NT pull-out develops in the simulation, variations in the displacement and velocities of the NT are monitored. The existence of a carbon-ring-based period in NT sliding during pull-out is identified. Linear trends in the NT velocity-force relation are observed and used to estimate an effective viscosity coefficient for interfacial sliding at the NT/polymer interface. As a result, the entire process of NT pull-out is characterized by an interfacial friction model that is based on a critical pull-out force, and an analog of Newton's friction law used to describe the NT/polymer interfacial sliding.

Molecular dynamics analysis of the influence of Coulomb and van der Waals interactions on the work of adhesion at the solid-liquid interface

NASA Astrophysics Data System (ADS)

Surblys, Donatas; Leroy, Frédéric; Yamaguchi, Yasutaka; Müller-Plathe, Florian

2018-04-01

We investigated the solid-liquid work of adhesion of water on a model silica surface by molecular dynamics simulations, where a methodology previously developed to determine the work of adhesion through thermodynamic integration was extended to a system with long-range electrostatic interactions between solid and liquid. In agreement with previous studies, the work of adhesion increased when the magnitude of the surface polarity was increased. On the other hand, we found that when comparing two systems with and without solid-liquid electrostatic interactions, which were set to have approximately the same total solid-liquid interfacial energy, former had a significantly smaller work of adhesion and a broader distribution in the interfacial energies, which has not been previously reported in detail. This was explained by the entropy contribution to the adhesion free energy; i.e., the former with a broader energy distribution had a larger interfacial entropy than the latter. While the entropy contribution to the work of adhesion has already been known, as a work of adhesion itself is free energy, these results indicate that, contrary to common belief, wetting behavior such as the contact angle is not only governed by the interfacial energy but also significantly affected by the interfacial entropy. Finally, a new interpretation of interfacial entropy in the context of solid-liquid energy variance was offered, from which a fast way to qualitatively estimate the work of adhesion was also presented.

Strange mode instabilities and mass loss in evolved massive primordial stars

NASA Astrophysics Data System (ADS)

Yadav, Abhay Pratap; Kühnrich Biavatti, Stefan Henrique; Glatzel, Wolfgang

2018-04-01

A linear stability analysis of models for evolved primordial stars with masses between 150 and 250 M⊙ is presented. Strange mode instabilities with growth rates in the dynamical range are identified for stellar models with effective temperatures below log Teff = 4.5. For selected models, the final fate of the instabilities is determined by numerical simulation of their evolution into the non-linear regime. As a result, the instabilities lead to finite amplitude pulsations. Associated with them are acoustic energy fluxes capable of driving stellar winds with mass-loss rates in the range between 7.7 × 10-7 and 3.5 × 10-4 M⊙ yr-1.

Longitudinal Associations Between Marital Instability and Child Sleep Problems across Infancy and Toddlerhood in Adoptive Families

PubMed Central

Mannering, Anne M.; Harold, Gordon T.; Leve, Leslie D.; Shelton, Katherine H.; Shaw, Daniel S.; Conger, Rand D.; Neiderhiser, Jenae M.; Scaramella, Laura V.; Reiss, David

2009-01-01

This study examined the longitudinal association between marital instability and child sleep problems at ages 9 and 18 months in 357 families with a genetically unrelated infant adopted at birth. This design eliminates shared genes as an explanation for similarities between parent and child. Structural equation modeling indicated that T1 marital instability predicted T2 child sleep problems, but T1 child sleep problems did not predict T2 marital instability. This pattern of results was replicated when models were estimated separately for mothers and children and for fathers and children. Thus, even after controlling for stability in sleep problems and marital instability and eliminating shared genetic influences on associations using a longitudinal adoption design, marital instability prospectively predicts early childhood sleep patterns. PMID:21557740

A Nonlinear Three-Dimensional Micromechanics Model for Fiber-Reinforced Laminated Composites

DTIC Science & Technology

1993-11-01

Interfacial Properties Employed for the SCS6/Ti-15-3 Composite ......................... 150 11. Constants Employed for the LLFM Predictions of Quasi...Region m Matrix Property or Mean of the Interfacial Stress Distribution ml, m2, m3 Signifies Matrix Region n Normal to Interface r Signifies Equation...usage of the new class of titanium based com- posites in advanced aerospace structures and engines such as are targeted for the advanced tactical fighter

Absolute and convective instabilities and their roles in the forecasting of large frontal meanderings

NASA Astrophysics Data System (ADS)

Liang, X. San; Robinson, Allan R.

2013-10-01

Frontal meanderings are generally difficult to predict. In this study, we demonstrate through an exercise with the Iceland-Faeroe Front (IFF) that satisfactory predictions may be achieved with the aid of hydrodynamic instability analysis. As discovered earlier on, underlying the IFF meandering is a convective instability in the western boundary region followed by an absolute instability in the interior; correspondingly the disturbance growth reveals a switch of pattern from spatial amplification to temporal amplification. To successfully forecast the meandering, the two instability processes must be faithfully reproduced. This sets stringent constraints for the tunable model parameters, e.g., boundary relaxation, temporal relaxation, eddy diffusivity, etc. By analyzing the instability dispersion properties, these parameters can be rather accurately set and their respective ranges of sensitivity estimated. It is shown that too much relaxation inhibits the front from varying; on the other hand, too little relaxation may have the model completely skip the spatial growth phase, leading to a meandering way more upstream along the front. Generally speaking, dissipation/diffusion tends to stabilize the simulation, but unrealistically large dissipation/diffusion could trigger a spurious absolute instability, and hence a premature meandering intrusion. The belief that taking in more data will improve the forecast does not need to be true; it depends on whether the model setup admits the two instabilities. This study may help relieve modelers from the laborious and tedious work of parameter tuning; it also provides us criteria to distinguish a physically relevant forecast from numerical artifacts.

Accounting for optical errors in microtensiometry.

PubMed

Hinton, Zachary R; Alvarez, Nicolas J

2018-09-15

Drop shape analysis (DSA) techniques measure interfacial tension subject to error in image analysis and the optical system. While considerable efforts have been made to minimize image analysis errors, very little work has treated optical errors. There are two main sources of error when considering the optical system: the angle of misalignment and the choice of focal plane. Due to the convoluted nature of these sources, small angles of misalignment can lead to large errors in measured curvature. We demonstrate using microtensiometry the contributions of these sources to measured errors in radius, and, more importantly, deconvolute the effects of misalignment and focal plane. Our findings are expected to have broad implications on all optical techniques measuring interfacial curvature. A geometric model is developed to analytically determine the contributions of misalignment angle and choice of focal plane on measurement error for spherical cap interfaces. This work utilizes a microtensiometer to validate the geometric model and to quantify the effect of both sources of error. For the case of a microtensiometer, an empirical calibration is demonstrated that corrects for optical errors and drastically simplifies implementation. The combination of geometric modeling and experimental results reveal a convoluted relationship between the true and measured interfacial radius as a function of the misalignment angle and choice of focal plane. The validated geometric model produces a full operating window that is strongly dependent on the capillary radius and spherical cap height. In all cases, the contribution of optical errors is minimized when the height of the spherical cap is equivalent to the capillary radius, i.e. a hemispherical interface. The understanding of these errors allow for correct measure of interfacial curvature and interfacial tension regardless of experimental setup. For the case of microtensiometry, this greatly decreases the time for experimental setup and increases experiential accuracy. In a broad sense, this work outlines the importance of optical errors in all DSA techniques. More specifically, these results have important implications for all microscale and microfluidic measurements of interface curvature. Copyright © 2018 Elsevier Inc. All rights reserved.

Modeling of the fracture behavior of spot welds using advanced micro-mechanical damage models

NASA Astrophysics Data System (ADS)

Sommer, Silke

2010-06-01

This paper presents the modeling of deformation and fracture behavior of resistance spot welded joints in DP600 steel sheets. Spot welding is still the most commonly used joining technique in automotive engineering. In overloading situations like crash joints are often the weakest link in a structure. For those reasons, crash simulations need reliable and applicable tools to predict the load bearing capacity of spot welded components. Two series of component tests with different spot weld diameters have shown that the diameter of the weld nugget is the main influencing factor affecting fracture mode (interfacial or pull-out fracture), load bearing capacity and energy absorption. In order to find a correlation between nugget diameter, load bearing capacity and fracture mode, the spot welds are simulated with detailed finite element models containing base metal, heat affected zone and weld metal in lap-shear loading conditions. The change in fracture mode from interfacial to pull-out or peel-out fracture with growing nugget diameter under lap-shear loading was successfully modeled using the Gologanu-Leblond model in combination with the fracture criteria of Thomason and Embury. A small nugget diameter is identified to be the main cause for interfacial fracture. In good agreement with experimental observations, the calculated pull-out fracture initiates in the base metal at the boundary to the heat affected zone.

Molecular dynamics simulations on interaction between bacterial proteins: Implication on pathogenic activities.

PubMed

Mondal, Manas; Chakrabarti, Jaydeb; Ghosh, Mahua

2018-03-01

We perform molecular dynamics simulation studies on interaction between bacterial proteins: an outer-membrane protein STY3179 and a yfdX protein STY3178 of Salmonella Typhi. STY3179 has been found to be involved in bacterial adhesion and invasion. STY3178 is recently biophysically characterized. It is a soluble protein having antibiotic binding and chaperon activity capabilities. These two proteins co-occur and are from neighboring gene in Salmonella Typhi-occurrence of homologs of both STY3178 and STY3179 are identified in many Gram-negative bacteria. We show using homology modeling, docking followed by molecular dynamics simulation that they can form a stable complex. STY3178 belongs to aqueous phase, while the beta barrel portion of STY3179 remains buried in DPPC bilayer with extra-cellular loops exposed to water. To understand the molecular basis of interaction between STY3178 and STY3179, we compute the conformational thermodynamics which indicate that these two proteins interact through polar and acidic residues belonging to their interfacial region. Conformational thermodynamics results further reveal instability of certain residues in extra-cellular loops of STY3179 upon complexation with STY3178 which is an indication for binding with host cell protein laminin. © 2017 Wiley Periodicals, Inc.

Instability and turbulent mixing of shocked `V' shaped interface

NASA Astrophysics Data System (ADS)

Li, Long; Sun, Yutao

Based on the mass fraction model of multicomponent mixture, the interaction between weak shock wave and `V' shaped air/ interface with different vertex angles are numerical simulated using high resolution finite volume method with minimized dispersion and controllable dissipation (MDCD) scheme. It is observed that the baroclinic vorticity is deposited near the interface due to the misalignment of the density and pressure gradient, leading to the formation of vortical structures along the interface. The predicted leftmost interface displacement and interface width growth rate in the early stage of interface evolution agree well with experimental results. The numerical results indicate that with the evolution of the interfacial vortical structures, the array of vortices begins to merge. As the result, the vortices accumulate at several distinct regions. It is in these regions, the multi-scale structures are generated because of the interaction between vortices. It is observed that due to the different scaling with Reynolds number of upper bound and lower bound, an uncoupled inertial range appears, and the mixing transition occurs with the appearance of an inertial range of scales. The classical Kolmogorov -5/3 power laws are shown in the energy fluctuation spectrum, which means the inertial range is just beginning to form and the flow field near the material interface will develop to turbulence.

Effects of G-Jitter on Interfacial Dynamics of Two Miscible Liquids: Application of MIM

NASA Technical Reports Server (NTRS)

Duval, Walter M. B.; Tryggvason, Bjarni V.

2000-01-01

We designed an experiment to examine the effects of g-jitter on mixing of two miscible liquids using the Microgravity Vibration Isolation Mount (MIM). The global bifurcation of the interface was observed with the MIM operating alternatively to either transmit the g-jitter, isolate from the g-jitter or to provide controlled vibration levels with well defined amplitude and frequency content. With the MIM in isolation mode, the interface remains stationary indicating buoyancy induced convection is negligibly small such that mixing occurs via intrinsic mass diffusion without the masking effect of vibration driven convection. Analytical and computational results are in agreement with the experimental findings. Operation of the MIM in forced mode with conditions typical of g-jitter shows that vibration induced convective flows can excite instability mechanisms such as Kelvin-Helmholtz to generate large amplitude quasi-stationary waves oriented vertically for various cases with Stokes-Reynolds number in the range of 0.003 to 0.5. The two and four mode quasi-stationary waves are also predicted with a mathematical model. Though unplanned, the effect of a primary thruster filing was captured and shown to cause a catastrophic bifurcation, enhancing local mass transport. In light of the findings, experiments planned for the International Space Station should consider the potential effects of g-jitter.

Influence of phase connectivity on the relationship among capillary pressure, fluid saturation, and interfacial area in two-fluid-phase porous medium systems

DOE PAGES

McClure, James E.; Berrill, Mark A.; Gray, William G.; ...

2016-09-02

Here, multiphase flow in porous medium systems is typically modeled using continuum mechanical representations at the macroscale in terms of averaged quantities. These models require closure relations to produce solvable forms. One of these required closure relations is an expression relating fluid pressures, fluid saturations, and, in some cases, the interfacial area between the fluid phases, and the Euler characteristic. An unresolved question is whether the inclusion of these additional morphological and topological measures can lead to a non-hysteretic closure relation compared to the hysteretic forms that are used in traditional models, which typically do not include interfacial areas, ormore » the Euler characteristic. We develop a lattice-Boltzmann (LB) simulation approach to investigate the equilibrium states of a two-fluid-phase porous medium system, which include disconnected now- wetting phase features. The proposed approach is applied to a synthetic medium consisting of 1,964 spheres arranged in a random, non-overlapping, close-packed manner, yielding a total of 42,908 different equilibrium points. This information is evaluated using a generalized additive modeling approach to determine if a unique function from this family exists, which can explain the data. The variance of various model estimates is computed, and we conclude that, except for the limiting behavior close to a single fluid regime, capillary pressure can be expressed as a deterministic and non-hysteretic function of fluid saturation, interfacial area between the fluid phases, and the Euler characteristic. This work is unique in the methods employed, the size of the data set, the resolution in space and time, the true equilibrium nature of the data, the parameterizations investigated, and the broad set of functions examined. The conclusion of essentially non-hysteretic behavior provides support for an evolving class of two-fluid-phase flow in porous medium systems models.« less

Influence of phase connectivity on the relationship among capillary pressure, fluid saturation, and interfacial area in two-fluid-phase porous medium systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

McClure, James E.; Berrill, Mark A.; Gray, William G.

Here, multiphase flow in porous medium systems is typically modeled using continuum mechanical representations at the macroscale in terms of averaged quantities. These models require closure relations to produce solvable forms. One of these required closure relations is an expression relating fluid pressures, fluid saturations, and, in some cases, the interfacial area between the fluid phases, and the Euler characteristic. An unresolved question is whether the inclusion of these additional morphological and topological measures can lead to a non-hysteretic closure relation compared to the hysteretic forms that are used in traditional models, which typically do not include interfacial areas, ormore » the Euler characteristic. We develop a lattice-Boltzmann (LB) simulation approach to investigate the equilibrium states of a two-fluid-phase porous medium system, which include disconnected now- wetting phase features. The proposed approach is applied to a synthetic medium consisting of 1,964 spheres arranged in a random, non-overlapping, close-packed manner, yielding a total of 42,908 different equilibrium points. This information is evaluated using a generalized additive modeling approach to determine if a unique function from this family exists, which can explain the data. The variance of various model estimates is computed, and we conclude that, except for the limiting behavior close to a single fluid regime, capillary pressure can be expressed as a deterministic and non-hysteretic function of fluid saturation, interfacial area between the fluid phases, and the Euler characteristic. This work is unique in the methods employed, the size of the data set, the resolution in space and time, the true equilibrium nature of the data, the parameterizations investigated, and the broad set of functions examined. The conclusion of essentially non-hysteretic behavior provides support for an evolving class of two-fluid-phase flow in porous medium systems models.« less

Strongly nonlinear theory of rapid solidification near absolute stability

NASA Astrophysics Data System (ADS)

Kowal, Katarzyna N.; Altieri, Anthony L.; Davis, Stephen H.

2017-10-01

We investigate the nonlinear evolution of the morphological deformation of a solid-liquid interface of a binary melt under rapid solidification conditions near two absolute stability limits. The first of these involves the complete stabilization of the system to cellular instabilities as a result of large enough surface energy. We derive nonlinear evolution equations in several limits in this scenario and investigate the effect of interfacial disequilibrium on the nonlinear deformations that arise. In contrast to the morphological stability problem in equilibrium, in which only cellular instabilities appear and only one absolute stability boundary exists, in disequilibrium the system is prone to oscillatory instabilities and a second absolute stability boundary involving attachment kinetics arises. Large enough attachment kinetics stabilize the oscillatory instabilities. We derive a nonlinear evolution equation to describe the nonlinear development of the solid-liquid interface near this oscillatory absolute stability limit. We find that strong asymmetries develop with time. For uniform oscillations, the evolution equation for the interface reduces to the simple form f''+(βf')2+f =0 , where β is the disequilibrium parameter. Lastly, we investigate a distinguished limit near both absolute stability limits in which the system is prone to both cellular and oscillatory instabilities and derive a nonlinear evolution equation that captures the nonlinear deformations in this limit. Common to all these scenarios is the emergence of larger asymmetries in the resulting shapes of the solid-liquid interface with greater departures from equilibrium and larger morphological numbers. The disturbances additionally sharpen near the oscillatory absolute stability boundary, where the interface becomes deep-rooted. The oscillations are time-periodic only for small-enough initial amplitudes and their frequency depends on a single combination of physical parameters, including the morphological number, as well as the amplitude. The critical amplitude, at which solutions loose periodicity, depends on a single combination of parameters independent of the morphological number that indicate that non-periodic growth is most commonly present for moderate disequilibrium parameters. The spatial distribution of the interface develops deepening roots at late times. Similar spatial distributions are also seen in the limit in which both the cellular and oscillatory modes are close to absolute stability, and the roots deepen with larger departures from the two absolute stability boundaries.

Snap-through instability analysis of dielectric elastomers with consideration of chain entanglements

NASA Astrophysics Data System (ADS)

Zhu, Jiakun; Luo, Jun; Xiao, Zhongmin

2018-06-01

It is widely recognized that the extension limit of polymer chains has a significant effect on the snap-through instability of dielectric elastomers (DEs). The snap-through instability performance of DEs has been extensively studied by two limited-stretch models, i.e., the eight-chain model and Gent model. However, the real polymer networks usually have many entanglements due to the impenetrability of the network chains as well as a finite extensibility resulting from the full stretching of the polymer chains. The effects of entanglements on the snap-through instability of DEs cannot be captured by the previous two limited-stretch models. In this paper, the nonaffine model proposed by Davidson and Goulbourne is adopted to characterize the influence of entanglements and extension limit of the polymer chains. It is demonstrated that the nonaffine model is almost identical to the eight-chain model and is close to the Gent model if we ignore the effects of chain entanglements and adopt the affine assumption. The suitability of the nonaffine model to characterize the mechanical behavior of elastomers is validated by fitting the experimental results reported in the open literature. After that, the snap-through stability performance of an ideal DE membrane under equal-biaxial prestretches is studied with the nonaffine model. It is revealed that besides the prestretch and chain extension limit, the chain entanglements can markedly influence the snap-through instability and the path to failure of DEs. These results provide a more comprehensive understanding on the snap-through instability of a DE and may be helpful to guide the design of DE devices.

Influence of thermodynamic mechanism of inter- facial adsorption on purifying air-conditioning engineering under intensification of electric field

NASA Astrophysics Data System (ADS)

Chen, Yun-Yu

2016-12-01

As a kind of mass transfer process as well as the basis of separating and purifying mixtures, interfacial adsorption has been widely applied to fields like chemical industry, medical industry and purification engineering in recent years. Influencing factors of interfacial adsorption, in addition to the traditional temperature, intensity of pressure, amount of substance and concentration, also include external fields, such as magnetic field, electric field and electromagnetic field, etc. Starting from the point of thermodynamics and taking the Gibbs adsorption as the model, the combination of energy axiom and the first law of thermodynamics was applied to boundary phase, and thus the theoretical expression for the volume of interface absorption under electric field as well as the mathematical relationship between surface tension and electric field intensity was obtained. In addition, according to the obtained theoretical expression, the volume of interface absorption of ethanol solution under different electric field intensities and concentrations was calculated. Moreover, the mechanism of interfacial adsorption was described from the perspective of thermodynamics and the influence of electric field on interfacial adsorption was explained reasonably, aiming to further discuss the influence of thermodynamic mechanism of interfacial adsorption on purifying air-conditioning engineering under intensification of electric field.

Engineering the biosynthesis of novel rhamnolipids in Escherichia coli for enhanced oil recovery.

PubMed

Han, L; Liu, P; Peng, Y; Lin, J; Wang, Q; Ma, Y

2014-07-01

The interfacial tension of rhamnolipids and their applications in enhanced oil recovery are dependent on their chemical structures and compositions. To improve their performances of interfacial tension and enhanced oil recovery, the engineered strategies were applied to produce novel rhamnolipids with different chemical structures and compositions. By introducing different key genes for rhamnolipid biosynthesis, Escherichia coli was firstly constructed to produce rhamnolipids that showed different performances in interfacial tension from those from Pseudomonas aeruginosa due to the different fatty acyl compositions. Then, the mutant RhlBs were created by directed evolution and subsequent site-directed mutagenesis and resulted in the production of the novel rhamnolipids with the different performances in interfacial tension as well as enhanced oil recovery. Lastly, computational modelling elucidates that the single amino acid mutation at the position 168 in RhlB would change the volume of binding pocket for substrate and thus affect the selectivity of rhamnolipid formation in E. coli. The novel rhamnolipids that showed the improved performances of interfacial tension and the potential different applications in enhanced oil recovery were successfully produced by engineered E. coli. This study proved that the combination of metabolic engineering and protein engineering is an important engineered strategy to produce many novel metabolites in micro-organisms. © 2014 The Society for Applied Microbiology.

Chronic Ankle Instability: Evolution of the Model

PubMed Central

Hiller, Claire E.; Kilbreath, Sharon L.; Refshauge, Kathryn M.

2011-01-01

Abstract Context: The Hertel model of chronic ankle instability (CAI) is commonly used in research but may not be sufficiently comprehensive. Mechanical instability and functional instability are considered part of a continuum, and recurrent sprain occurs when both conditions are present. A modification of the Hertel model is proposed whereby these 3 components can exist independently or in combination. Objective: To examine the fit of data from people with CAI to 2 CAI models and to explore whether the different subgroups display impairments when compared with a control group. Design: Cross-sectional study. Patients or Other Participants: Community-dwelling adults and adolescent dancers were recruited: 137 ankles with ankle sprain for objective 1 and 81 with CAI and 43 controls for objective 2. Intervention(s): Two balance tasks and time to recover from an inversion perturbation were assessed to determine if the subgroups demonstrated impairments when compared with a control group (objective 2). Main Outcome Measure(s): For objective 1 (fit to the 2 models), outcomes were Cumberland Ankle Instability Tool score, anterior drawer test results, and number of sprains. For objective 2, outcomes were 2 balance tasks (number of foot lifts in 30 seconds, ability to balance on the ball of the foot) and time to recover from an inversion perturbation. The Cohen d was calculated to compare each subgroup with the control group. Results: A total of 56.5% of ankles (n = 61) fit the Hertel model, whereas all ankles (n = 108) fit the proposed model. In the proposed model, 42.6% of ankles were classified as perceived instability, 30.5% as recurrent sprain and perceived instability, and 26.9% as among the remaining groups. All CAI subgroups performed more poorly on the balance and inversion-perturbation tasks than the control group. Subgroups with perceived instability had greater impairment in single-leg stance, whereas participants with recurrent sprain performed more poorly than the other subgroups when balancing on the ball of the foot. Only individuals with hypomobility appeared unimpaired when recovering from an inversion perturbation. Conclusions: The new model of CAI is supported by the available data. Perceived instability alone and in combination characterized the majority of participants. Several impairments distinguished the sprain groups from the control group. PMID:21391798

Thermal conductance at the interface between crystals using equilibrium and nonequilibrium molecular dynamics

NASA Astrophysics Data System (ADS)

Merabia, Samy; Termentzidis, Konstantinos

2012-09-01

In this article, we compare the results of nonequilibrium (NEMD) and equilibrium (EMD) molecular dynamics methods to compute the thermal conductance at the interface between solids. We propose to probe the thermal conductance using equilibrium simulations measuring the decay of the thermally induced energy fluctuations of each solid. We also show that NEMD and EMD give generally speaking inconsistent results for the thermal conductance: Green-Kubo simulations probe the Landauer conductance between two solids which assumes phonons on both sides of the interface to be at equilibrium. On the other hand, we show that NEMD give access to the out-of-equilibrium interfacial conductance consistent with the interfacial flux describing phonon transport in each solid. The difference may be large and reaches typically a factor 5 for interfaces between usual semiconductors. We analyze finite size effects for the two determinations of the interfacial thermal conductance, and show that the equilibrium simulations suffer from severe size effects as compared to NEMD. We also compare the predictions of the two above-mentioned methods—EMD and NEMD—regarding the interfacial conductance of a series of mass mismatched Lennard-Jones solids. We show that the Kapitza conductance obtained with EMD can be well described using the classical diffuse mismatch model (DMM). On the other hand, NEMD simulation results are consistent with an out-of-equilibrium generalization of the acoustic mismatch model (AMM). These considerations are important in rationalizing previous results obtained using molecular dynamics, and help in pinpointing the physical scattering mechanisms taking place at atomically perfect interfaces between solids, which is a prerequisite to understand interfacial heat transfer across real interfaces.

Effect of interfacial interactions on the thermal conductivity and interfacial thermal conductance in tungsten–graphene layered structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jagannadham, K., E-mail: jag-kasichainula@ncsu.edu

2014-09-01

Graphene film was deposited by microwave plasma assisted deposition on polished oxygen free high conductivity copper foils. Tungsten–graphene layered film was formed by deposition of tungsten film by magnetron sputtering on the graphene covered copper foils. Tungsten film was also deposited directly on copper foil without graphene as the intermediate film. The tungsten–graphene–copper samples were heated at different temperatures up to 900 °C in argon atmosphere to form an interfacial tungsten carbide film. Tungsten film deposited on thicker graphene platelets dispersed on silicon wafer was also heated at 900 °C to identify the formation of tungsten carbide film by reaction of tungstenmore » with graphene platelets. The films were characterized by scanning electron microscopy, Raman spectroscopy, and x-ray diffraction. It was found that tungsten carbide film formed at the interface upon heating only above 650 °C. Transient thermoreflectance signal from the tungsten film surface on the samples was collected and modeled using one-dimensional heat equation. The experimental and modeled results showed that the presence of graphene at the interface reduced the cross-plane effective thermal conductivity and the interfacial thermal conductance of the layer structure. Heating at 650 and 900 °C in argon further reduced the cross-plane thermal conductivity and interface thermal conductance as a result of formation nanocrystalline tungsten carbide at the interface leading to separation and formation of voids. The present results emphasize that interfacial interactions between graphene and carbide forming bcc and hcp elements will reduce the cross-plane effective thermal conductivity in composites.« less

Radiation-induced instability and its relation to radiation carcinogenesis

NASA Technical Reports Server (NTRS)

Ullrich, R. L.; Ponnaiya, B.

1998-01-01

PURPOSE: A model that identifies radiation-induced genetic instability as the earliest cellular event in the multi-step sequence leading to radiation-induced cancer was previously proposed. In this paper ongoing experiments are discussed which are designed to test this model and its predictions in mouse mammary epithelial cells. RESULTS: Several lines of evidence are presented that appear to support this model: first, the development of delayed mutations in p53 following irradiation in altered growth variants; secondly, the high frequencies for the induction of both instability and transformation following irradiation in mammary epithelial cells; and finally, the demonstration that susceptibility to the induction of cytogenetic instability is a heritable trait that correlates with susceptibility to transformation and radiation-induced mammary cancer. Mice resistant to transformation and mammary cancer development are also resistant to the development of instability after irradiation. In contrast, mice sensitive to transformation and cancer are also sensitive to the development of cytogenetic instability. CONCLUSIONS: Data from this laboratory and from the studies cited above suggest a specific, and perhaps unique, role for radiation-induced instability as a critical early event associated with initiation of the carcinogenic process.

Bet-hedging as a complex interaction among developmental instability, environmental heterogeneity, dispersal, and life-history strategy.

PubMed

Scheiner, Samuel M

2014-02-01

One potential evolutionary response to environmental heterogeneity is the production of randomly variable offspring through developmental instability, a type of bet-hedging. I used an individual-based, genetically explicit model to examine the evolution of developmental instability. The model considered both temporal and spatial heterogeneity alone and in combination, the effect of migration pattern (stepping stone vs. island), and life-history strategy. I confirmed that temporal heterogeneity alone requires a threshold amount of variation to select for a substantial amount of developmental instability. For spatial heterogeneity only, the response to selection on developmental instability depended on the life-history strategy and the form and pattern of dispersal with the greatest response for island migration when selection occurred before dispersal. Both spatial and temporal variation alone select for similar amounts of instability, but in combination resulted in substantially more instability than either alone. Local adaptation traded off against bet-hedging, but not in a simple linear fashion. I found higher-order interactions between life-history patterns, dispersal rates, dispersal patterns, and environmental heterogeneity that are not explainable by simple intuition. We need additional modeling efforts to understand these interactions and empirical tests that explicitly account for all of these factors.

Hydrodynamic instability of elastic-plastic solid plates at the early stage of acceleration.

PubMed

Piriz, A R; Sun, Y B; Tahir, N A

2015-03-01

A model is presented for the linear Rayleigh-Taylor instability taking place at the early stage of acceleration of an elastic-plastic solid, when the shock wave is still running into the solid and is driven by a time varying pressure on the interface. When the the shock is formed sufficiently close to the interface, this stage is considered to follow a previous initial phase controlled by the Ritchmyer-Meshkov instability that settles new initial conditions. The model reproduces the behavior of the instability observed in former numerical simulation results and provides a relatively simpler physical picture than the currently existing one for this stage of the instability evolution.

Theory of domain patterns in systems with long-range interactions of Coulomb type.

PubMed

Muratov, C B

2002-12-01

We develop a theory of the domain patterns in systems with competing short-range attractive interactions and long-range repulsive Coulomb interactions. We take an energetic approach, in which patterns are considered as critical points of a mean-field free energy functional. Close to the microphase separation transition, this functional takes on a universal form, allowing us to treat a number of diverse physical situations within a unified framework. We use asymptotic analysis to study domain patterns with sharp interfaces. We derive an interfacial representation of the pattern's free energy which remains valid in the fluctuating system, with a suitable renormalization of the Coulomb interaction's coupling constant. We also derive integro-differential equations describing stationary domain patterns of arbitrary shapes and their thermodynamic stability, coming from the first and second variations of the interfacial free energy. We show that the length scale of a stable domain pattern must obey a certain scaling law with the strength of the Coulomb interaction. We analyzed the existence and stability of localized (spots, stripes, annuli) and periodic (lamellar, hexagonal) patterns in two dimensions. We show that these patterns are metastable in certain ranges of the parameters and that they can undergo morphological instabilities leading to the formation of more complex patterns. We discuss nucleation of the domain patterns by thermal fluctuations and pattern formation scenarios for various thermal quenches. We argue that self-induced disorder is an intrinsic property of the domain patterns in the systems under consideration.

Interfacial thin films rupture and self-similarity

NASA Astrophysics Data System (ADS)

Ward, Margaret H.

2011-06-01

Two superposed thin layers of fluids are prone to interfacial instabilities due to London-van der Waals forces. Evolution equations for the film thicknesses are derived using lubrication theory. Using the intrinsic scales, for a single layer, results in a system with parametric dependence of four ratios of the two layers: surface tension, Hamaker constant, viscosity, and film thickness. In contrast to the single layer case, the bilayer system has two unstable eigenmodes: squeezing and bending. For some particular parameter regimes, the system exhibits the avoided crossing behavior, where the two eigenmodes are interchanged. Based on numerical analysis, the system evolves into four different rupture states: basal layer rupture, upper layer rupture, double layer rupture, and mixed layer rupture. The ratio of Hamaker constants and the relative film thickness of the two layers control the system dynamics. Remarkably, the line of avoided crossing demarks the transition region of mode mixing and energy transfer, affecting the scaling of the dynamical regime map consequentially. Asymptotic and numerical analyses are used to examine the self-similar ruptures and to extract the power law scalings for both the basal layer rupture and the upper layer rupture. The scaling laws for the basal layer rupture are the same as those of the single layer on top of a substrate. The scaling laws for the upper layer rupture are different: the lateral length scale decreases according to (tr-t)1/3 and the film thickness decreases according to (tr-t)1/6.

Multi-water-bag models of ion temperature gradient instability in cylindrical geometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coulette, David; Besse, Nicolas

2013-05-15

Ion temperature gradient instabilities play a major role in the understanding of anomalous transport in core fusion plasmas. In the considered cylindrical geometry, ion dynamics is described using a drift-kinetic multi-water-bag model for the parallel velocity dependency of the ion distribution function. In a first stage, global linear stability analysis is performed. From the obtained normal modes, parametric dependencies of the main spectral characteristics of the instability are then examined. Comparison of the multi-water-bag results with a reference continuous Maxwellian case allows us to evaluate the effects of discrete parallel velocity sampling induced by the Multi-Water-Bag model. Differences between themore » global model and local models considered in previous works are discussed. Using results from linear, quasilinear, and nonlinear numerical simulations, an analysis of the first stage saturation dynamics of the instability is proposed, where the divergence between the three models is examined.« less

One-dimensional drift-flux model and constitutive equations for relative motion between phases in various two-phase flow regimes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ishii, M.

1977-10-01

In view of the practical importance of the drift-flux model for two-phase flow analysis in general and in the analysis of nuclear-reactor transients and accidents in particular, the kinematic constitutive equation for the drift velocity has been studied for various two-phase flow regimes. The constitutive equation that specifies the relative motion between phases in the drift-flux model has been derived by taking into account the interfacial geometry, the body-force field, shear stresses, and the interfacial momentum transfer, since these macroscopic effects govern the relative velocity between phases. A comparison of the model with various experimental data over various flow regimesmore » and a wide range of flow parameters shows a satisfactory agreement.« less

Characterization of complexities in combustion instability in a lean premixed gas-turbine model combustor.

PubMed

Gotoda, Hiroshi; Amano, Masahito; Miyano, Takaya; Ikawa, Takuya; Maki, Koshiro; Tachibana, Shigeru

2012-12-01

We characterize complexities in combustion instability in a lean premixed gas-turbine model combustor by nonlinear time series analysis to evaluate permutation entropy, fractal dimensions, and short-term predictability. The dynamic behavior in combustion instability near lean blowout exhibits a self-affine structure and is ascribed to fractional Brownian motion. It undergoes chaos by the onset of combustion oscillations with slow amplitude modulation. Our results indicate that nonlinear time series analysis is capable of characterizing complexities in combustion instability close to lean blowout.

Minimal model for a hydrodynamic fingering instability in microroller suspensions

NASA Astrophysics Data System (ADS)

Delmotte, Blaise; Donev, Aleksandar; Driscoll, Michelle; Chaikin, Paul

2017-11-01

We derive a minimal continuum model to investigate the hydrodynamic mechanism behind the fingering instability recently discovered in a suspension of microrollers near a floor [M. Driscoll et al., Nat. Phys. 13, 375 (2017), 10.1038/nphys3970]. Our model, consisting of two continuous lines of rotlets, exhibits a linear instability driven only by hydrodynamic interactions and reproduces the length-scale selection observed in large-scale particle simulations and in experiments. By adjusting only one parameter, the distance between the two lines, our dispersion relation exhibits quantitative agreement with the simulations and qualitative agreement with experimental measurements. Our linear stability analysis indicates that this instability is caused by the combination of the advective and transverse flows generated by the microrollers near a no-slip surface. Our simple model offers an interesting formalism to characterize other hydrodynamic instabilities that have not been well understood, such as size scale selection in suspensions of particles sedimenting adjacent to a wall, or the recently observed formations of traveling phonons in systems of confined driven particles.

Cosmological Signature of the Standard Model Higgs Vacuum Instability: Primordial Black Holes as Dark Matter

NASA Astrophysics Data System (ADS)

Espinosa, J. R.; Racco, D.; Riotto, A.

2018-03-01

For the current central values of the Higgs boson and top quark masses, the standard model Higgs potential develops an instability at a scale of the order of 1 011 GeV . We show that a cosmological signature of such instability could be dark matter in the form of primordial black holes seeded by Higgs fluctuations during inflation. The existence of dark matter might not require physics beyond the standard model.

Robustness of the filamentation instability as shock mediator in arbitrarily oriented magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bret, A.; Alvaro, E. Perez

2011-08-15

The filamentation instability (sometimes also referred to as ''Weibel'') is a key process in many astrophysical scenario. In the Fireball model for gamma ray bursts, this instability is believed to mediate collisionless shock formation from the collision of two plasma shells. It has been known for long that a flow aligned magnetic field can completely cancel this instability. We show here that in the general case where there is an angle between the field and the flow, the filamentation instability can never be stabilized, regardless of the field strength. The presented model analyzes the stability of two symmetric counter-streaming coldmore » electron/proton plasma shells. Relativistic effects are accounted for, and various exact analytical results are derived. This result guarantees the occurrence of the instability in realistic settings fulfilling the cold approximation.« less

Control of transversal instabilities in reaction-diffusion systems

NASA Astrophysics Data System (ADS)

Totz, Sonja; Löber, Jakob; Totz, Jan Frederik; Engel, Harald

2018-05-01

In two-dimensional reaction-diffusion systems, local curvature perturbations on traveling waves are typically damped out and vanish. However, if the inhibitor diffuses much faster than the activator, transversal instabilities can arise, leading from flat to folded, spatio-temporally modulated waves and to spreading spiral turbulence. Here, we propose a scheme to induce or inhibit these instabilities via a spatio-temporal feedback loop. In a piecewise-linear version of the FitzHugh–Nagumo model, transversal instabilities and spiral turbulence in the uncontrolled system are shown to be suppressed in the presence of control, thereby stabilizing plane wave propagation. Conversely, in numerical simulations with the modified Oregonator model for the photosensitive Belousov–Zhabotinsky reaction, which does not exhibit transversal instabilities on its own, we demonstrate the feasibility of inducing transversal instabilities and study the emerging wave patterns in a well-controlled manner.

Longitudinal associations between marital instability and child sleep problems across infancy and toddlerhood in adoptive families.

PubMed

Mannering, Anne M; Harold, Gordon T; Leve, Leslie D; Shelton, Katherine H; Shaw, Daniel S; Conger, Rand D; Neiderhiser, Jenae M; Scaramella, Laura V; Reiss, David

2011-01-01

This study examined the longitudinal association between marital instability and child sleep problems at ages 9 and 18 months in 357 families with a genetically unrelated infant adopted at birth. This design eliminates shared genes as an explanation for similarities between parent and child. Structural equation modeling indicated that T1 marital instability predicted T2 child sleep problems, but T1 child sleep problems did not predict T2 marital instability. This result was replicated when models were estimated separately for mothers and fathers. Thus, even after controlling for stability in sleep problems and marital instability and eliminating shared genetic influences on associations using a longitudinal adoption design, marital instability prospectively predicts early childhood sleep patterns. © 2011 The Authors. Child Development © 2011 Society for Research in Child Development, Inc.

On the interrelation of divergence, flutter and auto-parametric resonance.

NASA Technical Reports Server (NTRS)

Herrmann, G.; Hauger, W.

1973-01-01

The dependence between static instability and kinetic instability (flutter) on autoparameteric resonance is studied by taking compressibility into account in a model of a cantilever beam under the action of a follower force. It is shown that both instabilities are formally special cases of instabilities known as subharmonic and combination resonances.

Interplay of interfacial noise and curvature-driven dynamics in two dimensions

NASA Astrophysics Data System (ADS)

Roy, Parna; Sen, Parongama

2017-02-01

We explore the effect of interplay of interfacial noise and curvature-driven dynamics in a binary spin system. An appropriate model is the generalized two-dimensional voter model proposed earlier [M. J. de Oliveira, J. F. F. Mendes, and M. A. Santos, J. Phys. A: Math. Gen. 26, 2317 (1993), 10.1088/0305-4470/26/10/006], where the flipping probability of a spin depends on the state of its neighbors and is given in terms of two parameters, x and y . x =0.5 andy =1 correspond to the conventional voter model which is purely interfacial noise driven, while x =1 and y =1 correspond to the Ising model, where coarsening is fully curvature driven. The coarsening phenomena for 0.5 0.5 ; the effect of x appears in altering the value of the parameter occurring in the scaling function only.

Kinetics of the reduction of bushveld complex chromite ore at 1416 °C

NASA Astrophysics Data System (ADS)

Soykan, O.; Eric, R. H.; King, R. P.

1991-12-01

The kinetics of the reduction of chromite ore from the LG-6 layer of the Bushveld Complex of the Transvaal in South Africa were studied at 1416 °C by the thermogravimetric analysis (TGA) technique. Spectroscopic graphite powder was employed as the reductant. The aim of this article is to present a kinetic model that satisfactorily describes the solid-state carbothermic reduction of chromite. A generalized rate model based on an ionic diffusion mechanism was developed. The model included the contribution of the interfacial area between partially reduced and unreduced zones in chromite particles and diffusion. The kinetic model described the process for degrees of reduction from 10 to 75 pet satisfactorily. It was observed that at a given particle size, the rate of reduction was controlled mainly by interfacial area up to about 40 pet reduction, after which the rate was dominated by diffusion. On the other hand, for a given degree of reduction, the contribution of the interfacial area to the rate increased, while that of diffusion decreased, with a decrease in the particle size. The value of the diffusion coefficient for the Fe2+ species at 1416 °C was calculated to be 2.63 x 10-2 cm2/s.

Evaluation of Interfacial Forces and Bubble-Induced Turbulence Using Direct Numerical Simulation

NASA Astrophysics Data System (ADS)

Feng, Jinyong

High fidelity prediction of multiphase flows is important in a wide range of engineering applications. While some multiphase flow scenarios can be successfully modeled, many questions remain unanswered regarding the interaction between the bubbles and the turbulence, and present significant challenges in the development of closure laws for the multiphase computational fluid dynamics (M-CFD) models. To address these challenges, we propose to evaluate the interfacial forces and bubble-induced turbulence in both laminar and turbulent flow field with direct numerical simulation (DNS) approach. Advanced finite-element based flow solver (PHASTA) with level-set interface tracking method is utilized for these studies. The proportional-integral-derivative (PID) controller is adopted to ensure the statistically steady state bubble position and perform the detailed study of the turbulent field around the bubble. Selected numerical capabilities and post-processing codes are developed to achieve the research goals. The interface tracking approach is verified and validated by comparing the interfacial forces with the experiment-based data and correlations. The sign change of transverse lift force is observed as the bubble becomes more deformable. A new correlation is proposed to predict the behavior of the drag coefficient over the wide range of conditions. The wall effect on the interfacial forces are also investigated. In homogeneous turbulent flow, the effect of bubble deformability, turbulent intensity and relative velocity on the bubble-induced turbulence are analyzed. The presented method and novel results will complement the experimental database, provide insight to the bubbleinduced turbulence mechanism and help the development of M-CFD closure models.

Nonlinear micromechanics-based finite element analysis of the interfacial behaviour of FRP-strengthened reinforced concrete beams

NASA Astrophysics Data System (ADS)

Abd El Baky, Hussien

This research work is devoted to theoretical and numerical studies on the flexural behaviour of FRP-strengthened concrete beams. The objectives of this research are to extend and generalize the results of simple experiments, to recommend new design guidelines based on accurate numerical tools, and to enhance our comprehension of the bond performance of such beams. These numerical tools can be exploited to bridge the existing gaps in the development of analysis and modelling approaches that can predict the behaviour of FRP-strengthened concrete beams. The research effort here begins with the formulation of a concrete model and development of FRP/concrete interface constitutive laws, followed by finite element simulations for beams strengthened in flexure. Finally, a statistical analysis is carried out taking the advantage of the aforesaid numerical tools to propose design guidelines. In this dissertation, an alternative incremental formulation of the M4 microplane model is proposed to overcome the computational complexities associated with the original formulation. Through a number of numerical applications, this incremental formulation is shown to be equivalent to the original M4 model. To assess the computational efficiency of the incremental formulation, the "arc-length" numerical technique is also considered and implemented in the original Bazant et al. [2000] M4 formulation. Finally, the M4 microplane concrete model is coded in FORTRAN and implemented as a user-defined subroutine into the commercial software package ADINA, Version 8.4. Then this subroutine is used with the finite element package to analyze various applications involving FRP strengthening. In the first application a nonlinear micromechanics-based finite element analysis is performed to investigate the interfacial behaviour of FRP/concrete joints subjected to direct shear loadings. The intention of this part is to develop a reliable bond--slip model for the FRP/concrete interface. The bond--slip relation is developed considering the interaction between the interfacial normal and shear stress components along the bonded length. A new approach is proposed to describe the entire tau-s relationship based on three separate models. The first model captures the shear response of an orthotropic FRP laminate. The second model simulates the shear characteristics of an adhesive layer, while the third model represents the shear nonlinearity of a thin layer inside the concrete, referred to as the interfacial layer. The proposed bond--slip model reflects the geometrical and material characteristics of the FRP, concrete, and adhesive layers. Two-dimensional and three-dimensional nonlinear displacement-controlled finite element (FE) models are then developed to investigate the flexural and FRP/concrete interfacial responses of FRP-strengthened reinforced concrete beams. The three-dimensional finite element model is created to accommodate cases of beams having FRP anchorage systems. Discrete interface elements are proposed and used to simulate the FRP/concrete interfacial behaviour before and after cracking. The FE models are capable of simulating the various failure modes, including debonding of the FRP either at the plate end or at intermediate cracks. Particular attention is focused on the effect of crack initiation and propagation on the interfacial behaviour. This study leads to an accurate and refined interpretation of the plate-end and intermediate crack debonding failure mechanisms for FRP-strengthened beams with and without FRP anchorage systems. Finally, the FE models are used to conduct a parametric study to generalize the findings of the FE analysis. The variables under investigation include two material characteristics; namely, the concrete compressive strength and axial stiffness of the FRP laminates as well as three geometric properties; namely, the steel reinforcement ratio, the beam span length and the beam depth. The parametric study is followed by a statistical analysis for 43 strengthened beams involving the five aforementioned variables. The response surface methodology (RSM) technique is employed to optimize the accuracy of the statistical models while minimizing the numbers of finite element runs. In particular, a face-centred design (FCD) is applied to evaluate the influence of the critical variables on the debonding load and debonding strain limits in the FRP laminates. Based on these statistical models, a nonlinear statistical regression analysis is used to propose design guidelines for the FRP flexural strengthening of reinforced concrete beams. (Abstract shortened by UMI.)

Nearshore Wave and Circulation Modelling

DTIC Science & Technology

1998-02-01

1995), "The unified Kadomtsev - Petviashvili equation for interfacial waves," J. Fluid Mech., 288, 383-408. Chen, Y. and Liu, P. L.-F. (1996), "On...modified Kadomtsev - Petviashvili equation for interfacial wave propagation near the critical depth level," Wave Motion (to appear). Cox, D. T. and Kobayashi...94-13. Chen, Y. and Liu, P.L.-F. (1995), "Numerical Study of the Unified Kadomtsev - Petviashvili Equation ," CACR-95-04. Chen, Y. and Liu, P.L.-F

Computational Study of Colloidal Droplet Interactions with Three Dimensional Structures

DTIC Science & Technology

2015-05-18

on the meshless SPH method for droplet impact on and sorption into a powder bed considering free surface flow above the powder bed surface ...considering free surface flow above the powder bed surface , infiltration of the liquid in the porous matrix, and the interfacial forces on the free moving...infiltration of the liquid in the porous matrix, and the interfacial forces on the free moving surface . The model has been used to study the effect of impact

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

Capacitive charge storage at an electrified interface investigated via direct first-principles simulations [Direct Simulation of Capacitive Charging of Graphene and Implications for Supercapacitor Design

DOE PAGES

Radin, Maxwell D.; Ogitsu, Tadashi; Biener, Juergen; ...

2015-03-11

Understanding the impact of interfacial electric fields on electronic structure is crucial to improving the performance of materials in applications based on charged interfaces. Supercapacitors store energy directly in the strong interfacial field between a solid electrode and a liquid electrolyte; however, the complex interplay between the two is often poorly understood, particularly for emerging low-dimensional electrode materials that possess unconventional electronic structure. Typical descriptions tend to neglect the specific electrode-electrolyte interaction, approximating the intrinsic “quantum capacitance” of the electrode in terms of a fixed electronic density of states. Instead, we introduce a more accurate first-principles approach for directly simulatingmore » charge storage in model capacitors using the effective screening medium method, which implicitly accounts for the presence of the interfacial electric field. Applying this approach to graphene supercapacitor electrodes, we find that results differ significantly from the predictions of fixed-band models, leading to improved consistency with experimentally reported capacitive behavior. The differences are traced to two key factors: the inhomogeneous distribution of stored charge due to poor electronic screening and interfacial contributions from the specific interaction with the electrolyte. Lastly, our results are used to revise the conventional definition of quantum capacitance and to provide general strategies for improving electrochemical charge storage, particularly in graphene and similar low-dimensional materials.« less

Effect of interfacial turbulence and accommodation coefficient on CFD predictions of pressurization and pressure control in cryogenic storage tank

NASA Astrophysics Data System (ADS)

Kassemi, Mohammad; Kartuzova, Olga

2016-03-01

Pressurization and pressure control in cryogenic storage tanks are to a large extent affected by heat and mass transport across the liquid-vapor interface. These mechanisms are, in turn, controlled by the kinetics of the phase change process and the dynamics of the turbulent recirculating flows in the liquid and vapor phases. In this paper, the effects of accommodation coefficient and interfacial turbulence on tank pressurization and pressure control simulations are examined. Comparison between numerical predictions and ground-based measurements in two large liquid hydrogen tank experiments, performed in the K-site facility at NASA Glenn Research Center (GRC) and the Multi-purpose Hydrogen Test Bed (MHTB) facility at NASA Marshall Space Flight Center (MSFC), are used to show the impact of accommodation coefficient and interfacial and vapor phase turbulence on evolution of pressure and temperatures in the cryogenic storage tanks. In particular, the self-pressurization comparisons indicate that: (1) numerical predictions are essentially independent of the magnitude of the accommodation coefficient; and (2) surprisingly, laminar models sometimes provide results that are in better agreement with experimental self-pressurization rates, even in parametric ranges where the bulk flow is deemed fully turbulent. In this light, shortcomings of the present CFD models, especially, numerical treatments of interfacial mass transfer and turbulence, as coupled to the Volume-of-Fluid (VOF) interface capturing scheme, are underscored and discussed.

Domain Nucleation Rates and Interfacial Line Tensions in Supported Bilayers of Ternary Mixtures Containing Galactosylceramide

PubMed Central

Blanchette, Craig D.; Lin, Wan-Chen; Orme, Christine A.; Ratto, Timothy V.; Longo, Marjorie L.

2008-01-01

Domains within the plane of the plasma membrane, referred to as membrane rafts, have been a topic of considerable interest in the field of membrane biophysics. Although model membrane systems have been used extensively to study lipid phase behavior as it relates to the existence of rafts, very little work has focused on either the initial stage of lipid domain nucleation, or the relevant physical parameters such as temperature and interfacial line tension which control nucleation. In this work, we utilize a method in which the kinetic process of lipid domain nucleation is imaged by atomic force microscopy and modeled using classical theory of nucleation to map interfacial line tension in ternary lipid mixtures. These mixtures consist of a fluid phase lipid component (1,2-dilauroyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, or 1,2-dioleoyl-sn-glycero-3-phosphocholine), a solid phase component (galactosylceramide), and cholesterol. Interfacial line tension measurements of galactosylceramide-rich domains track with our previously measured area/perimeter ratios and height mismatches measured here. Line tension also follows known trends in cholesterol interactions and partitioning, as we observed previously with area/perimeter ratios. Our line tension measurements are discussed in combination with recent line tension measurements to address line tension regulation by cholesterol and the dynamic nature of membrane rafts. PMID:18065459

A continuum damage model for delaminations in laminated composites

NASA Astrophysics Data System (ADS)

Zou, Z.; Reid, S. R.; Li, S.

2003-02-01

Delamination, a typical mode of interfacial damage in laminated composites, has been considered in the context of continuum damage mechanics in this paper. Interfaces where delaminations could occur are introduced between the constituent layers. A simple but appropriate continuum damage representation is proposed. A single scalar damage parameter is employed and the degradation of the interface stiffness is established. Use has been made of the concept of a damage surface to derive the damage evolution law. The damage surface is constructed so that it combines the conventional stress-based and fracture-mechanics-based failure criteria which take account of mode interaction in mixed-mode delamination problems. The damage surface shrinks as damage develops and leads to a softening interfacial constitutive law. By adjusting the shrinkage rate of the damage surface, various interfacial constitutive laws found in the literature can be reproduced. An incremental interfacial constitutive law is also derived for use in damage analysis of laminated composites, which is a non-linear problem in nature. Numerical predictions for problems involving a DCB specimen under pure mode I delamination and mixed-mode delamination in a split beam are in good agreement with available experimental data or analytical solutions. The model has also been applied to the prediction of the failure strength of overlap ply-blocking specimens. The results have been compared with available experimental and alternative theoretical ones and discussed fully.

Crack problems involving nonhomogeneous interfacial regions in bonded materials

NASA Technical Reports Server (NTRS)

Erdogan, F.

1990-01-01

Consideration is given to two classes of fracture-related solid mechanics problems in which the model leads to some physically anomalous results. The first is the interface crack problem associated with the debonding process in which the corresponding elasticity solution predicts severe oscillations of stresses and the crack surface displacements vary near the crack tip. The second deals with crack intersecting the interface. The nature of the solutions around the crack tips arising from these problems is reviewed. The rationale for introducing a new interfacial zone model is discussed, its analytical consequences within the context of the two crack-problem classes are described, and some examples are presented.

Stabilization of model beverage cloud emulsions using protein-polysaccharide electrostatic complexes formed at the oil-water interface.

PubMed

Harnsilawat, Thepkunya; Pongsawatmanit, Rungnaphar; McClements, David J

2006-07-26

The potential of utilizing interfacial complexes, formed through the electrostatic interactions of proteins and polysaccharides at oil-water interfaces, to stabilize model beverage cloud emulsions has been examined. These interfacial complexes were formed by mixing charged polysaccharides with oil-in-water emulsions containing oppositely charged protein-coated oil droplets. Model beverage emulsions were prepared that consisted of 0.1 wt % corn oil droplets coated by beta-lactoglobulin (beta-Lg), beta-Lg/alginate, beta-Lg/iota-carrageenan, or beta-Lg/gum arabic interfacial layers (pH 3 or 4). Stable emulsions were formed when the polysaccharide concentration was sufficient to saturate the protein-coated droplets. The emulsions were subjected to variations in pH (from 3 to 7), ionic strength (from 0 to 250 mM NaCl), and thermal processing (from 30 or 90 degrees C), and the influence on their stability was determined. The emulsions containing alginate and carrageenan had the best stability to ionic strength and thermal processing. This study shows that the controlled formation of protein-polysaccharide complexes at droplet surfaces may be used to produce stable beverage emulsions, which may have important implications for industrial applications.

Oil-water interfaces with surfactants: A systematic approach to determine coarse-grained model parameters

NASA Astrophysics Data System (ADS)

Vu, Tuan V.; Papavassiliou, Dimitrios V.

2018-05-01

In order to investigate the interfacial region between oil and water with the presence of surfactants using coarse-grained computations, both the interaction between different components of the system and the number of surfactant molecules present at the interface play an important role. However, in many prior studies, the amount of surfactants used was chosen rather arbitrarily. In this work, a systematic approach to develop coarse-grained models for anionic surfactants (such as sodium dodecyl sulfate) and nonionic surfactants (such as octaethylene glycol monododecyl ether) in oil-water interfaces is presented. The key is to place the theoretically calculated number of surfactant molecules on the interface at the critical micelle concentration. Based on this approach, the molecular description of surfactants and the effects of various interaction parameters on the interfacial tension are investigated. The results indicate that the interfacial tension is affected mostly by the head-water and tail-oil interaction. Even though the procedure presented herein is used with dissipative particle dynamics models, it can be applied for other coarse-grained methods to obtain the appropriate set of parameters (or force fields) to describe the surfactant behavior on the oil-water interface.

Flow-induced 2D protein crystallization: characterization of the coupled interfacial and bulk flows.

PubMed

Young, James E; Posada, David; Lopez, Juan M; Hirsa, Amir H

2015-05-14

Two-dimensional crystallization of the protein streptavidin, crystallizing below a biotinylated lipid film spread on a quiescent air-water interface is a well studied phenomenon. More recently, 2D crystallization induced by a shearing interfacial flow has been observed at film surface pressures significantly lower than those required in a quiescent system. Here, we quantify the interfacial and bulk flow associated with 2D protein crystallization through numerical modeling of the flow along with a Newtonian surface model. Experiments were conducted over a wide range of conditions resulting in a state diagram delineating the flow strength required to induce crystals for various surface pressures. Through measurements of the velocity profile at the air-water interface, we found that even in the cases where crystals are formed, the macroscopic flow at the interface is well described by the Newtonian model. However, the results show that even in the absence of any protein in the system, the viscous response of the biotinylated lipid film is complicated and strongly dependent on the strength of the flow. This observation suggests that the insoluble lipid film plays a key role in flow-induced 2D protein crystallization.

Interfacial contact stiffness of fractal rough surfaces.

PubMed

Zhang, Dayi; Xia, Ying; Scarpa, Fabrizio; Hong, Jie; Ma, Yanhong

2017-10-09

In this work we describe a theoretical model that predicts the interfacial contact stiffness of fractal rough surfaces by considering the effects of elastic and plastic deformations of the fractal asperities. We also develop an original test rig that simulates dovetail joints for turbo machinery blades, which can fine tune the normal contact load existing between the contacting surfaces of the blade root. The interfacial contact stiffness is obtained through an inverse identification method in which finite element simulations are fitted to the experimental results. Excellent agreement is observed between the contact stiffness predicted by the theoretical model and by the analogous experimental results. We demonstrate that the contact stiffness is a power law function of the normal contact load with an exponent α within the whole range of fractal dimension D(1 < D < 2). We also show that for 1 < D < 1.5 the Pohrt-Popov behavior (α = 1/(3 - D)) is valid, however for 1.5 < D < 2, the exponent α is different and equal to 2(D - 1)/D. The diversity between the model developed in the work and the Pohrt-Popov one is explained in detail.

Smoothed Particle Hydrodynamics: A consistent model for interfacial multiphase fluid flow simulations

NASA Astrophysics Data System (ADS)

Krimi, Abdelkader; Rezoug, Mehdi; Khelladi, Sofiane; Nogueira, Xesús; Deligant, Michael; Ramírez, Luis

2018-04-01

In this work, a consistent Smoothed Particle Hydrodynamics (SPH) model to deal with interfacial multiphase fluid flows simulation is proposed. A modification to the Continuum Stress Surface formulation (CSS) [1] to enhance the stability near the fluid interface is developed in the framework of the SPH method. A non-conservative first-order consistency operator is used to compute the divergence of stress surface tensor. This formulation benefits of all the advantages of the one proposed by Adami et al. [2] and, in addition, it can be applied to more than two phases fluid flow simulations. Moreover, the generalized wall boundary conditions [3] are modified in order to be well adapted to multiphase fluid flows with different density and viscosity. In order to allow the application of this technique to wall-bounded multiphase flows, a modification of generalized wall boundary conditions is presented here for using the SPH method. In this work we also present a particle redistribution strategy as an extension of the damping technique presented in [3] to smooth the initial transient phase of gravitational multiphase fluid flow simulations. Several computational tests are investigated to show the accuracy, convergence and applicability of the proposed SPH interfacial multiphase model.

Using growth and arrest of Richtmyer-Meshkov instabilities and Lagrangian simulations to study high-rate material strength

NASA Astrophysics Data System (ADS)

Prime, M. B.; Vaughan, D. E.; Preston, D. L.; Buttler, W. T.; Chen, S. R.; Oró, D. M.; Pack, C.

2014-05-01

Experiments applying a supported shock through mating surfaces (Atwood number = 1) with geometrical perturbations have been proposed for studying strength at strain rates up to 107/s using Richtmyer-Meshkov (RM) instabilities. Buttler et al. recently reported experimental results for RM instability growth in copper but with an unsupported shock applied by high explosives and the geometrical perturbations on the opposite free surface (Atwood number = -1). This novel configuration allowed detailed experimental observation of the instability growth and arrest. We present results and interpretation from numerical simulations of the Buttler RM instability experiments. Highly-resolved, two-dimensional simulations were performed using a Lagrangian hydrocode and the Preston-Tonks-Wallace (PTW) strength model. The model predictions show good agreement with the data. The numerical simulations are used to examine various assumptions previously made in an analytical model and to estimate the sensitivity of such experiments to material strength.

Analytical expression for Risken-Nummedal-Graham-Haken instability threshold in quantum cascade lasers.

PubMed

Vukovic, N; Radovanovic, J; Milanovic, V; Boiko, D L

2016-11-14

We have obtained a closed-form expression for the threshold of Risken-Nummedal-Graham-Haken (RNGH) multimode instability in a Fabry-Pérot (FP) cavity quantum cascade laser (QCL). This simple analytical expression is a versatile tool that can easily be applied in practical situations which require analysis of QCL dynamic behavior and estimation of its RNGH multimode instability threshold. Our model for a FP cavity laser accounts for the carrier coherence grating and carrier population grating as well as their relaxation due to carrier diffusion. In the model, the RNGH instability threshold is analyzed using a second-order bi-orthogonal perturbation theory and we confirm our analytical solution by a comparison with the numerical simulations. In particular, the model predicts a low RNGH instability threshold in QCLs. This agrees very well with experimental data available in the literature.

Molecular Mechanisms of Radiation-Induced Genomic Instability in Human Cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Howard L. Liber; Jeffrey L. Schwartz

2005-10-31

There are many different model systems that have been used to study chromosome instability. What is clear from all these studies is that conclusions concerning chromosome instability depend greatly on the model system and instability endpoint that is studied. The model system for our studies was the human B-lymphoblastoid cell line TK6. TK6 was isolated from a spontaneously immortalized lymphoblast culture. Thus there was no outside genetic manipulation used to immortalize them. TK6 is a relatively stable p53-normal immortal cell line (37). It shows low gene and chromosome mutation frequencies (19;28;31). Our general approach to studying instability in TK6 cellsmore » has been to isolate individual clones and analyze gene and chromosome mutation frequencies in each. This approach maximizes the possibility of detecting low frequency events that might be selected against in mass cultures.« less

Modeling Progressive Damage Using Local Displacement Discontinuities Within the FEAMAC Multiscale Modeling Framework

NASA Technical Reports Server (NTRS)

Ranatunga, Vipul; Bednarcyk, Brett A.; Arnold, Steven M.

2010-01-01

A method for performing progressive damage modeling in composite materials and structures based on continuum level interfacial displacement discontinuities is presented. The proposed method enables the exponential evolution of the interfacial compliance, resulting in unloading of the tractions at the interface after delamination or failure occurs. In this paper, the proposed continuum displacement discontinuity model has been used to simulate failure within both isotropic and orthotropic materials efficiently and to explore the possibility of predicting the crack path, therein. Simulation results obtained from Mode-I and Mode-II fracture compare the proposed approach with the cohesive element approach and Virtual Crack Closure Techniques (VCCT) available within the ABAQUS (ABAQUS, Inc.) finite element software. Furthermore, an eccentrically loaded 3-point bend test has been simulated with the displacement discontinuity model, and the resulting crack path prediction has been compared with a prediction based on the extended finite element model (XFEM) approach.

Phase space effects on fast ion distribution function modeling in tokamaks

NASA Astrophysics Data System (ADS)

Podestà, M.; Gorelenkova, M.; Fredrickson, E. D.; Gorelenkov, N. N.; White, R. B.

2016-05-01

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

Phase space effects on fast ion distribution function modeling in tokamaks

DOE Data Explorer

White, R. B. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Podesta, M. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Gorelenkova, M. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Fredrickson, E. D. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States); Gorelenkov, N. N. [Princeton Plasma Physics Lab. (PPPL), Princeton, NJ (United States)

2016-06-01

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions. The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.

Running interfacial waves in a two-layer fluid system subject to longitudinal vibrations.

PubMed

Goldobin, D S; Pimenova, A V; Kovalevskaya, K V; Lyubimov, D V; Lyubimova, T P

2015-05-01

We study the waves at the interface between two thin horizontal layers of immiscible fluids subject to high-frequency horizontal vibrations. Previously, the variational principle for energy functional, which can be adopted for treatment of quasistationary states of free interface in fluid dynamical systems subject to vibrations, revealed the existence of standing periodic waves and solitons in this system. However, this approach does not provide regular means for dealing with evolutionary problems: neither stability problems nor ones associated with propagating waves. In this work, we rigorously derive the evolution equations for long waves in the system, which turn out to be identical to the plus (or good) Boussinesq equation. With these equations one can find all the time-independent-profile solitary waves (standing solitons are a specific case of these propagating waves), which exist below the linear instability threshold; the standing and slow solitons are always unstable while fast solitons are stable. Depending on initial perturbations, unstable solitons either grow in an explosive manner, which means layer rupture in a finite time, or falls apart into stable solitons. The results are derived within the long-wave approximation as the linear stability analysis for the flat-interface state [D.V. Lyubimov and A.A. Cherepanov, Fluid Dynamics 21, 849 (1986)] reveals the instabilities of thin layers to be long wavelength.

Morphological instability of a thermophoretically growing deposit

NASA Technical Reports Server (NTRS)

Castillo, Jose L.; Garcia-Ybarra, Pedro L.; Rosner, Daniel E.

1992-01-01

The stability of the planar interface of a structureless solid growing from a depositing component dilute in a carrier fluid is studied when the main solute transport mechanism is thermal (Soret) diffusion. A linear stability analysis, carried out in the limit of low growth Peclet number, leads to a dispersion relation which shows that the planar front is unstable either when the thermal diffusion factor of the condensing component is positive and the latent heat release is small or when the thermal diffusion factor is negative and the solid grows over a thermally-insulating substrate. Furthermore, the influence of interfacial energy effects and constitutional supersaturation in the vicinity of the moving interface is analyzed in the limit of very small Schmidt numbers (small solute Fickian diffusion). The analysis is relevant to physical vapor deposition of very massive species on cold surfaces, as in recent experiments of organic solid film growth under microgravity conditions.

Emergence of polysaccharide membrane walls through macro-space partitioning via interfacial instability.

PubMed

Okeyoshi, Kosuke; Okajima, Maiko K; Kaneko, Tatsuo

2017-07-21

Living organisms in drying environments build anisotropic structures and exhibit directionality through self-organization of biopolymers. However, the process of macro-scale assembly is still unknown. Here, we introduce a dissipative structure through a non-equilibrium process between hydration and deposition in the drying of a polysaccharide liquid crystalline solution. By controlling the geometries of the evaporation front in a limited space, multiple nuclei emerge to grow vertical membrane walls with macroscopic orientation. Notably, the membranes are formed through rational orientation of rod-like microassemblies along the dynamic three-phase contact line. Additionally, in the non-equilibrium state, a dissipative structure is ultimately immobilized as a macroscopically partitioned space by multiple vertical membranes. We foresee that such oriented membranes will be applicable to soft biomaterials with direction controllability, and the macroscopic space partitionings will aid in the understanding of the space recognition ability of natural products under drying environments.

Transient response of nonideal ion-selective microchannel-nanochannel devices

NASA Astrophysics Data System (ADS)

Leibowitz, Neta; Schiffbauer, Jarrod; Park, Sinwook; Yossifon, Gilad

2018-04-01

We report evidence of variation in ion selectivity of a fabricated microchannel-nanochannel device resulting in the appearance of a distinct local maximum in the overlimiting chronopotentiometric response. In this system consisting of shallow microchannels joined by a nanochannel, viscous shear at the microchannel walls suppresses the electro-osmotic instability and prevents any associated contribution to the nonmonotonic response. Thus, this response is primarily electrodiffusive. Numerical simulations indicate that concentration polarization develops not only within the microchannel but also within the nanochannel itself, with a local voltage maximum in the chronopotentiometric response correlated with interfacial depletion and having the classic i-2 Sands time dependence. Furthermore, the occurrence of the local maxima is correlated with the change in selectivity due to internal concentration polarization. Understanding the transient nonideal permselective response is essential for obtaining fundamental insight and for optimizing efficient operation of practical fabricated nanofluidic and membrane devices.

Localized instabilities and spinodal decomposition in driven systems in the presence of elasticity

NASA Astrophysics Data System (ADS)

Meca, Esteban; Münch, Andreas; Wagner, Barbara

2018-01-01

We study numerically and analytically the instabilities associated with phase separation in a solid layer on which an external material flux is imposed. The first instability is localized within a boundary layer at the exposed free surface by a process akin to spinodal decomposition. In the limiting static case, when there is no material flux, the coherent spinodal decomposition is recovered. In the present problem, stability analysis of the time-dependent and nonuniform base states as well as numerical simulations of the full governing equations are used to establish the dependence of the wavelength and onset of the instability on parameter settings and its transient nature as the patterns eventually coarsen into a flat moving front. The second instability is related to the Mullins-Sekerka instability in the presence of elasticity and arises at the moving front between the two phases when the flux is reversed. Stability analyses of the full model and the corresponding sharp-interface model are carried out and compared. Our results demonstrate how interface and bulk instabilities can be analyzed within the same framework which allows us to identify and distinguish each of them clearly. The relevance for a detailed understanding of both instabilities and their interconnections in a realistic setting is demonstrated for a system of equations modeling the lithiation and delithiation processes within the context of lithium ion batteries.

Stress transfer of a Kevlar 49 fiber pullout test studied by micro-Raman spectroscopy.

PubMed

Lei, Zhenkun; Wang, Quan; Qiu, Wei

2013-06-01

The interfacial stress transfer behavior of a Kevlar 49 aramid fiber-epoxy matrix was studied with fiber pullout tests, the fibers of which were stretched by a homemade microloading device. Raman spectra on the embedded fiber were recorded by micro-Raman spectroscopy, under different strain levels. Then, the fiber axial stress was obtained by the relationship between the stress and Raman shift of the aramid fiber. Experimental results revealed that the fiber axial stress increased significantly with the load. The shear stress concentration occurred at the fiber entry to the epoxy resin. Thus, interfacial friction stages exist in the debonded fiber segment, and the interfacial friction shear stress is constant within one stage. The experimental results are consistent with the theoretical model predictions.

Formation of Outer Planets: Overview

NASA Technical Reports Server (NTRS)

Lissauer, Jack

2003-01-01

An overview of current theories of planetary formation, with emphasis on giant planets is presented. The most detailed models are based upon observation of our own Solar System and of young stars and their environments. Terrestrial planets are believe to grow via pairwise accretion until the spacing of planetary orbits becomes large enough that the configuration is stable for the age of the system. According to the prevailing core instability model, giant planets begin their growth by the accumulation of small solid bodies, as do terrestrial planets. However, unlike terrestrial planets, the growing giant cores become massive enough that they are able to accumulate substantial amounts of gas before the protoplanetary disk disspates. The primary questions regarding the core instability model is whether planets with small cores can accrete gaseous enveloples within the lifetimes of gaseous protoplanetary disks. The main alternative giant planet formation model is the disk instability model, in which gaseous planets form directly via gravitational instabilities within protoplanetary disks. Formation of giant planets via gas instability has never been demonstrated for realistic disk conditions. Moreover, this model has difficulty explaining the supersolar abundances of heavy elements in Jupiter and Saturn, and it does not explain the orgin of planets like Uranus and Neptune.

Dynamic interfacial properties of human tear-lipid films and their interactions with model-tear proteins in vitro.

PubMed

Svitova, Tatyana F; Lin, Meng C

2016-07-01

This review summarizes the current state of knowledge regarding interfacial properties of very complex biological colloids, specifically, human meibum and tear lipids, and their interactions with proteins similar to the proteins found in aqueous part of human tears. Tear lipids spread as thin films over the surface of tear-film aqueous and play crucial roles in tear-film stability and overall ocular-surface health. The vast majority of papers published to date report interfacial properties of meibum-lipid monolayers spread on various aqueous sub-phases, often containing model proteins, in Langmuir trough. However, it is well established that natural human ocular tear lipids exist as multilayered films with a thickness between 30 and 100nm, that is very much disparate from 1 to 2nm thick meibum monolayers. We employed sessile-bubble tensiometry to study the dynamic interfacial and rheological properties of reconstituted multilayered human tear-lipid films. Small amounts (0.5-1μg) of human tear lipids were deposited on an air-bubble surface to produce tear-lipid films in thickness range 30-100nm corresponding to ocular lipid films. Thus, we were able to overcome major Langmuir-trough method limitations because ocular tear lipids can be safely harvested only in minute, sub-milligram quantities, insufficient for Langmuir through studies. Sessile-bubble method is demonstrated to be a versatile tool for assessing conventional synthetic surfactants adsorption/desorption dynamics at an air-aqueous solution interface. (Svitova T., Weatherbee M., Radke C.J. Dynamics of surfactant sorption at the air/water interface: continuous-flow tensiometry. J. Colloid Interf. Sci. 2003;261:1170-179). The augmented flow-sessile-bubble setup, with step-strain relaxation module for dynamic interfacial rheological properties and high-precision syringe pump to generate larger and slow interfacial area expansions-contractions, was developed and employed in our studies. We established that this method is uniquely suitable for examination of multilayered lipid-film interfacial properties. Recently it was compellingly proven that chemical composition of human tear lipids extracted from whole tears is substantially different from that of meibum lipids. To be exact, healthy human tear lipids contain 8-16% of polar lipids, similar to lung lipids, and they are mostly double-tailed phospholipids, with C16 and longer alkyl chains. Rationally, one would assume that the results obtained for meibum lipids, devoid of surface-active components such as phospholipids, and, above all, in a form of monolayers, are not pertinent or useful for elucidating behavior and stability of an averaged 60-nm thick ocular tear-lipid films in vivo. The advantage of sessile-bubble technique, specifically, using a small amount of lipids required to attain multilayered films, unlocks the prospect of evaluating and comparing the interfacial properties of human tear lipids collected from a single individual, typically 100-150μg. This is in sharp contrast with several milligrams of lipids that would be required to build equally thick films for Langmuir-trough experiments. The results of our studies provided in-depth understanding of the mechanisms responsible for properties and stability of human tear-lipid films in vivo. Here we summarize recent publications and our latest findings regarding human tear-lipid interfacial properties, their chemical composition, and their interaction with model proteins mimicking the proteins found in human tear-aqueous phase. Published by Elsevier B.V.

Cosmological Signature of the Standard Model Higgs Vacuum Instability: Primordial Black Holes as Dark Matter.

PubMed

Espinosa, J R; Racco, D; Riotto, A

2018-03-23

For the current central values of the Higgs boson and top quark masses, the standard model Higgs potential develops an instability at a scale of the order of 10^{11}  GeV. We show that a cosmological signature of such instability could be dark matter in the form of primordial black holes seeded by Higgs fluctuations during inflation. The existence of dark matter might not require physics beyond the standard model.

Polarization Signatures of Kink Instabilities in the Blazar Emission Region from Relativistic Magnetohydrodynamic Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Haocheng; Taylor, Greg; Li, Hui

Kink instabilities are likely to occur in the current-carrying magnetized plasma jets. Recent observations of the blazar radiation and polarization signatures suggest that the blazar emission region may be considerably magnetized. While the kink instability has been studied with first-principle magnetohydrodynamic (MHD) simulations, the corresponding time-dependent radiation and polarization signatures have not been investigated. In this paper, we perform comprehensive polarization-dependent radiation modeling of the kink instability in the blazar emission region based on relativistic MHD (RMHD) simulations. We find that the kink instability may give rise to strong flares with polarization angle (PA) swings or weak flares with polarizationmore » fluctuations, depending on the initial magnetic topology and magnetization. These findings are consistent with observations. Compared with the shock model, the kink model generates polarization signatures that are in better agreement with the general polarization observations. Therefore, we suggest that kink instabilities may widely exist in the jet environment and provide an efficient way to convert the magnetic energy and produce multiwavelength flares and polarization variations.« less

Polarization Signatures of Kink Instabilities in the Blazar Emission Region from Relativistic Magnetohydrodynamic Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Haocheng; Li, Hui; Guo, Fan

Kink instabilities are likely to occur in the current-carrying magnetized plasma jets. Recent observations of the blazar radiation and polarization signatures suggest that the blazar emission region may be considerably magnetized. While the kink instability has been studied with first-principle magnetohydrodynamic (MHD) simulations, the corresponding time-dependent radiation and polarization signatures have not been investigated. Here, in this paper, we perform comprehensive polarization-dependent radiation modeling of the kink instability in the blazar emission region based on relativistic MHD (RMHD) simulations. We find that the kink instability may give rise to strong flares with polarization angle (PA) swings or weak flares withmore » polarization fluctuations, depending on the initial magnetic topology and magnetization. These findings are consistent with observations. In addition, compared with the shock model, the kink model generates polarization signatures that are in better agreement with the general polarization observations. Therefore, we suggest that kink instabilities may widely exist in the jet environment and provide an efficient way to convert the magnetic energy and produce multiwavelength flares and polarization variations.« less

Interfacial free energy and stiffness of aluminum during rapid solidification

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculationmore » of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.« less

Interfacial free energy and stiffness of aluminum during rapid solidification

DOE PAGES

Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

2017-05-01

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculationmore » of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.« less

Moisture effect on interfacial integrity of epoxy-bonded system: a hierarchical approach

NASA Astrophysics Data System (ADS)

Tam, Lik-ho; Lun Chow, Cheuk; Lau, Denvid

2018-01-01

The epoxy-bonded system has been widely used in various applications across different scale lengths. Prior investigations have indicated that the moisture-affected interfacial debonding is the major failure mode of such a system, but the fundamental mechanism remains unknown, such as the basis for the invasion of water molecules in the cross-linked epoxy and the epoxy-bonded interface. This prevents us from predicting the long-term performance of the epoxy-related applications under the effect of the moisture. Here, we use full atomistic models to investigate the response of the epoxy-bonded system towards the adhesion test, and provide a detailed analysis of the interfacial integrity under the moisture effect and the associated debonding mechanism. Molecular dynamics simulations show that water molecules affect the hierarchical structure of the epoxy-bonded system at the nanoscale by disrupting the film-substrate interaction and the molecular interaction within the epoxy, which leads to the detachment of the epoxy thin film, and the final interfacial debonding. The simulation results show good agreement with the experimental results of the epoxy-bonded system. Through identifying the relationship between the epoxy structure and the debonding mechanism at multiple scales, it is shown that the hierarchical structure of the epoxy-bonded system is crucial for the interfacial integrity. In particular, the available space of the epoxy-bonded system, which consists of various sizes ranging from the atomistic scale to the macroscale and is close to the interface facilitates the moisture accumulation, leading to a distinct interfacial debonding when compared to the dry scenario.

Monte Carlo studies on the interfacial properties and interfacial structures of ternary symmetric blends with gradient copolymers.

PubMed

Sun, Dachuan; Guo, Hongxia

2012-08-09

Using Monte Carlo simulation methods, the effects of the comonomer sequence distribution on the interfacial properties (including interfacial tension, interfacial thickness, saturated interfacial area per copolymer, and bending modulus) and interfacial structures (including chain conformations and comonomer distributions of the simulated copolymers at the interfaces) of a ternary symmetric blend containing two immiscible homopolymers and one gradient copolymer are investigated. We find that copolymers with a larger composition gradient width have a broader comonomer distribution along the interface normal, and hence more pronouncedly enlarge the interfacial thickness and reduce the interfacial tension. Furthermore, the counteraction effect, which arises from the tendency of heterogeneous segments in gradient copolymers to phase separate and enter their miscible phases to reduce the local enthalpy, decreases the stretching of copolymers along the interface normal direction. As a result, copolymers with a larger width of gradient composition can occupy a larger interfacial area and form softer monolayers at saturation and are more efficient in facilitating the formation of bicontinuous microemulsions. Additionally, chain length ratio, segregation strength, and interactions between homopolymers and copolymers can alter the interfacial character of gradient copolymers. There exists a strong coupling between the comonomer sequence distribution, chain conformation, and interfacial properties. Especially, bending modulus is mainly determined by the complicated interplay of interfacial copolymer density and interfacial chain conformation.

Kinetic water-bag model of global collisional drift waves and ion temperature gradient instabilities in cylindrical geometry

NASA Astrophysics Data System (ADS)

Gravier, E.; Plaut, E.

2013-04-01

Collisional drift waves and ion temperature gradient (ITG) instabilities are studied using a linear water-bag kinetic model [P. Morel et al., Phys. Plasmas 14, 112109 (2007)]. An efficient spectral method, already validated in the case of drift waves instabilities [E. Gravier et al., Eur. Phys. J. D 67, 7 (2013)], allows a fast solving of the global linear problem in cylindrical geometry. The comparison between the linear ITG instability properties thus computed and the ones given by the COLUMBIA experiment [R. G. Greaves et al., Plasma Phys. Controlled Fusion 34, 1253 (1992)] shows a qualitative agreement. Moreover, the transition between collisional drift waves and ITG instabilities is studied theoretically as a function of the ion temperature profile.

Superconductivity, phase separation, and charge-transfer instability in the U = infinity limit of the three-band model of the CuO sub 2 planes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grilli, M.; Raimondi, R.; Castellani, C.

1991-07-08

The {ital U}={infinity} limit of the three-band Hubbard model with nearest-neighbor repulsion {ital V} is studied using the slave-boson approach and the large-{ital N} expansion technique to order 1/{ital N}. A charge-transfer instability is found as in weak-coupling theory. The charge-transfer instability is always associated with a diverging compressibility leading to a phase separation. Near the phase-separation, charge-transfer-instability region we find superconducting instabilities in the {ital s}- and {ital d}-wave channel. The requirement for superconductivity is that {ital V} be on the scale of the Cu-O hopping as suggested by Varma, Schmitt-Rink, and Abrahams.

Effects of subsurface ocean dynamics on instability waves in the tropical Pacific

NASA Astrophysics Data System (ADS)

Lawrence, Sean P.; Allen, Myles R.; Anderson, David L. T.; Llewellyn-Jones, David T.

1998-08-01

Tropical instability waves in a primitive equation model of the tropical Pacific Ocean, forced with analyzed wind stresses updated daily, show unexpectedly close phase correspondence with observation through the latter half of 1992. This suggests that these waves are not pure instabilities developing from infinitesimal disturbances, but that their phases and phase speeds are at least partially determined by the wind stress forcing. To quantify and explain this observation, we perfomed several numerical experiments, which indicate that remotely forced Rossby waves can influence both the phase and phase speed of tropical instability waves. We suggest that a remote wind forcing determines the high model/observation phase correspondence of tropical instability waves through a relatively realistic simulation of equatorial Kelvin and Rossby wave activity.

Role of oxygen functional groups for structure and dynamics of interfacial water on low rank coal surface: a molecular dynamics simulation

NASA Astrophysics Data System (ADS)

You, Xiaofang; Wei, Hengbin; Zhu, Xianchang; Lyu, Xianjun; Li, Lin

2018-07-01

Molecular dynamics simulations were employed to study the effects of oxygen functional groups for structure and dynamics properties of interfacial water molecules on the subbituminous coal surface. Because of complex composition and structure, the graphite surface modified by hydroxyl, carboxyl and carbonyl groups was used to represent the surface model of subbituminous coal according to XPS results, and the composing proportion for hydroxyl, carbonyl and carboxyl is 25:3:5. The hydration energy with -386.28 kJ/mol means that the adsorption process between water and coal surface is spontaneous. Density profiles for oxygen atoms and hydrogen atoms indicate that the coal surface properties affect the structural and dynamic characteristics of the interfacial water molecules. The interfacial water exhibits much more ordering than bulk water. The results of radial distribution functions, mean square displacement and local self-diffusion coefficient for water molecule related to three oxygen moieties confirmed that the water molecules prefer to absorb with carboxylic groups, and adsorption of water molecules at the hydroxyl and carbonyl is similar.

Investigation of thermal energy transport interface of hybrid graphene-carbon nanotube/polyethylene nanocomposites.

PubMed

Liu, Feng; Liu, Xuyang; Hu, Ning; Ning, Huiming; Atobe, Satoshi; Yan, Cheng; Mo, Fuhao; Fu, Shaoyun; Zhang, Jianyu; Wang, Yu; Mu, Xiaojing

2017-10-31

It is well known the thermal properties of three-dimensional (3-D) hybrid graphene (GR)-carbon nanotube (CNT) structures are not superior to that of the individual GR and CNT, however, the 3-D hybrid GR-CNT structures can effectively improve the thermal properties of polymer matrix. Therefore, understanding the thermal energy transport in the interface between polymer matrix and 3-D hybrid GR-CNT structure is essential. Here, the enhancement mechanism of interfacial thermal transport of hybrid GR-CNT structure was explored by applying non-equilibrium molecular dynamics (NEMD) simulations. Three different types of hybrid GR-CNT structures were built. The influences of CNT radius and CNT type for the hybrid GR-CNT on the interfacial thermal properties were also analyzed. Computational results show that among the three different types of hybrid GR-CNT structures, the Model-I, i.e., the covalent bond hybrid GR-CNT structures are of the best interfacial thermal properties. Meanwhile, the CNT radius of hybrid GR-CNT structure has a great influence on the interfacial thermal properties.

Interfacial Symmetry Control of Emergent Ferromagnetism

NASA Astrophysics Data System (ADS)

Grutter, Alexander; Borchers, Julie; Kirby, Brian; He, Chunyong; Arenholz, Elke; Vailionis, Arturas; Flint, Charles; Suzuki, Yuri

Atomically precise complex oxide heterostructures provide model systems for the discovery of new emergent phenomena since their magnetism, structure and electronic properties are strongly coupled. Octahedral tilts and rotations have been shown to alter the magnetic properties of complex oxide heterostructures, but typically induce small, gradual magnetic changes. Here, we demonstrate sharp switching between ferromagnetic and antiferromagnetic order at the emergent ferromagnetic interfaces of CaRuO3/CaMnO3 superlattices. Through synchrotron X-ray diffraction and neutron reflectometry, we show that octahedral distortions in superlattices with an odd number of CaMnO3 unit cells in each layer are symmetry mismatched across the interface. In this case, the rotation symmetry switches across the interface, reducing orbital overlap, suppressing charge transfer from Ru to Mn, and disrupting the interfacial double exchange. This disruption switches half of the interfaces from ferromagnetic to antiferromagnetic and lowers the saturation magnetic of the superlattice from 1.0 to 0.5 μB/interfacial Mn. By targeting a purely interfacial emergent magnetic system, we achieve drastic alterations to the magnetic ground state with extremely small changes in layer thickness.

Parametric Instability of Static Shafts-Disk System Using Finite Element Method

NASA Astrophysics Data System (ADS)

Wahab, A. M.; Rasid, Z. A.; Abu, A.

2017-10-01

Parametric instability condition is an important consideration in design process as it can cause failure in machine elements. In this study, parametric instability behaviour was studied for a simple shaft and disk system that was subjected to axial load under pinned-pinned boundary condition. The shaft was modelled based on the Nelson’s beam model, which considered translational and rotary inertias, transverse shear deformation and torsional effect. The Floquet’s method was used to estimate the solution for Mathieu equation. Finite element codes were developed using MATLAB to establish the instability chart. The effect of additional disk mass on the stability chart was investigated for pinned-pinned boundary conditions. Numerical results and illustrative examples are given. It is found that the additional disk mass decreases the instability region during static condition. The location of the disk as well has significant effect on the instability region of the shaft.

Real-time measurements of spontaneous breathers and rogue wave events in optical fibre modulation instability

PubMed Central

Närhi, Mikko; Wetzel, Benjamin; Billet, Cyril; Toenger, Shanti; Sylvestre, Thibaut; Merolla, Jean-Marc; Morandotti, Roberto; Dias, Frederic; Genty, Goëry; Dudley, John M.

2016-01-01

Modulation instability is a fundamental process of nonlinear science, leading to the unstable breakup of a constant amplitude solution of a physical system. There has been particular interest in studying modulation instability in the cubic nonlinear Schrödinger equation, a generic model for a host of nonlinear systems including superfluids, fibre optics, plasmas and Bose–Einstein condensates. Modulation instability is also a significant area of study in the context of understanding the emergence of high amplitude events that satisfy rogue wave statistical criteria. Here, exploiting advances in ultrafast optical metrology, we perform real-time measurements in an optical fibre system of the unstable breakup of a continuous wave field, simultaneously characterizing emergent modulation instability breather pulses and their associated statistics. Our results allow quantitative comparison between experiment, modelling and theory, and are expected to open new perspectives on studies of instability dynamics in physics. PMID:27991513

DOE Office of Scientific and Technical Information (OSTI.GOV)

Podestà, M., E-mail: mpodesta@pppl.gov; Gorelenkova, M.; Fredrickson, E. D.

Integrated simulations of tokamak discharges typically rely on classical physics to model energetic particle (EP) dynamics. However, there are numerous cases in which energetic particles can suffer additional transport that is not classical in nature. Examples include transport by applied 3D magnetic perturbations and, more notably, by plasma instabilities. Focusing on the effects of instabilities, ad-hoc models can empirically reproduce increased transport, but the choice of transport coefficients is usually somehow arbitrary. New approaches based on physics-based reduced models are being developed to address those issues in a simplified way, while retaining a more correct treatment of resonant wave-particle interactions.more » The kick model implemented in the tokamak transport code TRANSP is an example of such reduced models. It includes modifications of the EP distribution by instabilities in real and velocity space, retaining correlations between transport in energy and space typical of resonant EP transport. The relevance of EP phase space modifications by instabilities is first discussed in terms of predicted fast ion distribution. Results are compared with those from a simple, ad-hoc diffusive model. It is then shown that the phase-space resolved model can also provide additional insight into important issues such as internal consistency of the simulations and mode stability through the analysis of the power exchanged between energetic particles and the instabilities.« less

Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lei, Huan; Baker, Nathan A.; Wu, Lei

2016-08-05

Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for both bulk hydrodynamics and interfacial fluctuations. Interfacial surface tension is modeled by imposing a pairwise force between SDPD particles. We show that the relationship between the model parameters and surface tension, previously derived under the assumption of zero thermal fluctuation, is accurate for fluid systems at low temperature but overestimates the surface tension for intermediate and large thermal fluctuations. To analyze the effect of thermal fluctuations on surface tension,more » we construct a coarse-grained Euler lattice model based on the mean field theory and derive a semi-analytical formula to directly relate the surface tension to model parameters for a wide range of temperatures and model resolutions. We demonstrate that the present method correctly models the dynamic processes, such as bubble coalescence and capillary spectra across the interface.« less

A molecular dynamics study of polymer/graphene interfacial systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rissanou, Anastassia N.; Harmandaris, Vagelis

2014-05-15

Graphene based polymer nanocomposites are hybrid materials with a very broad range of technological applications. In this work, we study three hybrid polymer/graphene interfacial systems (polystyrene/graphene, poly(methyl methacrylate)/graphene and polyethylene/graphene) through detailed atomistic molecular dynamics (MD) simulations. Density profiles, structural characteristics and mobility aspects are being examined at the molecular level for all model systems. In addition, we compare the properties of the hybrid systems to the properties of the corresponding bulk ones, as well as to theoretical predictions.

A discontinuous Poisson-Boltzmann equation with interfacial jump: homogenisation and residual error estimate.

PubMed

Fellner, Klemens; Kovtunenko, Victor A

2016-01-01

A nonlinear Poisson-Boltzmann equation with inhomogeneous Robin type boundary conditions at the interface between two materials is investigated. The model describes the electrostatic potential generated by a vector of ion concentrations in a periodic multiphase medium with dilute solid particles. The key issue stems from interfacial jumps, which necessitate discontinuous solutions to the problem. Based on variational techniques, we derive the homogenisation of the discontinuous problem and establish a rigorous residual error estimate up to the first-order correction.

Comparative Analysis of the Reinforcement of Polymers with 2D-Nanofillers: Organoclay and Boron Nitride

NASA Astrophysics Data System (ADS)

Kozlov, G. V.; Kuvshinova, S. A.; Dolbin, I. V.; Koifman, O. I.

2018-03-01

Using the percolation reinforcement model, it has been shown that the main factor governing the degree of reinforcement of polymer/2D-nanofiller composites is the ability of a nanofiller to generate interfacial regions. This parameter is interrelated with two fundamental structural characteristics of a nanocomposite, i.e., the fractal dimension of its structure and the content of polymer matrix/nanofiller interfacial surfaces. The negative effect of high nanofiller anisotropy on the elasticity modulus of a nanocomposite is demonstrated.

On the stabilization of viscoelastic laminated beams with interfacial slip

NASA Astrophysics Data System (ADS)

Mustafa, Muhammad I.

2018-04-01

In this paper, we consider a viscoelastic laminated beam model. This structure is given by two identical uniform layers on top of each other, taking into account that an adhesive of small thickness is bonding the two surfaces and produces an interfacial slip. We use viscoelastic damping with general assumptions on the relaxation function and establish explicit energy decay result from which we can recover the optimal exponential and polynomial rates. Our result generalizes the earlier related results in the literature.

Active Control of High Frequency Combustion Instability in Aircraft Gas-Turbine Engines

NASA Technical Reports Server (NTRS)

Corrigan, Bob (Technical Monitor); DeLaat, John C.; Chang, Clarence T.

2003-01-01

Active control of high-frequency (greater than 500 Hz) combustion instability has been demonstrated in the NASA single-nozzle combustor rig at United Technologies Research Center. The combustor rig emulates an actual engine instability and has many of the complexities of a real engine combustor (i.e. actual fuel nozzle and swirler, dilution cooling, etc.) In order to demonstrate control, a high-frequency fuel valve capable of modulating the fuel flow at up to 1kHz was developed. Characterization of the fuel delivery system was accomplished in a custom dynamic flow rig developed for that purpose. Two instability control methods, one model-based and one based on adaptive phase-shifting, were developed and evaluated against reduced order models and a Sectored-1-dimensional model of the combustor rig. Open-loop fuel modulation testing in the rig demonstrated sufficient fuel modulation authority to proceed with closed-loop testing. During closed-loop testing, both control methods were able to identify the instability from the background noise and were shown to reduce the pressure oscillations at the instability frequency by 30%. This is the first known successful demonstration of high-frequency combustion instability suppression in a realistic aero-engine environment. Future plans are to carry these technologies forward to demonstration on an advanced low-emission combustor.

Universal model of bias-stress-induced instability in inkjet-printed carbon nanotube networks field-effect transistors

NASA Astrophysics Data System (ADS)

Jung, Haesun; Choi, Sungju; Jang, Jun Tae; Yoon, Jinsu; Lee, Juhee; Lee, Yongwoo; Rhee, Jihyun; Ahn, Geumho; Yu, Hye Ri; Kim, Dong Myong; Choi, Sung-Jin; Kim, Dae Hwan

2018-02-01

We propose a universal model for bias-stress (BS)-induced instability in the inkjet-printed carbon nanotube (CNT) networks used in field-effect transistors (FETs). By combining two experimental methods, i.e., a comparison between air and vacuum BS tests and interface trap extraction, BS instability is explained regardless of either the BS polarity or ambient condition, using a single platform constituted by four key factors: OH- adsorption/desorption followed by a change in carrier concentration, electron concentration in CNT channel corroborated with H2O/O2 molecules in ambient, charge trapping/detrapping, and interface trap generation. Under negative BS (NBS), the negative threshold voltage shift (ΔVT) is dominated by OH- desorption, which is followed by hole trapping in the interface and/or gate insulator. Under positive BS (PBS), the positive ΔVT is dominated by OH- adsorption, which is followed by electron trapping in the interface and/or gate insulator. This instability is compensated by interface trap extraction; PBS instability is slightly more complicated than NBS instability. Furthermore, our model is verified using device simulation, which gives insights on how much each mechanism contributes to BS instability. Our result is potentially useful for the design of highly stable CNT-based flexible circuits in the Internet of Things wearable healthcare era.

Three-Dimensional Visualization of Interfacial Phenomena Using Confocal Microscopy

NASA Astrophysics Data System (ADS)

Shieh, Ian C.

Surfactants play an integral role in numerous functions ranging from stabilizing the emulsion in a favorite salad dressing to organizing the cellular components that make life possible. We are interested in lung surfactant, which is a mixture of lipids and proteins essential for normal respiration because it modulates the surface tension of the air-liquid interface of the thin fluid lining in the lungs. Through this surface tension modulation, lung surfactant ensures effortless lung expansion and prevents lung collapse during exhalation, thereby effecting proper oxygenation of the bloodstream. The function of lung surfactant, as well as numerous interfacial lipid systems, is not solely dictated by the behavior of materials confined to the two-dimensional interface. Rather, the distributions of materials in the liquid subphase also greatly influence the performance of interfacial films of lung surfactant. Therefore, to better understand the behavior of lung surfactant and other interfacial lipid systems, we require a three-dimensional characterization technique. In this dissertation, we have developed a novel confocal microscopy methodology for investigating the interfacial phenomena of surfactants at the air-liquid interface of a Langmuir trough. Confocal microscopy provides the excellent combination of in situ, fast, three-dimensional visualization of multiple components of the lung surfactant system that other characterization techniques lack. We detail the solutions to the numerous challenges encountered when imaging a dynamic air-liquid interface with a high-resolution technique like confocal microscopy. We then use confocal microscopy to elucidate the distinct mechanisms by which a polyelectrolyte (chitosan) and nonadsorbing polymer (polyethylene glycol) restore the function of lung surfactant under inhibitory conditions mimicking the effects of lung trauma. Beyond this physiological model, we also investigate several one- and two-component interfacial films of the various lipid constituents of lung surfactant. Confocal microscopy allows us to use a water-soluble, cationic fluorophore that partitions into the disordered phases of lipid monolayers. By exploiting the properties of this water-soluble fluorophore, we investigate both the phase behavior and electrostatics of the interfacial lipid systems. Overall, we believe the work presented in this dissertation provides the building blocks for establishing confocal microscopy as a ubiquitous characterization technique in the interfacial and surface sciences.

Studies of Plasma Instabilities using Unstructured Discontinuous Galerkin Method with the Two-Fluid Plasma Model

NASA Astrophysics Data System (ADS)

Song, Yang; Srinivasan, Bhuvana

2017-10-01

The discontinuous Galerkin (DG) method has the advantage of resolving shocks and sharp gradients that occur in neutral fluids and plasmas. An unstructured DG code has been developed in this work to study plasma instabilities using the two-fluid plasma model. Unstructured meshes are known to produce small and randomized grid errors compared to traditional structured meshes. Computational tests for Rayleigh-Taylor instabilities in radially-converging flows are performed using the MHD model. Choice of grid geometry is not obvious for simulations of instabilities in these circular configurations. Comparisons of the effects for different grids are made. A 2D magnetic nozzle simulation using the two-fluid plasma model is also performed. A vacuum boundary condition technique is applied to accurately solve the Riemann problem on the edge of the plume.

Some effects of horizontal discretization on linear baroclinic and symmetric instabilities

NASA Astrophysics Data System (ADS)

Barham, William; Bachman, Scott; Grooms, Ian

2018-05-01

The effects of horizontal discretization on linear baroclinic and symmetric instabilities are investigated by analyzing the behavior of the hydrostatic Eady problem in ocean models on the B and C grids. On the C grid a spurious baroclinic instability appears at small wavelengths. This instability does not disappear as the grid scale decreases; instead, it simply moves to smaller horizontal scales. The peak growth rate of the spurious instability is independent of the grid scale as the latter decreases. It is equal to cf /√{Ri} where Ri is the balanced Richardson number, f is the Coriolis parameter, and c is a nondimensional constant that depends on the Richardson number. As the Richardson number increases c increases towards an upper bound of approximately 1/2; for large Richardson numbers the spurious instability is faster than the Eady instability. To suppress the spurious instability it is recommended to use fourth-order centered tracer advection along with biharmonic viscosity and diffusion with coefficients (Δx) 4 f /(32√{Ri}) or larger where Δx is the grid scale. On the B grid, the growth rates of baroclinic and symmetric instabilities are too small, and converge upwards towards the correct values as the grid scale decreases; no spurious instabilities are observed. In B grid models at eddy-permitting resolution, the reduced growth rate of baroclinic instability may contribute to partially-resolved eddies being too weak. On the C grid the growth rate of symmetric instability is better (larger) than on the B grid, and converges upwards towards the correct value as the grid scale decreases.

Finite volume solution for two-phase flow in a straight capillary

NASA Astrophysics Data System (ADS)

Yelkhovsky, Alexander; Pinczewski, W. Val

2018-04-01

The problem of two-phase flow in straight capillaries of polygonal cross section displays many of the dynamic characteristics of rapid interfacial motions associated with pore-scale displacements in porous media. Fluid inertia is known to be important in these displacements but is usually ignored in network models commonly used to predict macroscopic flow properties. This study presents a numerical model for two-phase flow which describes the spatial and temporal evolution of the interface between the fluids. The model is based on an averaged Navier-Stokes equation and is shown to be successful in predicting the complex dynamics of both capillary rise in round capillaries and imbibition along the corners of polygonal capillaries. The model can form the basis for more realistic network models which capture the effect of capillary, viscous, and inertial forces on pore-scale interfacial dynamics and consequent macroscopic flow properties.

Template-based protein-protein docking exploiting pairwise interfacial residue restraints.

PubMed

Xue, Li C; Rodrigues, João P G L M; Dobbs, Drena; Honavar, Vasant; Bonvin, Alexandre M J J

2017-05-01

Although many advanced and sophisticated ab initio approaches for modeling protein-protein complexes have been proposed in past decades, template-based modeling (TBM) remains the most accurate and widely used approach, given a reliable template is available. However, there are many different ways to exploit template information in the modeling process. Here, we systematically evaluate and benchmark a TBM method that uses conserved interfacial residue pairs as docking distance restraints [referred to as alpha carbon-alpha carbon (CA-CA)-guided docking]. We compare it with two other template-based protein-protein modeling approaches, including a conserved non-pairwise interfacial residue restrained docking approach [referred to as the ambiguous interaction restraint (AIR)-guided docking] and a simple superposition-based modeling approach. Our results show that, for most cases, the CA-CA-guided docking method outperforms both superposition with refinement and the AIR-guided docking method. We emphasize the superiority of the CA-CA-guided docking on cases with medium to large conformational changes, and interactions mediated through loops, tails or disordered regions. Our results also underscore the importance of a proper refinement of superimposition models to reduce steric clashes. In summary, we provide a benchmarked TBM protocol that uses conserved pairwise interface distance as restraints in generating realistic 3D protein-protein interaction models, when reliable templates are available. The described CA-CA-guided docking protocol is based on the HADDOCK platform, which allows users to incorporate additional prior knowledge of the target system to further improve the quality of the resulting models. © The Author 2016. Published by Oxford University Press.

Surface velocity divergence model of air/water interfacial gas transfer in open-channel flows

NASA Astrophysics Data System (ADS)

Sanjou, M.; Nezu, I.; Okamoto, T.

2017-04-01

Air/water interfacial gas transfer through a free surface plays a significant role in preserving and restoring water quality in creeks and rivers. However, direct measurements of the gas transfer velocity and reaeration coefficient are still difficult, and therefore a reliable prediction model needs to be developed. Varying systematically the bulk-mean velocity and water depth, laboratory flume experiments were conducted and we measured surface velocities and dissolved oxygen (DO) concentrations in open-channel flows to reveal the relationship between DO transfer velocity and surface divergence (SD). Horizontal particle image velocimetry measurements provide the time-variations of surface velocity divergence. Positive and negative regions of surface velocity divergence are transferred downstream in time, as occurs in boil phenomenon on natural river free-surfaces. The result implies that interfacial gas transfer is related to bottom-situated turbulence motion and vertical mass transfer. The original SD model focuses mainly on small-scale viscous motion, and this model strongly depends on the water depth. Therefore, we modify the SD model theoretically to accommodate the effects of the water depth on gas transfer, introducing a non-dimensional parameter that includes contributions of depth-scale large-vortex motion, such as secondary currents, to surface renewal events related to DO transport. The modified SD model proved effective and reasonable without any dependence on the bulk mean velocity and water depth, and has a larger coefficient of determination than the original SD model. Furthermore, modeling of friction velocity with the Reynolds number improves the practicality of a new formula that is expected to be used in studies of natural rivers.

Instabilities in a nonstationary model of self-gravitating disks. III. The phenomenon of lopsidedness and a comparison of perturbation modes

NASA Astrophysics Data System (ADS)

Mirtadjieva, K. T.; Nuritdinov, S. N.; Ruzibaev, J. K.; Khalid, Muhammad

2011-06-01

This is an examination of the gravitational instability of the major large-scale perturbation modes for a fixed value of the azimuthal wave number m = 1 in nonlinearly nonstationary disk models with isotropic and anisotropic velocity diagrams for the purpose of explaining the displacement of the nucleus away from the geometric center (lopsidedness) in spiral galaxies. Nonstationary analogs of the dispersion relations for these perturbation modes are obtained. Critical diagrams of the initial virial ratio are constructed from the rotation parameters for the models in each case. A comparative analysis is made of the instability growth rates for the major horizontal perturbation modes in terms of two models, and it is found that, on the average, the instability growth rate for the m = 1 mode with a radial wave number N = 3 almost always has a clear advantage relative to the other modes. An analysis of these results shows that if the initial total kinetic energy in an isotropic model is no more than 12.4% of the initial potential energy, then, regardless of the value of the rotation parameter Ω, an instability of the radial motions always occurs and causes the nucleus to shift away from the geometrical center. This instability is aperiodic when Ω = 0 and is oscillatory when Ω ≠ 0 . For the anisotropic model, this kind of structure involving the nucleus develops when the initial total kinetic energy in the model is no more than 30.6% of the initial potential energy.