Comparison of fluid-fluid interfacial areas measured with X-ray microtomography and interfacial partitioning tracer tests for the same samples: COMPARISON OF FLUID-FLUID INTERFACIAL AREAS

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

McDonald, Kieran; Carroll, Kenneth C.; Brusseau, Mark L.

2016-07-01

Two different methods are currently used for measuring interfacial areas between immiscible fluids within 3-D porous media, high-resolution microtomographic imaging and interfacial partitioning tracer tests (IPTT). Both methods were used in this study to measure nonwetting/wetting interfacial areas for a natural sand. The microtomographic imaging was conducted on the same packed columns that were used for the IPTTs. This is in contrast to prior studies comparing the two methods, for which in all cases different samples were used for the two methods. In addition, the columns were imaged before and after the IPTTs to evaluate the potential impacts of themore » tracer solution on fluid configuration and attendant interfacial area. The interfacial areas measured using IPTT are ~5 times larger than the microtomographic-measured values, which is consistent with previous work. Analysis of the image data revealed no significant impact of the tracer solution on NAPL configuration or interfacial area. Other potential sources of error were evaluated, and all were demonstrated to be insignificant. The disparity in measured interfacial areas between the two methods is attributed to the limitation of the microtomography method to characterize interfacial area associated with microscopic surface roughness due to resolution constraints.« less

Comparison of Fluid-Fluid Interfacial Areas Measured with X-ray Microtomography and Interfacial Partitioning Tracer Tests for the same Samples.

PubMed

McDonald, Kieran; Carroll, Kenneth C; Brusseau, Mark L

2016-07-01

Two different methods are currently used for measuring interfacial areas between immiscible fluids within 3-D porous media, high-resolution microtomographic imaging and interfacial partitioning tracer tests (IPTT). Both methods were used in this study to measure non-wetting/wetting interfacial areas for a natural sand. The microtomographic imaging was conducted on the same packed columns that were used for the IPTTs. This is in contrast to prior studies comparing the two methods, for which in all cases different samples were used for the two methods. In addition, the columns were imaged before and after the IPTTs to evaluate the potential impacts of the tracer solution on fluid configuration and attendant interfacial area. The interfacial areas measured using IPTT are ~5 times larger than the microtomographic-measured values, which is consistent with previous work. Analysis of the image data revealed no significant impact of the tracer solution on NAPL configuration or interfacial area. Other potential sources of error were evaluated, and all were demonstrated to be insignificant. The disparity in measured interfacial areas between the two methods is attributed to the limitation of the microtomography method to characterize interfacial area associated with microscopic surface roughness due to resolution constraints.

Reduction of benzene and naphthalene mass transfer from crude oils by aging-induced interfacial films.

PubMed

Ghoshal, Subhasis; Pasion, Catherine; Alshafie, Mohammed

2004-04-01

Semi-rigid films or skins form at the interface of crude oil and water as a result of the accumulation of asphaltene and resin fractions when the water-immiscible crude oil is contacted with water for a period of time or "aged". The time varying patterns of area-independent mass transfer coefficients of two compounds, benzene and naphthalene, for dissolution from crude oil and gasoline were determined. Aqueous concentrations of the compounds were measured in the eluent from flow-through reactors, where a nondispersed oil phase and constant oil-water interfacial area were maintained. For Brent Blend crude oil and for gasoline amended with asphaltenes and resins, a rapid decrease in both benzene and naphthalene mass transfer coefficients over the first few days of aging was observed. The mass transfer coefficients of the two target solutes were reduced by up to 80% over 35 d although the equilibrium partition coefficients were unchanged. Aging of gasoline, which has negligible amounts of asphaltene and resin, did not result in a change in the solute mass transfer coefficients. The study demonstrates that formation of crude oil-water interfacial films comprised of asphaltenes and resins contribute to time-dependent decreases in rates of release of environmentally relevant solutes from crude oils and may contribute to the persistence of such solutes at crude oil-contaminated sites. It is estimated that the interfacial film has an extremely low film mass transfer coefficient in the range of 10(-6) cm/min.

Bonding measurement -Strength and fracture mechanics approaches.

PubMed

Anunmana, Chuchai; Wansom, Wiroj

2017-07-26

This study investigated the effect of cross-sectional areas on interfacial fracture toughness and bond strength of bilayered dental ceramics. Zirconia core ceramics were veneered and cut to produce specimens with three different cross-sectional areas. Additionally, monolithic specimens of glass veneer were also prepared. The specimens were tested in tension until fracture at the interface and reported as bond strength. Fracture surfaces were observed, and the apparent interfacial toughness was determined from critical crack size and failure stress. The results showed that cross-sectional area had no effect on the interfacial toughness whereas such factor had a significant effect on interfacial bond strength. The study revealed that cross-sectional area had no effect on the interfacial toughness, but had a significant effect on interfacial bond strength. The interfacial toughness may be a more reliable indicator for interfacial bond quality than interfacial bond strength.

General Mechanism of Morphology Transition and Spreading Area-dependent Phase Diagram of Block Copolymer Self-assembly at the Air/Water Interface

NASA Astrophysics Data System (ADS)

Kim, Dong Hyup; Kim, So Youn

Block copolymers (BCPs) can be self-assembled forming periodic nanostructures, which have been employed in many applications. While general agreements exist for the phase diagrams of BCP self-assembly in bulk or thin films, a fundamental understanding of BCP structures at the air/water interface still remain elusive. The current study explains morphology transition of BCPs with relative fraction of each block at the air/water interface: block fraction is the only parameter to control the morphology. In this study, we show morphology transitions from spherical to cylindrical and planar structures with neat polystyrene-b-poly(2-vinylpyridine) (PS-b-P2VP) via reducing the spreading area of BCP solution at the air/water interface. For example, PS-b-P2VP in a fixed block fraction known to form only spheres can experience sphere to cylinder or lamellar transitions depending on the spreading area at the air/water interface. Suggesting a new parameter to control the interfacial assembly of BCPs, a complete phase diagram is drawn with two paramters: relative block fraction and spreading area. We also explain the morphology transition with the combinational description of dewetting mechanism and spring effect of hydrophilic block.

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

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

Void initiation from interfacial debonding of spherical silicon particles inside a silicon-copper nanocomposite: a molecular dynamics study

NASA Astrophysics Data System (ADS)

Cui, Yi; Chen, Zengtao

2017-02-01

Silicon particles with diameters from 1.9 nm to 30 nm are embedded in a face-centered-cubic copper matrix to form nanocomposite specimens for simulation. The interfacial debonding of silicon particles from the copper matrix and the subsequent growth of nucleated voids are studied via molecular dynamics (MD). The MD results are examined from several different perspectives. The overall mechanical performance is monitored by the average stress-strain response and the accumulated porosity. The ‘relatively farthest-traveled’ atoms are identified to characterize the onset of interfacial debonding. The relative displacement field is plotted to illustrate both subsequent interfacial debonding and the growth of a nucleated void facilitated by a dislocation network. Our results indicate that the initiation of interfacial debonding is due to the accumulated surface stress if the matrix is initially dislocation-free. However, pre-existing dislocations can make a considerable difference. In either case, the dislocation emission also contributes to the subsequent debonding process. As for the size effect, the debonding of relatively larger particles causes a drop in the stress-strain curve. The volume fraction of second-phase particles is found to be more influential than the size of the simulation box on the onset of interfacial debonding. The volume fraction of second-phase particles also affects the shape of the nucleated void and, therefore, influences the stress response of the composite.

The Upper Limit of Energy Density of Nanoporous Materials Functionalized Liquid

NASA Astrophysics Data System (ADS)

Han, Aijie; Punyamurtula, Venkata K.; Kim, Taewan; Qiao, Yu

2008-06-01

In this article, we report the experimental result of energy dissipation of a mobil crystalline material (MCM) 41 in mercury. The MCM41 contains a large volume fraction of nanometer-sized pores. As the applied pressure is relatively high, the nanopore surfaces are exposed to mercury. Due to the large nanopore surface area and the large solid-liquid interfacial tension, the energy dissipation effectiveness of this system is ultrahigh, representing the upper limit that can be achieved by the pressure-induced infiltration technique.

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.

Distribution and Recovery of Crude Oil in Various Types of Porous Media and Heterogeneity Configurations

NASA Astrophysics Data System (ADS)

Tick, G. R.; Ghosh, J.; Greenberg, R. R.; Akyol, N. H.

2015-12-01

A series of pore-scale experiments were conducted to understand the interfacial processes contributing to the removal of crude oil from various porous media during surfactant-induced remediation. Effects of physical heterogeneity (i.e. media uniformity) and carbonate soil content on oil recovery and distribution were evaluated through pore scale quantification techniques. Additionally, experiments were conducted to evaluate impacts of tetrachloroethene (PCE) content on crude oil distribution and recovery under these same conditions. Synchrotron X-ray microtomography (SXM) was used to obtain high-resolution images of the two-fluid-phase oil/water system, and quantify temporal changes in oil blob distribution, blob morphology, and blob surface area before and after sequential surfactant flooding events. The reduction of interfacial tension in conjunction with the sufficient increase in viscous forces as a result of surfactant flushing was likely responsible for mobilization and recovery of lighter fractions of crude oil. Corresponding increases in viscous forces were insufficient to initiate and maintain the displacement of the heavy crude oil in more homogeneous porous media systems during surfactant flushing. Interestingly, higher relative recoveries of heavy oil fractions were observed within more heterogeneous porous media indicating that wettability may be responsible for controlling mobilization in these systems. Compared to the "pure" crude oil experiments, preliminary results show that crude oil with PCE produced variability in oil distribution and recovery before and after each surfactant-flooding event. Such effects were likely influenced by viscosity and interfacial tension modifications associated with the crude-oil/solvent mixed systems.

Accurate determination of interfacial protein secondary structure by combining interfacial-sensitive amide I and amide III spectral signals.

PubMed

Ye, Shuji; Li, Hongchun; Yang, Weilai; Luo, Yi

2014-01-29

Accurate determination of protein structures at the interface is essential to understand the nature of interfacial protein interactions, but it can only be done with a few, very limited experimental methods. Here, we demonstrate for the first time that sum frequency generation vibrational spectroscopy can unambiguously differentiate the interfacial protein secondary structures by combining surface-sensitive amide I and amide III spectral signals. This combination offers a powerful tool to directly distinguish random-coil (disordered) and α-helical structures in proteins. From a systematic study on the interactions between several antimicrobial peptides (including LKα14, mastoparan X, cecropin P1, melittin, and pardaxin) and lipid bilayers, it is found that the spectral profiles of the random-coil and α-helical structures are well separated in the amide III spectra, appearing below and above 1260 cm(-1), respectively. For the peptides with a straight backbone chain, the strength ratio for the peaks of the random-coil and α-helical structures shows a distinct linear relationship with the fraction of the disordered structure deduced from independent NMR experiments reported in the literature. It is revealed that increasing the fraction of negatively charged lipids can induce a conformational change of pardaxin from random-coil to α-helical structures. This experimental protocol can be employed for determining the interfacial protein secondary structures and dynamics in situ and in real time without extraneous labels.

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.

Three-dimensional simulation of rivulet and film flows over an inclined plate: Effects of solvent properties and contact angle

DOE PAGES

Singh, Rajesh K.; Galvin, Janine E.; Sun, Xin

2015-12-10

We numerically investigated the film flow down an inclined plate using the volume of fluid (VOF) method. The flow simulations have been systematically carried out for a wide range of parameters, such as inlet size, inclination angle, contact angle, flow rates and solvent properties (viscosity and surface tension). Based on the simulation results, scaling theory is proposed for both interfacial area and for film thickness in terms of the Kapitza number (Ka).The Kapitza number is advantageous because it depends only on solvent properties. The Kapitza number decreases with increased solvent viscosity and is fixed for a given fluid. Here, tomore » investigate the effects of solvent properties on interfacial area a small inlet cross-section was used. The interfacial area decreases with increased value of Ka. The time to reach pseudo-steady state of rivulet is also observed to increase with decreasing Ka. For a fixed flow rate, the inlet cross-section has marginal effect on the interfacial area; however, the developed width of the rivulet remains unchanged. In addition to inlet size, flow rate and solvent properties, the impact of contact angle on film thickness and interfacial area was also investigated. The contact angle has negligible effect for a fully wetted plate, but it significantly affects the interfacial area of the rivulet. Finally, a scaling theory for interfacial area in terms of the contact angle and Ka is presented.« less

Numerical study on the thermal behavior of graphene nanoplatelets/epoxy composites

NASA Astrophysics Data System (ADS)

Xiao, Wenkai; Zhai, Xian; Ma, Pengfei; Fan, Taotao; Li, Xiaotuo

2018-06-01

A three-dimensional computational model was developed using the finite element method (FEM) to evaluate the thermal behavior of graphene nanoplatelets (GNPs)/epoxy composites based on continuum mechanics. The model was validated with experimental data. The effects of the ratio of radius to thickness (Rrt) of GNPs, the interfacial thermal conductivity between GNPs and the matrix (Cgm), the contact thermal conductivity between GNPs (Cgg) and the agglomeration degree of GNPs on the thermal conductivity of composites (Kc) were quantified using this model. The results show that a larger Rrt is beneficial to Kc. GNPs could increase Kc only when the Cgm is greater than a critical value. A percolation phenomenon will occur when Cgg is larger than 1.0E8 W/(m2k) in randomly distributed GNPs/epoxy composites. The percolation effects become more obvious with the increase of Cgg and the volume fraction of GNPs. The agglomeration of GNPs has negative effects on the Kc. The higher the agglomeration degree of GNPs is, the lower Kc is. This is attributed to less beneficial interfacial areas, more inefficient contact areas, smaller Rrt and less effective connection/contact between GNPs.

Measuring air-water interfacial area for soils using the mass balance surfactant-tracer method.

PubMed

Araujo, Juliana B; Mainhagu, Jon; Brusseau, Mark L

2015-09-01

There are several methods for conducting interfacial partitioning tracer tests to measure air-water interfacial area in porous media. One such approach is the mass balance surfactant tracer method. An advantage of the mass-balance method compared to other tracer-based methods is that a single test can produce multiple interfacial area measurements over a wide range of water saturations. The mass-balance method has been used to date only for glass beads or treated quartz sand. The purpose of this research is to investigate the effectiveness and implementability of the mass-balance method for application to more complex porous media. The results indicate that interfacial areas measured with the mass-balance method are consistent with values obtained with the miscible-displacement method. This includes results for a soil, for which solid-phase adsorption was a significant component of total tracer retention. Copyright © 2015 Elsevier Ltd. All rights reserved.

New insights into the pH-dependent interfacial adsorption of dog gastric lipase using the monolayer technique.

PubMed

Bénarouche, Anaïs; Point, Vanessa; Parsiegla, Goetz; Carrière, Frédéric; Cavalier, Jean-François

2013-11-01

The access to kinetic parameters of lipolytic enzyme adsorption onto lipids is essential for a better understanding of interfacial enzymology and lipase-lipid interactions. The interfacial adsorption of dog gastric lipase (DGL) was monitored as a function of pH and surface pressure (Π), independently from the catalytic activity, using non-hydrolysable 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC) monomolecular films. The acid-stable DGL, which initiates fat digestion in the stomach, was then selected because its adsorption kinetics onto hydrophobic solid surfaces were already studied. This gastric lipase was therefore used as a model enzyme to validate both experimental and theoretical approaches. Results show that the adsorption process of DGL at the lipid/water interface depends on a pH-dependent adsorption equilibrium coefficient which is optimum at pH 5.0 (K(Ads) = 1.7 ± 0.05 × 10(8)M(-1)). KAds values further allowed an indirect estimation of the molar fraction (ΦE*(%), mol%) as well as the molecular area (AE*) of DGL adsorbed onto DLPC monolayer. Based on these data, a model for DGL adsorption onto DLPC monolayer at pH 5.0 is proposed for a surface pressure range of 15-25 mNm(-1). Copyright © 2013 Elsevier B.V. All rights reserved.

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.

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

Not just fractal surfaces, but surface fractal aggregates: Derivation of the expression for the structure factor and its applications

NASA Astrophysics Data System (ADS)

Besselink, R.; Stawski, T. M.; Van Driessche, A. E. S.; Benning, L. G.

2016-12-01

Densely packed surface fractal aggregates form in systems with high local volume fractions of particles with very short diffusion lengths, which effectively means that particles have little space to move. However, there are no prior mathematical models, which would describe scattering from such surface fractal aggregates and which would allow the subdivision between inter- and intraparticle interferences of such aggregates. Here, we show that by including a form factor function of the primary particles building the aggregate, a finite size of the surface fractal interfacial sub-surfaces can be derived from a structure factor term. This formalism allows us to define both a finite specific surface area for fractal aggregates and the fraction of particle interfacial sub-surfaces at the perimeter of an aggregate. The derived surface fractal model is validated by comparing it with an ab initio approach that involves the generation of a "brick-in-a-wall" von Koch type contour fractals. Moreover, we show that this approach explains observed scattering intensities from in situ experiments that followed gypsum (CaSO4 ṡ 2H2O) precipitation from highly supersaturated solutions. Our model of densely packed "brick-in-a-wall" surface fractal aggregates may well be the key precursor step in the formation of several types of mosaic- and meso-crystals.

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.

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

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

Ivanov, Ilia N.; Simpson, John T.

A method of preparing a network comprises disposing a solution comprising particulate materials in a solvent onto a superhydrophobic surface comprising a plurality of superhydrophobic features and interfacial areas between the superhydrophobic features. The plurality of superhydrophobic features has a water contact angle of at least about 150.degree.. The method of preparing the network also comprises removing the solvent from the solution of the particulate materials, and forming a network of the particulate materials in the interfacial areas, the particulate materials receding to the interfacial areas as the solvent is removed.

Role of interfacial transition layers in VO2/Al2O3 heterostructures

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

Zhou, Honghui; Chisholm, Matthew F; Yang, Tsung-Han

2011-01-01

Epitaxial VO2 films grown by pulsed laser deposition (PLD) on c-cut sapphire substrates ((0001) Al2O3) were studied by aberration-corrected scanning transmission electron microscopy (STEM). A number of film/substrate orientation relationships were found and are discussed in the context of the semiconductor-metal transition (SMT) characteristics. A structurally and electronically modified buffer layer was revealed on the interface and was attributed to the interface free-energy minimization process of accommodating the symmetry mismatch between the substrate and the film. This interfacial transition layer is expected to affect the SMT behavior when the interfacial region is a significant fraction of the VO2 film thickness.

The effects of fractional wettability on microbial enhanced oil recovery

NASA Astrophysics Data System (ADS)

Wildenschild, D.; Armstrong, R. T.

2011-12-01

Microbial enhanced oil recovery (MEOR) is a tertiary oil recovery technology that has had inconsistent success at the field-scale, while lab-scale experiments are mostly successful. One potential reason for these inconsistencies is that the efficacy of MEOR in fractional-wet systems is unknown. Our MEOR strategy consists of the injection of ex situ produced metabolic byproducts produced by Bacillus mojavensis JF-2 (that lower interfacial tension via biosurfactant production) into fractional-wet cores containing residual oil. Fractional-wet cores tested were 50%, 25%, and 0% oil-wet and two different MEOR flooding solutions were tested; one solution contained both microbes and metabolic byproducts while the other contained only the metabolic byproducts. The columns were imaged with x-ray computed microtomography (CMT) after water flooding, and after MEOR, which allowed for the evaluation of the pore-scale processes taking place during MEOR and wettability effects. Results indicate that during MEOR the larger residual oil blobs in mostly fractional-wet pores and residual oil held under relatively low capillary pressures were the main fractions recovered, while residual oil blobs in purely oil-wet pores remained in place. Residual oil saturation, interfacial curvatures, and oil blob sizes were measured from the CMT images and used to develop a conceptual model for MEOR in fractional-wet systems. Overall, results indicate that MEOR was effective at recovering oil from fractional-wet systems with reported additional oil recovered (AOR) values between 44% and 80%; the highest AOR values were observed in the most oil-wet system.

Interfacial behavior of Myristic acid in mixtures with DMPC and Cholesterol

NASA Astrophysics Data System (ADS)

Khattari, Z.; Sayyed, M. I.; Qashou, S. I.; Fasfous, I.; Al-Abdullah, T.; Maghrabi, M.

2017-06-01

Binary mixture monolayers of Myristic acid (MA) with the same length of saturated acyl chain lipid viz 1,2-myristoyl-sn-glycero-3-phosphocholine (DMPC) and Cholesterol (Chol), were investigated under different experimental conditions using Langmuir monolayers (LMs). The interfacial pressure-area (π-A) isotherms, excess molecular area, excess free energy and fluorescence microscopy (FM) images were recorded at the air/water interface. Monolayers of both systems (e.g. MA/DMPC, MA/Chol) reach the closest acyl hydrophobic chain packing in the range 0.20 < xMA < 0.70. Thermodynamic analysis indicates miscibility of the binary mixtures when spread at the air/water interface with negative deviation from the ideal behavior. Morphological features of MA/DMPC systems were found to depend strongly on MA mole fraction and pressures by showing two extreme minima in Gibbs free energy of mixing, while MA/Chol systems showed only an effective condensing effect at xMA = 0.90. In the whole range of compositions studied here, the liquid-expanded (LE) to liquid-condensed (LC) phase transition occurs at increasing xAM as it accomplished by a huge increase in the inverse compressibility modulus. FM observations confirmed the phase-transition and condensing effects of both mixture monolayers as evidenced by Gibbs free energy of mixing in a limited range of compositions.

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

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

Microbial Enhanced Oil Recovery in Fractional-Wet Systems: A Pore-Scale Investigation

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

Armstrong, Ryan T.; Wildenschild, Dorthe

2012-10-24

Microbial enhanced oil recovery (MEOR) is a technology that could potentially increase the tertiary recovery of oil from mature oil formations. However, the efficacy of this technology in fractional-wet systems is unknown, and the mechanisms involved in oil mobilization therefore need further investigation. Our MEOR strategy consists of the injection of ex situ produced metabolic byproducts produced by Bacillus mojavensis JF-2 (which lower interfacial tension (IFT) via biosurfactant production) into fractional-wet cores containing residual oil. Two different MEOR flooding solutions were tested; one solution contained both microbes and metabolic byproducts while the other contained only the metabolic byproducts. The columnsmore » were imaged with X-ray computed microtomography (CMT) after water flooding, and after MEOR, which allowed for the evaluation of the pore-scale processes taking place during MEOR. Results indicate that the larger residual oil blobs and residual oil held under relatively low capillary pressures were the main fractions recovered during MEOR. Residual oil saturation, interfacial curvatures, and oil blob sizes were measured from the CMT images and used to develop a conceptual model for MEOR in fractional-wet systems. Overall, results indicate that MEOR was effective at recovering oil from fractional-wet systems with reported additional oil recovered (AOR) values between 44 and 80%; the highest AOR values were observed in the most oil-wet system.« less

PREDICTION OF INTERFACIAL AREAS DURING IMBIBITION IN SIMPLE POROUS MEDIA. (R827116)

EPA Science Inventory

The interfacial area between wetting (W-) and non-wetting (NW-) phases is one of the crucial parameters in several flow and transport processes in porous media. This paper gives predictions of such areas during imbibition (displacement of NW-phase by W) in simple porous media....

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.

Tuning Glass Transition in Polymer Nanocomposites with Functionalized Cellulose Nanocrystals through Nanoconfinement.

PubMed

Qin, Xin; Xia, Wenjie; Sinko, Robert; Keten, Sinan

2015-10-14

Cellulose nanocrystals (CNCs) exhibit impressive interfacial and mechanical properties that make them promising candidates to be used as fillers within nanocomposites. While glass-transition temperature (Tg) is a common metric for describing thermomechanical properties, its prediction is extremely difficult as it depends on filler surface chemistry, volume fraction, and size. Here, taking CNC-reinforced poly(methyl-methacrylate) (PMMA) nanocomposites as a relevant model system, we present a multiscale analysis that combines atomistic molecular dynamics (MD) surface energy calculations with coarse-grained (CG) simulations of relaxation dynamics near filler-polymer interfaces to predict composite properties. We discover that increasing the volume fraction of CNCs results in nanoconfinement effects that lead to an appreciation of the composite Tg provided that strong interfacial interactions are achieved, as in the case of TEMPO-mediated surface modifications that promote hydrogen bonding. The upper and lower bounds of shifts in Tg are predicted by fully accounting for nanoconfinement and interfacial properties, providing new insight into tuning these aspects in nanocomposite design. Our multiscale, materials-by-design framework is validated by recent experiments and breaks new ground in predicting, without any empirical parameters, key structure-property relationships for nanocomposites.

Size effects in martensitic microstructures: Finite-strain phase field model versus sharp-interface approach

NASA Astrophysics Data System (ADS)

Tůma, K.; Stupkiewicz, S.; Petryk, H.

2016-10-01

A finite-strain phase field model for martensitic phase transformation and twinning in shape memory alloys is developed and confronted with the corresponding sharp-interface approach extended to interfacial energy effects. The model is set in the energy framework so that the kinetic equations and conditions of mechanical equilibrium are fully defined by specifying the free energy and dissipation potentials. The free energy density involves the bulk and interfacial energy contributions, the latter describing the energy of diffuse interfaces in a manner typical for phase-field approaches. To ensure volume preservation during martensite reorientation at finite deformation within a diffuse interface, it is proposed to apply linear mixing of the logarithmic transformation strains. The physically different nature of phase interfaces and twin boundaries in the martensitic phase is reflected by introducing two order-parameters in a hierarchical manner, one as the reference volume fraction of austenite, and thus of the whole martensite, and the second as the volume fraction of one variant of martensite in the martensitic phase only. The microstructure evolution problem is given a variational formulation in terms of incremental fields of displacement and order parameters, with unilateral constraints on volume fractions explicitly enforced by applying the augmented Lagrangian method. As an application, size-dependent microstructures with diffuse interfaces are calculated for the cubic-to-orthorhombic transformation in a CuAlNi shape memory alloy and compared with the sharp-interface microstructures with interfacial energy effects.

Interfacial Shear Strength and Adhesive Behavior of Silk Ionomer Surfaces.

PubMed

Kim, Sunghan; Geryak, Ren D; Zhang, Shuaidi; Ma, Ruilong; Calabrese, Rossella; Kaplan, David L; Tsukruk, Vladimir V

2017-09-11

The interfacial shear strength between different layers in multilayered structures of layer-by-layer (LbL) microcapsules is a crucial mechanical property to ensure their robustness. In this work, we investigated the interfacial shear strength of modified silk fibroin ionomers utilized in LbL shells, an ionic-cationic pair with complementary ionic pairing, (SF)-poly-l-glutamic acid (Glu) and SF-poly-l-lysine (Lys), and a complementary pair with partially screened Coulombic interactions due to the presence of poly(ethylene glycol) (PEG) segments and SF-Glu/SF-Lys[PEG] pair. Shearing and adhesive behavior between these silk ionomer surfaces in the swollen state were probed at different spatial scales and pressure ranges by using functionalized atomic force microscopy (AFM) tips as well as functionalized colloidal probes. The results show that both approaches were consistent in analyzing the interfacial shear strength of LbL silk ionomers at different spatial scales from a nanoscale to a fraction of a micron. Surprisingly, the interfacial shear strength between SF-Glu and SF-Lys[PEG] pair with partially screened ionic pairing was greater than the interfacial shear strength of the SF-Glu and SF-Lys pair with a high density of complementary ionic groups. The difference in interfacial shear strength and adhesive strength is suggested to be predominantly facilitated by the interlayer hydrogen bonding of complementary amino acids and overlap of highly swollen PEG segments.

Recent advances in quantitative analysis of fluid interfaces in multiphase fluid flow measured by synchrotron-based x-ray microtomography

NASA Astrophysics Data System (ADS)

Schlueter, S.; Sheppard, A.; Wildenschild, D.

2013-12-01

Imaging of fluid interfaces in three-dimensional porous media via x-ray microtomography is an efficient means to test thermodynamically derived predictions on the relationship between capillary pressure, fluid saturation and specific interfacial area (Pc-Sw-Anw) in partially saturated porous media. Various experimental studies exist to date that validate the uniqueness of the Pc-Sw-Anw relationship under static conditions and with current technological progress direct imaging of moving interfaces under dynamic conditions is also becoming available. Image acquisition and subsequent image processing currently involves many steps each prone to operator bias, like merging different scans of the same sample obtained at different beam energies into a single image or the generation of isosurfaces from the segmented multiphase image on which the interface properties are usually calculated. We demonstrate that with recent advancements in (i) image enhancement methods, (ii) multiphase segmentation methods and (iii) methods of structural analysis we can considerably decrease the time and cost of image acquisition and the uncertainty associated with the measurement of interfacial properties. In particular, we highlight three notorious problems in multiphase image processing and provide efficient solutions for each: (i) Due to noise, partial volume effects, and imbalanced volume fractions, automated histogram-based threshold detection methods frequently fail. However, these impairments can be mitigated with modern denoising methods, special treatment of gray value edges and adaptive histogram equilization, such that most of the standard methods for threshold detection (Otsu, fuzzy c-means, minimum error, maximum entropy) coincide at the same set of values. (ii) Partial volume effects due to blur may produce apparent water films around solid surfaces that alter the specific fluid-fluid interfacial area (Anw) considerably. In a synthetic test image some local segmentation methods like Bayesian Markov random field, converging active contours and watershed segmentation reduced the error in Anw associated with apparent water films from 21% to 6-11%. (iii) The generation of isosurfaces from the segmented data usually requires a lot of postprocessing in order to smooth the surface and check for consistency errors. This can be avoided by calculating specific interfacial areas directly on the segmented voxel image by means of Minkowski functionals which is highly efficient and less error prone.

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

Structural, thermal, optical, and photoacoustic study of nanocrystalline Bi{sub 2}Te{sub 3} produced by mechanical alloying

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

Souza, S. M.; Triches, D. M.; Poffo, C. M.

2011-01-01

Nanocrystalline Bi{sub 2}Te{sub 3} was produced by mechanical alloying and its properties were investigated by differential scanning calorimetry (DSC) x-ray diffraction (XRD), Raman spectroscopy (RS), and photoacoustic spectroscopy (PAS). Combining the XRD and RS results, the volume fraction of the interfacial component in as-milled and annealed samples was estimated. The PAS results suggest that the contribution of the interfacial component to the thermal diffusivity of nanostructured Bi{sub 2}Te{sub 3} is very significant.

Wear and interfacial transport of material

NASA Technical Reports Server (NTRS)

Buckley, D. H.

1975-01-01

Bonding across the interface for two solids in contact and the subsequent transfer of material from one surface to another is a direct result of the interfacial bonds being stronger than the cohesive bonds in either of the two solids. Surface tools such as LEED, Auger emission spectroscopy, field ion microscopy, and the atom probe are used to examine adhesive contacts and to determine the direction, nature, quantity of material transfer and properties of the solids which effect transfer and wear. The electronic nature, cohesive binding energies, surface structure, lattice disregistry and distribution of species in surface layers are all found to effect adhesion and transfer or transport for clean surfaces in solid state contact. The influence of adsorbed and reacted surface films from fractions of a monolayer to multilayer reactive films are considered. It is shown that even fractions of a monolayer of surface active species such as oxygen and sulfur can markedly inhibit adhesion and transport.

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

NASA Technical Reports Server (NTRS)

Balasubramaniam, R.; Subramanian, R. Shankar

2004-01-01

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

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

Nanoparticles in natural systems II: The natural oxide fraction at interaction with natural organic matter and phosphate

NASA Astrophysics Data System (ADS)

Hiemstra, Tjisse; Antelo, Juan; van Rotterdam, A. M. D.(Debby); van Riemsdijk, Willem H.

2010-01-01

Information on the particle size and reactive surface area of natural samples and its interaction with natural organic matter (NOM) is essential for the understanding bioavailability, toxicity, and transport of elements in the natural environment. In part I of this series ( Hiemstra et al., 2010), a method is presented that allows the determination of the effective reactive surface area ( A, m 2/g soil) of the oxide particles of natural samples which uses a native probe ion (phosphate) and a model oxide (goethite) as proxy. In soils, the natural oxide particles are generally embedded in a matrix of natural organic matter (NOM) and this will affect the ion binding properties of the oxide fraction. A remarkably high variation in the natural phosphate loading of the oxide surfaces ( Γ, μmol/m 2) is observed in our soils and the present paper shows that it is due to surface complexation of NOM, acting as a competitor via site competition and electrostatic interaction. The competitive interaction of NOM can be described with the charge distribution (CD) model by defining a ≡NOM surface species. The interfacial charge distribution of this ≡NOM surface species can be rationalized based on calculations done with an evolved surface complexation model, known as the ligand and charge distribution (LCD) model. An adequate choice is the presence of a charge of -1 v.u. at the 1-plane and -0.5 v.u. at the 2-plane of the electrical double layer used (Extended Stern layer model). The effective interfacial NOM adsorption can be quantified by comparing the experimental phosphate concentration, measured under standardized field conditions (e.g. 0.01 M CaCl 2), with a prediction that uses the experimentally derived surface area ( A) and the reversibly bound phosphate loading ( Γ, μmol/m 2) of the sample (part I) as input in the CD model. Ignoring the competitive action of adsorbed NOM leads to a severe under-prediction of the phosphate concentration by a factor ˜10 to 1000. The calculated effective loading of NOM is low at a high phosphate loading ( Γ) and vice versa, showing the mutual competition of both constituents. Both constituents in combination usually dominate the surface loading of natural oxide fraction of samples and form the backbone in modeling the fate of other (minor) ions in the natural environment. Empirically, the effective NOM adsorption is found to correlate well to the organic carbon content (OC) of the samples. The effective NOM adsorption can also be linked to DOC. For this, a Non-Ideal Competitive adsorption (NICA) model is used. DOC is found to be a major explaining factor for the interfacial loading of NOM as well as phosphate. The empirical NOM-OC relation or the parameterized NICA model can be used as an alternative for estimating the effective NOM adsorption to be implemented in the CD model for calculation of the surface complexation of field samples. The biogeochemical impact of the NOM-PO 4 interaction is discussed.

Production of Concentrated Pickering Emulsions with Narrow Size Distributions Using Stirred Cell Membrane Emulsification.

PubMed

Manga, Mohamed S; York, David W

2017-09-12

Stirred cell membrane emulsification (SCME) has been employed to prepare concentrated Pickering oil in water emulsions solely stabilized by fumed silica nanoparticles. The optimal conditions under which highly stable and low-polydispersity concentrated emulsions using the SCME approach are highlighted. Optimization of the oil flux rates and the paddle stirrer speeds are critical to achieving control over the droplet size and size distribution. Investigating the influence of oil volume fraction highlights the criticality of the initial particle loading in the continuous phase on the final droplet size and polydispersity. At a particle loading of 4 wt %, both the droplet size and polydispersity increase with increasing of the oil volume fraction above 50%. As more interfacial area is produced, the number of particles available in the continuous phase diminishes, and coincidently a reduction in the kinetics of particle adsorption to the interface resulting in larger polydisperse droplets occurs. Increasing the particle loading to 10 wt % leads to significant improvements in both size and polydispersity with oil volume fractions as high as 70% produced with coefficient of variation values as low as ∼30% compared to ∼75% using conventional homogenization techniques.

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%.

GEOCHEMICAL AND INTERFACIAL APPLICATIONS FOR ASSESSING ECOLOGICAL TOXICANT EXPOSURES

EPA Science Inventory

Numerous publications in the past several years have demonstrated that a significant fraction of our nation's waterbodies and associated underlying sediments contain sufficient quantities of contaminants such that they pose unacceptable risks to both wildlife and human health. I...

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.

Maillard Conjugation of Sodium Alginate to Whey Protein for Enhanced Resistance to Surfactant-Induced Competitive Displacement from Air-Water Interfaces.

PubMed

Cai, Bingqing; Saito, Anna; Ikeda, Shinya

2018-01-24

Whey protein adsorbed to an interface forms a viscoelastic interfacial film but is displaced competitively from the interface by a small-molecule surfactant added afterward. The present study evaluated the impact of the covalent conjugation of high- or low-molecular-weight sodium alginate (HA or LA) to whey protein isolate (WPI) via the Maillard reaction on the ability of whey protein to resist surfactant-induced competitive displacement from the air-water interface. Surfactant added after the pre-adsorption of conjugate to the interface increased surface pressure. At a given surface pressure, the WPI-LA conjugate showed a significantly higher interfacial area coverage and lower interfacial film thickness compared to those of the WPI-HA conjugate or unconjugated WPI. The addition of LA to the aqueous phase had little effect on the interfacial area and thickness of pre-adsorbed WPI. These results suggest the importance of the molecular weight of the polysaccharide moiety in determining interfacial properties of whey protein-alginate conjugates.

Analysis of Fractional Flow for Transient Two-Phase Flow in Fractal Porous Medium

NASA Astrophysics Data System (ADS)

Lu, Ting; Duan, Yonggang; Fang, Quantang; Dai, Xiaolu; Wu, Jinsui

2016-03-01

Prediction of fractional flow in fractal porous medium is important for reservoir engineering and chemical engineering as well as hydrology. A physical conceptual fractional flow model of transient two-phase flow is developed in fractal porous medium based on the fractal characteristics of pore-size distribution and on the approximation that porous medium consist of a bundle of tortuous capillaries. The analytical expression for fractional flow for wetting phase is presented, and the proposed expression is the function of structural parameters (such as tortuosity fractal dimension, pore fractal dimension, maximum and minimum diameters of capillaries) and fluid properties (such as contact angle, viscosity and interfacial tension) in fractal porous medium. The sensitive parameters that influence fractional flow and its derivative are formulated, and their impacts on fractional flow are discussed.

Best practices for the use of siliceous river gravel in concrete paving.

DOT National Transportation Integrated Search

2009-02-01

Fracture toughness (KIC) value at early ages of concrete was used to represent the interfacial bond between : aggregate and mortar of a variety of coarse aggregates types and concrete mixtures. A fractional factorial design based : on Taguchis ort...

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.

EXPERIMENTAL INVESTIGATION OF RELATIVE PERMEABILITY UPSCALING FROM THE MICRO-SCALE TO THE MACRO-SCALE

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

Laura J. Pyrak-Nolte; Ping Yu; JiangTao Cheng

2002-12-01

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 that the coherence detection can be performed in a borescope. The measurement of interfacial area per volume (IAV), capillary pressure and saturation in two dimensional micro-models structures has shown the existence of a unique relationship among these hydraulic parameters for different pore geometry. The measurement of interfacial area per volume on a three-dimensional natural sample, i.e., sandstone, is essentially completed for imbibition conditions.« less

A Deterministic Interfacial Cyclic Oxidation Spalling Model. Part 2; Algebraic Approximation, Descriptive Parameters, and Normalized Universal Curve

NASA Technical Reports Server (NTRS)

Smialek, James L.

2002-01-01

A cyclic oxidation interfacial spalling model has been developed in Part 1. The governing equations have been simplified here by substituting a new algebraic expression for the series (Good-Smialek approximation). This produced a direct relationship between cyclic oxidation weight change and model input parameters. It also allowed for the mathematical derivation of various descriptive parameters as a function of the inputs. It is shown that the maximum in weight change varies directly with the parabolic rate constant and cycle duration and inversely with the spall fraction, all to the 1/2 power. The number of cycles to reach maximum and zero weight change vary inversely with the spall fraction, and the ratio of these cycles is exactly 1:3 for most oxides. By suitably normalizing the weight change and cycle number, it is shown that all cyclic oxidation weight change model curves can be represented by one universal expression for a given oxide scale.

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.

Healing of polymer interfaces: Interfacial dynamics, entanglements, and strength

NASA Astrophysics Data System (ADS)

Ge, Ting; Robbins, Mark O.; Perahia, Dvora; Grest, Gary S.

2014-07-01

Self-healing of polymer films often takes place as the molecules diffuse across a damaged region, above their melting temperature. Using molecular dynamics simulations we probe the healing of polymer films and compare the results with those obtained for thermal welding of homopolymer slabs. These two processes differ from each other in their interfacial structure since damage leads to increased polydispersity and more short chains. A polymer sample was cut into two separate films that were then held together in the melt state. The recovery of the damaged film was followed as time elapsed and polymer molecules diffused across the interface. The mass uptake and formation of entanglements, as obtained from primitive path analysis, are extracted and correlated with the interfacial strength obtained from shear simulations. We find that the diffusion across the interface is significantly faster in the damaged film compared to welding because of the presence of short chains. Though interfacial entanglements increase more rapidly for the damaged films, a large fraction of these entanglements are near chain ends. As a result, the interfacial strength of the healing film increases more slowly than for welding. For both healing and welding, the interfacial strength saturates as the bulk entanglement density is recovered across the interface. However, the saturation strength of the damaged film is below the bulk strength for the polymer sample. At saturation, cut chains remain near the healing interface. They are less entangled and as a result they mechanically weaken the interface. Chain stiffness increases the density of entanglements, which increases the strength of the interface. Our results show that a few entanglements across the interface are sufficient to resist interfacial chain pullout and enhance the mechanical strength.

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).

Healing of polymer interfaces: Interfacial dynamics, entanglements, and strength

DOE PAGES

Ge, Ting; Robbins, Mark O.; Perahia, Dvora; ...

2014-07-25

Self-healing of polymer films often takes place as the molecules diffuse across a damaged region, above their melting temperature. Using molecular dynamics simulations we probe the healing of polymer films and compare the results with those obtained for thermal welding of homopolymer slabs. These two processes differ from each other in their interfacial structure since damage leads to increased polydispersity and more short chains. A polymer sample was cut into two separate films that were then held together in the melt state. The recovery of the damaged film was followed as time elapsed and polymer molecules diffused across the interface.more » The mass uptake and formation of entanglements, as obtained from primitive path analysis, are extracted and correlated with the interfacial strength obtained from shear simulations. We find that the diffusion across the interface is signifcantly faster in the damaged film compared to welding because of the presence of short chains. Though interfacial entanglements increase more rapidly for the damaged films, a large fraction of these entanglements are near chain ends. As a result, the interfacial strength of the healing film increases more slowly than for welding. For both healing and welding, the interfacial strength saturates as the bulk entanglement density is recovered across the interface. However, the saturation strength of the damaged film is below the bulk strength for the polymer sample. At saturation, cut chains remain near the healing interface. They are less entangled and as a result they mechanically weaken the interface. When the strength of the interface saturates, the number of interfacial entanglements scales with the corresponding bulk entanglement density. Chain stiffness increases the density of entanglements, which increases the strength of the interface. Our results show that a few entanglements across the interface are sufficient to resist interfacial chain pullout and enhance the mechanical strength.« less

Structural changes in block copolymer micelles induced by cosolvent mixtures†

PubMed Central

Kelley, Elizabeth G.; Smart, Thomas P.; Jackson, Andrew J.; Sullivan, Millicent O.

2013-01-01

We investigated the influence of tetrahydrofuran (THF) addition on the structure of poly(1,2-butadiene-b-ethylene oxide) [PB-PEO] micelles in aqueous solution. Our studies showed that while the micelles remained starlike, the micelle core-corona interfacial tension and micelle size decreased upon THF addition. The detailed effects of the reduction in interfacial tension were probed using contrast variations in small angle neutron scattering (SANS) experiments. At low THF contents (high interfacial tensions), the SANS data were fit to a micelle form factor that incorporated a radial density distribution of corona chains to account for the starlike micelle profile. However, at higher THF contents (low interfacial tensions), the presence of free chains in solution affected the scattering at high q and required the implementation of a linear combination of micelle and Gaussian coil form factors. These SANS data fits indicated that the reduction in interfacial tension led to broadening of the core-corona interface, which increased the PB chain solvent accessibility at intermediate THF solvent fractions. We also noted that the micelle cores swelled with increasing THF addition, suggesting that previous assumptions of the micelle core solvent content in cosolvent mixtures may not be accurate. Control over the size, corona thickness, and extent of solvent accessible PB in these micelles can be a powerful tool in the development of targeting delivery vehicles. PMID:24282441

Effect of demulsifiers on interfacial properties governing crude oil demulsification

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

Mukherjee, S.; Kushnick, A.P.

1988-05-01

Crude oil is almost always produced as persistent water-in-oil emulsions which must be resolved into two separate phases before the crude can be accepted for pipelining. The water droplets are sterically stabilized by the asphaltene and resin fractions of the crude oil. These are condensed aromatic rings containing saturated carbon chains and napthenic rings as substituents, along with a distribution of heteroatoms and metals. They are capable of crosslinking at the water drop-oil interface. Chemical demulsifiers are most commonly used to separate the emulsions into water and oil phases. The demulsifiers are moderate (2,000-50,000) molecular weight polydisperse mostly nonionic blockmore » copolymers with hydrophilic and hydrophobic segments. An example (Figure 1) of the most commonly used demulsifier is the oxyalkylated alkyl phenol formaldehyde resin. The alkyl group can be butyl, amyl, or nonyl and the interfacial activity is controlled by the relative amounts of ethylene oxide (EO) and propylene oxide (PO) attached to the polar end. The purpose of this paper is to illustrate how various parameters such as interfacial tension, interfacial shear viscosity, dynamic interfacial tension gradient, dilational elasticity and demulsifier clustering affect the demulsification effectiveness. To this end, the authors have studied both crude oil as well as asphaltene stabilized ''model' water-in-oil emulsions. In this paper, some of the results of the authors' study are presented.« less

Structural changes in block copolymer micelles induced by cosolvent mixtures

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

Kelley, Elizabeth G.; Smart, Thomas P.; Jackson, Andrew J.

2012-11-26

We investigated the influence of tetrahydrofuran (THF) addition on the structure of poly(1,2-butadiene-b-ethylene oxide) [PB-PEO] micelles in aqueous solution. Our studies showed that while the micelles remained starlike, the micelle core-corona interfacial tension and micelle size decreased upon THF addition. The detailed effects of the reduction in interfacial tension were probed using contrast variations in small angle neutron scattering (SANS) experiments. At low THF contents (high interfacial tensions), the SANS data were fit to a micelle form factor that incorporated a radial density distribution of corona chains to account for the starlike micelle profile. However, at higher THF contents (lowmore » interfacial tensions), the presence of free chains in solution affected the scattering at high q and required the implementation of a linear combination of micelle and Gaussian coil form factors. These SANS data fits indicated that the reduction in interfacial tension led to broadening of the core-corona interface, which increased the PB chain solvent accessibility at intermediate THF solvent fractions. We also noted that the micelle cores swelled with increasing THF addition, suggesting that previous assumptions of the micelle core solvent content in cosolvent mixtures may not be accurate. Control over the size, corona thickness, and extent of solvent accessible PB in these micelles can be a powerful tool in the development of targeting delivery vehicles.« less

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

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

Implications of surfactant-induced flow for miscible-displacement estimation of air-water interfacial areas in unsaturated porous media.

PubMed

Costanza-Robinson, Molly S; Zheng, Zheng; Henry, Eric J; Estabrook, Benjamin D; Littlefield, Malcolm H

2012-10-16

Surfactant miscible-displacement experiments represent a conventional means of estimating air-water interfacial area (A(I)) in unsaturated porous media. However, changes in surface tension during the experiment can potentially induce unsaturated flow, thereby altering interfacial areas and violating several fundamental method assumptions, including that of steady-state flow. In this work, the magnitude of surfactant-induced flow was quantified by monitoring moisture content and perturbations to effluent flow rate during miscible-displacement experiments conducted using a range of surfactant concentrations. For systems initially at 83% moisture saturation (S(W)), decreases of 18-43% S(W) occurred following surfactant introduction, with the magnitude and rate of drainage inversely related to the surface tension of the surfactant solution. Drainage induced by 0.1 mM sodium dodecyl benzene sulfonate, commonly used for A(I) estimation, resulted in effluent flow rate increases of up to 27% above steady-state conditions and is estimated to more than double the interfacial area over the course of the experiment. Depending on the surfactant concentration and the moisture content used to describe the system, A(I) estimates varied more than 3-fold. The magnitude of surfactant-induced flow is considerably larger than previously recognized and casts doubt on the reliability of A(I) estimation by surfactant miscible-displacement.

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.

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.

Partitioning and interfacial tracers for differentiating NAPL entrapment configuration: column-scale investigation.

PubMed

Dai, D; Barranco, F T; Illangasekare, T H

2001-12-15

Research on the use of partitioning and interfacial tracers has led to the development of techniques for estimating subsurface NAPL amount and NAPL-water interfacial area. Although these techniques have been utilized with some success at field sites, current application is limited largely to NAPL at residual saturation, such as for the case of post-remediation settings where mobile NAPL has been removed through product recovery. The goal of this study was to fundamentally evaluate partitioning and interfacial tracer behavior in controlled column-scale test cells for a range of entrapment configurations varying in NAPL saturation, with the results serving as a determinant of technique efficacy (and design protocol) for use with complexly distributed NAPLs, possibly at high saturation, in heterogeneous aquifers. Representative end members of the range of entrapment configurations observed under conditions of natural heterogeneity (an occurrence with residual NAPL saturation [discontinuous blobs] and an occurrence with high NAPL saturation [continuous free-phase LNAPL lens]) were evaluated. Study results indicated accurate prediction (using measured tracer retardation and equilibrium-based computational techniques) of NAPL amount and NAPL-water interfacial area for the case of residual NAPL saturation. For the high-saturation LNAPL lens, results indicated that NAPL-water interfacial area, but not NAPL amount (underpredicted by 35%), can be reasonably determined using conventional computation techniques. Underprediction of NAPL amount lead to an erroneous prediction of NAPL distribution, as indicated by the NAPL morphology index. In light of these results, careful consideration should be given to technique design and critical assumptions before applying equilibrium-based partitioning tracer methodology to settings where NAPLs are complexly entrapped, such as in naturally heterogeneous subsurface formations.

Tethered Lubricants

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

Archer, Lynden

We have performed extensive experimental and theoretical studies of interfacial friction, relaxation dynamics, and thermodynamics of polymer chains tethered to points, planes, and particles. A key result from our tribology studies using lateral force microscopy (LFM) measurements of polydisperse brushes of linear and branched chains densely grafted to planar substrates is that there are exceedingly low friction coefficients for these systems. Specific project achievements include: (1) Synthesis of three-tiered lubricant films containing controlled amounts of free and pendent PDMS chains, and investigated the effect of their molecular weight and volume fraction on interfacial friction. (2.) Detailed studies of a familymore » of hairy particles termed nanoscale organic hybrid materials (NOHMs) and demonstration of their use as lubricants.« less

Decarboxylation of 6-nitrobenzisoxazole-3-carboxylate in mixed micelles of zwitterionic and positively charged surfactants.

PubMed

Maximiano, Flavio A; Chaimovich, Hernan; Cuccovia, Iolanda M

2006-09-12

The rate of decarboxylation of 6-nitrobenzisoxazole-3-carboxylate, NBOC, was determined in micelles of N-hexadecyl-N,N,N-trimethylammonium bromide or chloride (CTAB or CTAC), N-hexadecyl-N,N-dimethyl-3-ammonium-1-propanesulfonate (HPS), N-dodecyl-N,N-dimethyl-3-ammonium-1-propanesulfonate (DPS), N-dodecyl-N,N,N-trimethylammonium bromide (DTAB), hexadecylphosphocholine (HPC), and their mixtures. Quantitative analysis of the effect on micelles on the velocity of NBOC decarboxylation allowed the estimation of the rate constants in the micellar pseudophase, k(m), for the pure surfactants and their mixtures. The extent of micellar catalysis for NBOC decarboxylation, expressed as the ratio k(m)/k(w), where k(w) is the rate constant in water, varied from 240 for HPS to 62 for HPC. With HPS or DPS, k(m) decreased linearly with CTAB(C) mole fraction, suggesting ideal mixing. With HPC, k(m) increased to a maximum at a CTAB(C) mole fraction of ca. 0.5 and then decreased at higher CTAB(C). Addition of CTAB(C) to HPC, where the negative charge of the surfactant is close to the hydrophobic core, produces tight ion pairs at the interface and, consequently, decreases interfacial water contents. Interfacial dehydration at the surface in equimolar HPC/CTAB(C) mixtures, and interfacial solubilization site of the substrate, can explain the observed catalytic synergy, since the rate of NBOC decarboxylation increases markedly with the decrease in hydrogen bonding to the carboxylate group.

Effect of TiO 2 particle size and layer thickness on mesoscopic perovskite solar cells

DOE PAGES

Lee, Dong Geon; Kim, Min-cheol; Kim, Byeong Jo; ...

2017-11-16

Mesoporous TiO 2 (mp-TiO 2) layers are commonly used as electron transport layers in perovskite solar cells, which help to extract electrons from the perovskite light-absorbing layer and transport them to the electrodes. We investigated the effects of the layer thickness of mp-TiO 2 and particle size of TiO 2 on photovoltaic properties, in terms of the surface area of the mp-layer and the interfacial areas of the TiO 2 nanoparticles in the mp-layer. Various mp-TiO 2 layers with thicknesses of 150, 250, and 400 nm and particle sizes of 25 nm and 41 nm were prepared to compare themore » photovoltaic properties of such layer-containing perovskite solar cells. Time-resolved photoluminescence decay and impedance studies showed that interfacial resistance as well as perovskite-to-TiO 2 charge injection are important factors affecting photovoltaic performance. The deterioration of the photovoltaic parameters with increasing TiO 2/TiO 2 interfacial area also confirms that the interfacial series resistance that arises from these connections should be reduced to enhance the performance of mesoscopic perovskite solar cells.« less

Effect of TiO 2 particle size and layer thickness on mesoscopic perovskite solar cells

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

Lee, Dong Geon; Kim, Min-cheol; Kim, Byeong Jo

Mesoporous TiO 2 (mp-TiO 2) layers are commonly used as electron transport layers in perovskite solar cells, which help to extract electrons from the perovskite light-absorbing layer and transport them to the electrodes. We investigated the effects of the layer thickness of mp-TiO 2 and particle size of TiO 2 on photovoltaic properties, in terms of the surface area of the mp-layer and the interfacial areas of the TiO 2 nanoparticles in the mp-layer. Various mp-TiO 2 layers with thicknesses of 150, 250, and 400 nm and particle sizes of 25 nm and 41 nm were prepared to compare themore » photovoltaic properties of such layer-containing perovskite solar cells. Time-resolved photoluminescence decay and impedance studies showed that interfacial resistance as well as perovskite-to-TiO 2 charge injection are important factors affecting photovoltaic performance. The deterioration of the photovoltaic parameters with increasing TiO 2/TiO 2 interfacial area also confirms that the interfacial series resistance that arises from these connections should be reduced to enhance the performance of mesoscopic perovskite solar cells.« less

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.

Dielectric analysis of the APG/n-butanol/cyclohexane/water nonionic microemulsions.

PubMed

He, K J; Zhao, K S; Chai, J L; Li, G Z

2007-09-15

The nonionic APG/n-butanol/cyclohexane/water microemulsions with different microstructure, which is induced by the variation of water contents, are investigated by the dielectric spectroscopy. An appropriate dielectric theory, Hanai theory and the corresponding analytical method are applied to obtain the internal properties of the constituent phases of microemulsions, such as the relative permittivity and conductivity of continuous and dispersed phases and the volume fraction of dispersed phase. Using these parameters, the distribution of n-butanol in constituent phases, which is of important in the study field of the microstructure of microemulsion, is obtained quantitatively. It is found that the n-butanol molecules not only distribute in the interfacial APG layer but also in the continuous and dispersed phases. In addition, the percolation threshold is interpreted by using the dynamic percolation model. The structural and dynamic information are obtained, for instance, the critical volume fraction of water when percolation occurs and the characteristic time for the rearrangement of clusters. These parameters are intimately related to the properties of microemulsions, especially the characteristics of the interfacial layer.

Morphology and Surface Energy of a Si Containing Semifluorinated Di-block Copolymer Thin Films.

NASA Astrophysics Data System (ADS)

Shrestha, Umesh; Clarson, Stephen; Perahia, Dvora

2013-03-01

The structure and composition of an interface influence stability, adhesiveness and response to external stimuli of thin polymeric films. Incorporation of fluorine affects interfacial energy as well as thermal and chemical stability of the layers. The incompatibility between the fluorinated and non-fluorinated blocks induces segregation that leads to long range correlations where the tendency of the fluorine to migrate to interfaces impacts the surface tension of the films. Concurrently Si in a polymeric backbone enhances the flexibility of polymeric chains. Our previous studies of poly trifluoro propyl methyl siloxane-polystyrene thin films with SiF fraction 0.03-0.5 as a function of temperature have shown that the SiF block drives layering parallel to the surface of the diblock. Here in we report the structure and interfacial energies of SiF-PS in the plane of the films, as a function of the volume fraction of the SiF block obtained from Atomic Force microscopy and contact angle measurement studies. This work is supported by NSF DMR - 0907390

Dynamic and structural properties of room-temperature ionic liquids near silica and carbon surfaces.

PubMed

Li, Song; Han, Kee Sung; Feng, Guang; Hagaman, Edward W; Vlcek, Lukas; Cummings, Peter T

2013-08-06

The dynamic and structural properties of a room-temperature ionic liquid (RTIL) 1-butyl-3-methyl-imidazolium(trifluoromethanesulfonimide) ([C4mim][Tf2N]) confined in silica and carbon mesopores were investigated by molecular dynamics (MD) simulations and nuclear magnetic resonance (NMR) experiments. The complex interfacial microstructures of confined [C4mim][Tf2N] are attributed to the distinctive surface features of the silica mesopore. The temperature-dependent diffusion coefficients of [C4mim][Tf2N] confined in the silica or carbon mesopore exhibit divergent behavior. The loading fraction (f = 1.0, 0.5, and 0.25) has a large effect on the magnitude of the diffusion coefficient in the silica pore and displays weaker temperature dependence as the loading fraction decreases. The diffusion coefficients of mesoporous carbon-confined [C4mim][Tf2N] are relatively insensitive to the loading faction and exhibit a temperature dependence that is similar to the bulk dependence at all loading levels. Such phenomena can be attributed to the unique surface heterogeneity, dissimilar interfacial microstructures, and interaction potential profile of RTILs near silica and carbon walls.

Interfacial friction and adhesion of cross-linked polymer thin films swollen with linear chains.

PubMed

Zhang, Qing; Archer, Lynden A

2007-07-03

The preparation and interfacial properties of a new type of tethered, thin-film lubricant coating are presented. These coatings are composed of three components: a dense self-assembled monolayer (SAM) underlayer that presents reactive vinyl groups at its surface; a cross-linked polydimethylsiloxane (PDMS) overlayer that is covalently tethered to the SAM; and free, mobile linear PDMS chains dispersed in the network. We investigate the influence of the molecular weight (Ms) and concentration of the free PDMS chains on the structure and equilibrium swelling properties of the cross-linked films. Using a bead-probe lateral force microscopy measurement technique, we also quantify the interfacial friction and adhesion characteristics of surfaces functionalized with these coatings. We find that both the volume fraction and the molecular weight of free PDMS molecules in the coatings influence their interfacial friction and adhesion properties. For example, the addition of short PDMS chains in dry, cross-linked PDMS thin films yields tethered surface coatings with ultralow friction coefficients (mu = 5.2 x 10(-3)). An analysis based on classical lubrication theory suggests that the reduction in friction force produced by free polymer is a consequence of the gradual separation of asperities on opposing surfaces and the consequent substitution of solid-solid friction by viscous drag of the free polymer chains in the network.

Direct Numerical Simulations of Dynamic Drainage and Imbibition to Investigate Capillary Pressure-Saturation-Interfacial Area Relation

NASA Astrophysics Data System (ADS)

Konangi, S.; Palakurthi, N. K.; Karadimitriou, N.; Comer, K.; Ghia, U.

2017-12-01

We present results of pore-scale direct numerical simulations (DNS) of drainage and imbibition in a quasi-two-dimensional (40µm thickness) porous medium with a randomly distributed packing of cylindrical obstructions. The Navier-Stokes (NS) equations are solved in the pore space on an Eulerian mesh using the open-source finite-volume computational fluid dynamics (CFD) code, OpenFOAM. The Volume-of-Fluid (VOF) method is employed to track the evolution of the fluid-fluid interface; a static contact angle is used to account for wall adhesion. From the DNS data, we focus on the macroscopic capillary pressure-saturation (Pc-Sw) relation, which is known to be hysteretic, i.e., this relation is flow process (such as drainage, imbibition and scanning curves) and history dependent. In order to overcome the problem of hysteresis, extended theories of multiphase flow hypothesized that the inclusion of specific interfacial area as a state variable will result in a unique relation between capillary pressure, saturation and interfacial area (Pc-Sw-awn). We study the role of specific interfacial area on hysteresis in the macroscopic Pc-Sw relation under non-equilibrium (dynamic) conditions. Under dynamic conditions, capillary pressure depends on the rate of change of the wetting phase saturation, and the dynamic Pc-Sw relation includes the changes caused by viscous effects. Simulations of drainage and imbibition are performed for two capillary numbers by controlling the flow rate of the non-wetting (polydimenthlysiloxane oil) and wetting (water) fluids. From these simulations, the Pc-Sw curves will be estimated; the Pc-S-awn surface will be constructed to determine whether the data points from drainage and imbibition processes fall on a unique surface under transient conditions. Different macroscopic capillary pressure definitions based on phase-averaged pressures and interfacial area will be evaluated. Understanding macroscopic capillary pressure definitions and the uniqueness of the Pc-S- awn relation is step towards complete description of two-phase flow at the Darcy scale.

The confined [Bmim][BF4] ionic liquid flow through graphene oxide nanochannels: a molecular dynamics study.

PubMed

Wang, Yanlei; Huo, Feng; He, Hongyan; Zhang, Suojiang

2018-06-20

Ionic liquid (IL) flow in graphene oxide (GO) nanochannels plays a key role in the performance of IL- and GO-based fluidics devices and other chemical separator techniques. Here, we investigate the flow behavior of ILs in GO nanochannels via molecular dynamics simulations. The quantitative relation between slip velocity and shear stress has been identified, showing that the interfacial friction coefficient can be enhanced by almost sixty times, while the slip length is reduced by about three orders of magnitude, with the fraction of hydroxylation in graphene ranging from 0% to 15%. The great change in interfacial properties can be attributed to the structural changes of IL layers near GO, which is proved by the detailed analysis of density distribution, charge distribution and radial distribution function. Besides, the viscosity will increase as a fraction of hydroxylation because of the partial breaking of coulombic ordering of confined ILs. Meanwhile, the hydroxyls have more significant effects on IL flow than water flow in GO nanochannels due to the stronger interaction networks in IL/GO interfaces. In summary, hydroxylation can be a convincing method to regulate the IL flow in nanochannels. The quantitative properties of confined ILs in GO nanochannels and their relation to the fraction of hydroxylation could deepen the understanding of ILs and benefit the applications of ILs and GO in the fields of chemical engineering and various other nanofluidic devices.

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.)

Effects of the conjugation of whey proteins with gellan polysaccharides on surfactant-induced competitive displacement from the air-water interface.

PubMed

Cai, B; Ikeda, S

2016-08-01

Whey proteins can be used to stabilize foams and emulsions against coalescence because of their ability to form viscoelastic films at the interface that resist film rupture on collision between colloidal particles. However, whey proteins are competitively displaced from the interface if small-molecule surfactants are added, leading to destabilization of the entire system. This is because surfactants are more effective in molecular packing at the interface, and they lower interfacial tension to a greater degree than whey proteins do, but their interfacial films are poor in viscoelasticity. We hypothesized that whey proteins would become more resistant to surfactant-induced competitive displacement if they were conjugated with network-forming polysaccharides. The protein moiety of the conjugate would be expected to enable its adsorption to the interface, and the polysaccharide moiety would be expected to form self-assembled networks, strengthening the interfacial film as a whole. In this study, whey proteins were conjugated with gellan polysaccharides using the Maillard reaction. Atomic force microscopy images of interfacial films formed by the whey protein-gellan conjugate at the air-water interface and transferred onto mica sheets using the Langmuir-Blodgett method revealed that gellan did form self-assembled networks at the interface and that interfacial films also contained a large number of unconjugated whey protein molecules. Following the addition of a small-molecule surfactant (Tween 20) to the sub-phase, surface pressure increased, indicating spontaneous adsorption of surfactants to the interface. Atomic force microscopy images showed decreases in interfacial area coverage by whey proteins as surface pressure increased. At a given surface pressure, the interfacial area coverage by whey protein-gellan conjugates was greater than coverage by unconjugated whey proteins, confirming that whey proteins became more resistant to surfactant-induced displacement after conjugation with gellan. Furthermore, gellan molecules added to the sub-phase after the formation of a monolayer of whey proteins at the air-water interface did not adsorb to the interfacial protein film. These results provide a molecular basis for designing interfacial structures to enhance the stability of colloidal systems. Copyright © 2016 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Analysis of main parameters affecting substrate/mortar contact area through tridimensional laser scanner.

PubMed

Stolz, Carina M; Masuero, Angela B

2015-10-01

This study assesses the influence of the granulometric composition of sand, application energy and the superficial tension of substrates on the contact area of rendering mortars. Three substrates with distinct wetting behaviors were selected and mortars were prepared with different sand compositions. Characterization tests were performed on fresh and hardened mortars, as well as the rheological characterization. Mortars were applied to substrates with two different energies. The interfacial area was then digitized with 3D scanner. Results show that variables are all of influence on the interfacial contact in the development area. Furthermore, 3D laser scanning proved to be a good method to contact area measurement. Copyright © 2015 Elsevier Inc. All rights reserved.

Environmental Applications of Interfacial Materials with Special Wettability

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

Wang, Zhangxin; Elimelech, Menachem; Lin, Shihong

Interfacial materials with special wettability have become a burgeoning research area in materials science in the past decade. The unique surface properties of materials and interfaces generated by biomimetic approaches can be leveraged to develop effective solutions to challenging environmental problems. This critical review presents the concept, mechanisms, and fabrication techniques of interfacial materials with special wettability, and assesses the environmental applications of these materials for oil-water separation, membrane-based water purification and desalination, biofouling control, high performance vapor condensation, and atmospheric water collection. We also highlight the most promising properties of interfacial materials with special wettability that enable innovative environmentalmore » applications and discuss the practical challenges for large-scale implementation of these novel materials.« less

Environmental Applications of Interfacial Materials with Special Wettability

DOE PAGES

Wang, Zhangxin; Elimelech, Menachem; Lin, Shihong

2016-02-01

Interfacial materials with special wettability have become a burgeoning research area in materials science in the past decade. The unique surface properties of materials and interfaces generated by biomimetic approaches can be leveraged to develop effective solutions to challenging environmental problems. This critical review presents the concept, mechanisms, and fabrication techniques of interfacial materials with special wettability, and assesses the environmental applications of these materials for oil-water separation, membrane-based water purification and desalination, biofouling control, high performance vapor condensation, and atmospheric water collection. We also highlight the most promising properties of interfacial materials with special wettability that enable innovative environmentalmore » applications and discuss the practical challenges for large-scale implementation of these novel materials.« less

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.

Fiber reinforced solids possessing great fracture toughness: The role of interfacial strength

NASA Technical Reports Server (NTRS)

Atkins, A. G.

1974-01-01

The high tensile strength characteristic of strong interfacial filament/matrix bonding can be combined with the high fracture toughness of weak interfacial bonding, when the filaments are arranged to have alternate sections of high and low shear stress (and low and high toughness). Such weak and strong areas can be achieved by appropriate intermittent coating of the fibers. An analysis is presented for toughness and strength which demonstrates, in broad terms, the effects of varying the coating parameters of concern. Results show that the toughness of interfaces is an important parameter, differences in which may not be shown up in terms of interfacial strength. Some observations are made upon methods of measuring the components of toughness in composites.

Making and breaking bridges in a Pickering emulsion.

PubMed

French, David J; Taylor, Phil; Fowler, Jeff; Clegg, Paul S

2015-03-01

Particle bridges form in Pickering emulsions when the oil-water interfacial area generated by an applied shear is greater than that which can be stabilised by the available particles and the particles have a slight preference for the continuous phase. They can subsequently be broken by low shear or by modifying the particle wettability. We have developed a model oil-in-water system for studying particle bridging in Pickering emulsions stabilised by fluorescent Stöber silica. A mixture of dodecane and isopropyl myristate was used as the oil phase. We have used light scattering and microscopy to study the degree to which emulsions are bridged, and how this is affected by parameters including particle volume fraction, particle wettability and shear rate. We have looked for direct evidence of droplets sharing particles using freeze fracture scanning electron microscopy. We have created strongly aggregating Pickering emulsions using our model system. This aggregating state can be accessed by varying several different parameters, including particle wettability and particle volume fraction. Particles with a slight preference for the continuous phase are required for bridging to occur, and the degree of bridging increases with increasing shear rate but decreases with increasing particle volume fraction. Particle bridges can subsequently be removed by applying low shear or by modifying the particle wettability. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

Nanoparticle packing within block copolymer micelles prepared by the interfacial instability method.

PubMed

Nabar, Gauri M; Winter, Jessica O; Wyslouzil, Barbara E

2018-05-02

The interfacial instability method has emerged as a viable approach for encapsulating high concentrations of nanoparticles (NPs) within morphologically diverse micelles. In this method, transient interfacial instabilities at the surface of an emulsion droplet guide self-assembly of block co-polymers and NP encapsulants. Although used by many groups, there are no systematic investigations exploring the relationship between NP properties and micelle morphology. Here, the effect of quantum dot (QD) and superparamagnetic iron oxide NP (SPION) concentration on the shape, size, and surface deformation of initially spherical poly(styrene-b-ethylene oxide) (PS-b-PEO) micelles was examined. Multi-NP encapsulation and uniform dispersion within micelles was obtained even at low NP concentrations. Increasing NP concentration initially resulted in larger numbers of elongated micelles and cylinders with tightly-controlled diameters smaller than those of spherical micelles. Beyond a critical NP concentration, micelle formation was suppressed; the dominant morphology became densely-loaded NP structures that were coated with polymer and exhibited increased polydispersity. Transmission electron microscopy (TEM) and small angle X-ray scattering (SAXS) revealed that NPs in densely-loaded structures can be well-ordered, with packing volume fractions of up to 24%. These effects were enhanced in magnetic composites, possibly by dipole interactions. Mechanisms governing phase transitions triggered by NP loading in the interfacial instability process were proposed. The current study helps establish and elucidate the active role played by NPs in directing block copolymer assembly in the interfacial instability process, and provides important guiding principles for the use of this approach in generating NP-loaded block copolymer composites.

Flexible fiber-reinforced composites with improved interfacial adhesion by mussel-inspired polydopamine and poly(methyl methacrylate) coating.

PubMed

Yi, Mi; Sun, Hongyang; Zhang, Hongcheng; Deng, Xuliang; Cai, Qing; Yang, Xiaoping

2016-01-01

To obtain a kind of light-curable fiber-reinforced composite for dental restoration, an excellent interfacial adhesion between the fiber and the acrylate resin matrix is quite essential. Herein, surface modification on glass fibers were carried out by coating them with poly(methyl methacrylate) (PMMA), polydopamine (PDA), or both. The PMMA or PDA coating was performed by soaking fibers in PMMA/acetone solution or dopamine aqueous solution. PDA/PMMA co-coated glass fibers were obtained by further soaking PDA-coated fibers in PMMA/acetone solution. These modified fibers were impregnated with bisphenol A glycidyl methacrylate (Bis-GMA)/triethylene glycol dimethacrylate (TEGDMA) (5:5, w/w) dental resin at a volume fraction of 75%, using unmodified fibers as reference. Light-cured specimens were submitted to evaluations including flexural properties, morphological observation, dynamic mechanical thermal analysis (DMTA) and pull-out test. In comparison with unmodified glass fibers, all the modified glass fibers showed enhancements in flexural strength and modulus of Bis-GMA/TEGDMA resin composites. Results of DMTA and pull-out tests confirmed that surface modification had significantly improved the interfacial adhesion between the glass fiber and the resin matrix. Particularly, the PDA/PMMA co-coated glass fibers displayed the most efficient reinforcement and the strongest interfacial adhesion due to the synergetic effects of PDA and PMMA. It indicated that co-coating method was a promising approach in modifying the interfacial compatibility between inorganic glass fiber and organic resin matrix. Copyright © 2015 Elsevier B.V. All rights reserved.

Ice-surface adsorption enhanced colligative effect of antifreeze proteins in ice growth inhibition

NASA Astrophysics Data System (ADS)

Mao, Yougang; Ba, Yong

2006-09-01

This Communication describes a mechanism to explain antifreeze protein's function to inhibit the growth of ice crystals. We propose that the adsorption of antifreeze protein (AFP) molecules on an ice surface induces a dense AFP-water layer, which can significantly decrease the mole fraction of the interfacial water and, thus, lower the temperature for a seed ice crystal to grow in a super-cooled AFP solution. This mechanism can also explain the nearly unchanged melting point for the ice crystal due to the AFP's ice-surface adsorption. A mathematical model combining the Langmuir theory of adsorption and the colligative effect of thermodynamics has been proposed to find the equilibrium constants of the ice-surface adsorptions, and the interfacial concentrations of AFPs through fitting the theoretical curves to the experimental thermal hysteresis data. This model has been demonstrated by using the experimental data of serial size-mutated beetle Tenebrio molitor (Tm) AFPs. It was found that the AFP's ice-surface adsorptions could increase the interfacial AFP's concentrations by 3 to 4 orders compared with those in the bulk AFP solutions.

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.

Fundamental insights into interfacial catalysis.

PubMed

Gong, Jinlong; Bao, Xinhe

2017-04-03

Surface and interfacial catalysis plays a vital role in chemical industries, electrochemistry and photochemical reactions. The challenges of modern chemistry are to optimize the chemical reaction processes and understand the detailed mechanism of chemical reactions. Since the early 1960s, the foundation of surface science systems has allowed the study of surface and interfacial phenomena on atomic/molecular level, and thus brought a number of significant developments to fundamental and technological processes, such as catalysis, material science and biochemistry, just to name a few. This themed issue describes the recent advances and developments in the fundamental understanding of surface and interfacial catalysis, encompassing areas of knowledge from metal to metal oxide, carbide, graphene, hexagonal boron nitride, and transition metal dichalcogenides under ultrahigh vacuum conditions, as well as under realistic reaction conditions.

Positron Annihilation Spectroscopy as a Novel Interfacial Probe for Thin Polymeric Films and Nano-Composites

NASA Astrophysics Data System (ADS)

Awad, Somia; Chen, Hongmin; Maina, Grace; Lee, L. James; Gu, Xiaohong; Jean, Y. C.

2010-03-01

Positron annihilation spectroscopy (PAS) has been developed as a novel probe to characterize the sub-nanometer defect, free volume, profile from the surface, interfaces, and to the bulk in polymeric materials when a variable mono-energy slow positron beam is used. Free-volume hole sizes, fractions, and distributions are measurable as a function of depth at the high precision. PAS has been successfully used to study the interfacial properties of polymeric nanocomposites at different chemical bonding. In nano-scale thin polymeric films, such as in PS/SiO2, and PU/ZnO, significant variations of Tg as a function of depth and of wt% oxide are observed. Variations of Tg are dependent on strong or weak interactions between polymers and nano-scale oxides surfaces.

Dielectric inspection of erythrocyte morphology.

PubMed

Hayashi, Yoshihito; Oshige, Ikuya; Katsumoto, Yoichi; Omori, Shinji; Yasuda, Akio; Asami, Koji

2008-05-21

We performed a systematic study of the sensitivity of dielectric spectroscopy to erythrocyte morphology. Namely, rabbit erythrocytes of four different shapes were prepared by precisely controlling the pH of the suspending medium, and their complex permittivities over the frequency range from 0.1 to 110 MHz were measured and analyzed. Their quantitative analysis shows that the characteristic frequency and the broadening parameter of the dielectric relaxation of interfacial polarization are highly specific to the erythrocyte shape, while they are insensitive to the cell volume fraction. Therefore, these two dielectric parameters can be used to differentiate erythrocytes of different shapes, if dielectric spectroscopy is applied to flow-cytometric inspection of single blood cells. In addition, we revealed the applicability and limitations of the analytical theory of interfacial polarization to explain the experimental permittivities of non-spherical erythrocytes.

Morphological Consequences of Frustration in ABC Triblock Polymers

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

Radlauer, Madalyn R.; Sinturel, Christophe; Asai, Yusuke

2016-12-19

Three poly(styrene)-block-poly(isoprene)-block-poly(lactide) (PS-b-PI-b-PLA, SIL) triblock terpolymers were synthesized and characterized in the bulk and as thin films. The pronounced incompatibility of the covalently connected PI and PLA led to significant frustration and the tendency to minimize their intermaterial dividing surface area. This resulted in the formation of a core–shell cylinder morphology with exaggerated nonconstant mean curvature from triblock polymers with equal block volume fractions rather than the more typical lamellar morphology. The effect of frustration was magnified in thin films by both confinement and interfacial interactions such that the PI domains became discontinuous. Self-consistent field theory (SCFT) calculations emphasize thatmore » the marked difference in the PS/PI and PI/PLA interaction parameters promotes the formation of nonlamellar morphologies. However, SCFT predicts that lamellar morphology is more stable than the observed cylindrical morphology, demonstrating a limitation that arises from the underlying assumptions.« less

Influence of physical properties and operating parameters on hydrodynamics in Centrifugal Partition Chromatography.

PubMed

Adelmann, S; Schembecker, G

2011-08-12

Besides the selection of a suitable biphasic solvent system the separation efficiency in Centrifugal Partition Chromatography (CPC) is mainly influenced by the hydrodynamics in the chambers. The flow pattern, the stationary phase retention and the interfacial area for mass transfer strongly depend on physical properties of the solvent system and operating parameters. In order to measure these parameters we visualized the hydrodynamics in a FCPC-chamber for five different solvent systems with an optical measurement system and calculated the stationary phase retention, interfacial area and the distribution of mobile phase thickness in the chamber. Although inclined chambers were used we found that the Coriolis force always deflected the mobile phase towards the chamber wall reducing the interfacial area. This effect increased for systems with low density difference. We also have shown that the stability of phase systems (stationary phase retention) and its tendency to disperse increased for smaller values of the ratio of interfacial tension and density difference. But also the viscosity ratio and the flow pattern itself had a significant effect on retention and dispersion of the mobile phase. As a result operating parameters should be chosen carefully with respect to physical properties for a CPC system. In order to reduce the effect of the Coriolis force CPC devices with greater rotor radius are desirable. Copyright © 2011 Elsevier B.V. All rights reserved.

Interfacial thiol-ene photoclick reactions for forming multilayer hydrogels.

PubMed

Shih, Han; Fraser, Andrew K; Lin, Chien-Chi

2013-03-13

Interfacial visible light-mediated thiol-ene photoclick reactions were developed for preparing step-growth hydrogels with multilayer structures. The effect of a noncleavage type photoinitiator eosin-Y on visible-light-mediated thiol-ene photopolymerization was first characterized using in situ photorheometry, gel fraction, and equilibrium swelling ratio. Next, spectrophotometric properties of eosin-Y in the presence of various relevant macromer species were evaluated using ultraviolet-visible light (UV-vis) spectrometry. It was determined that eosin-Y was able to reinitiate the thiol-ene photoclick reaction, even after light exposure. Because of its small molecular weight, most eosin-Y molecules readily leached out from the hydrogels. The diffusion of residual eosin-Y from preformed hydrogels was exploited for fabricating multilayer step-growth hydrogels. Interfacial hydrogel coating was formed via the same visible-light-mediated gelation mechanism without adding fresh initiator. The thickness of the thiol-ene gel coating could be easily controlled by adjusting visible light exposure time, eosin-Y concentration initially loaded in the core gel, or macromer concentration in the coating solution. The major benefits of this interfacial thiol-ene coating system include its simplicity and cytocompatibility. The formation of thiol-ene hydrogels and coatings neither requires nor generates any cytotoxic components. This new gelation chemistry may have great utilities in controlled release of multiple sensitive growth factors and encapsulation of multiple cell types for tissue regeneration.

Development of large-surface Nafion-metal composite actuator and its electrochemical characterization

NASA Astrophysics Data System (ADS)

Noh, Taegeun; Tak, Yong Suk; Nam, Jaedo; Jeon, Jaewook; Kim, Hunmo; Choi, Hyoukryeol; Bae, Sang Sik

2001-07-01

Behaviors of nafion-based actuators are significantly affected by interfacial area between electrode and polymer electrolyte. Replication method was utilized to manufacture a large surface-area composite actuator. Etched aluminum foil was used as a template for replication using liquid nafion solution. Measurement of double layer charging and scanning electron microscopy indicated that interfacial area was greatly increased by replication method. Higher surface area induced a better bending performance of ionic polymer metal composite (IPMC). In parallel, the effect of cations on IPMC was interpreted with constant current experiment, linear sweep voltammetry and electrochemical impedance spectroscopy. For univalent cations, ion size is the most influencing parameter on ionic mobility inside membrane. However, ion-ion interaction affects an ionic mobility for divalent cations.

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.

Toward Perovskite Solar Cell Commercialization: A Perspective and Research Roadmap Based on Interfacial Engineering.

PubMed

Rajagopal, Adharsh; Yao, Kai; Jen, Alex K-Y

2018-06-08

High-efficiency and low-cost perovskite solar cells (PVKSCs) are an ideal candidate for addressing the scalability challenge of solar-based renewable energy. The dynamically evolving research field of PVKSCs has made immense progress in solving inherent challenges and capitalizing on their unique structure-property-processing-performance traits. This review offers a unique outlook on the paths toward commercialization of PVKSCs from the interfacial engineering perspective, relevant to both specialists and nonspecialists in the field through a brief introduction of the background of the field, current state-of-the-art evolution, and future research prospects. The multifaceted role of interfaces in facilitating PVKSC development is explained. Beneficial impacts of diverse charge-transporting materials and interfacial modifications are summarized. In addition, the role of interfaces in improving efficiency and stability for all emerging areas of PVKSC design are also evaluated. The authors' integral contributions in this area are highlighted on all fronts. Finally, future research opportunities for interfacial material development and applications along with scalability-durability-sustainability considerations pivotal for facilitating laboratory to industry translation are presented. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interfacial and topological effects on the glass transition in free-standing polystyrene films

NASA Astrophysics Data System (ADS)

Lyulin, Alexey V.; Balabaev, Nikolay K.; Baljon, Arlette R. C.; Mendoza, Gerardo; Frank, Curtis W.; Yoon, Do Y.

2017-05-01

United-atom molecular-dynamics computer simulations of atactic polystyrene (PS) were performed for the bulk and free-standing films of 2 nm-20 nm thickness, for both linear and cyclic polymers comprised of 80 monomers. Simulated volumetric glass-transition temperatures (Tg) show a strong dependence on the film thickness below 10 nm. The glass-transition temperature of linear PS is 13% lower than that of the bulk for 2.5 nm-thick films, as compared to less than 1% lower for 20 nm films. Our studies reveal that the fraction of the chain-end groups is larger in the interfacial layer with its outermost region approximately 1 nm below the surface than it is in the bulk. The enhanced population of the end groups is expected to result in a more mobile interfacial layer and the consequent dependence of Tg on the film thickness. In addition, the simulations show an enrichment of backbone aliphatic carbons and concomitant deficit of phenyl aromatic carbons in the interfacial film layer. This deficit would weaken the strong phenyl-phenyl aromatic (π -π ) interactions and, hence, lead to a lower film-averaged Tg in thin films, as compared to the bulk sample. To investigate the relative importance of the two possible mechanisms (increased chain ends at the surface or weakened π -π interactions in the interfacial region), the data for linear PS are compared with those for cyclic PS. For the cyclic PS, the reduction of the glass-transition temperature is also significant in thin films, albeit not as much as for linear PS. Moreover, the deficit of phenyl carbons in the film interface is comparable to that observed for linear PS. Therefore, chain-end effects alone cannot explain the observed pronounced Tg dependence on the thickness of thin PS films; the weakened phenyl-phenyl interactions in the interfacial region seems to be an important cause as well.

The influence of polymeric membrane gas spargers on hydrodynamics and mass transfer in bubble column bioreactors.

PubMed

Tirunehe, Gossaye; Norddahl, B

2016-04-01

Gas sparging performances of a flat sheet and tubular polymeric membranes were investigated in 3.1 m bubble column bioreactor operated in a semi batch mode. Air-water and air-CMC (Carboxymethyl cellulose) solutions of 0.5, 0.75 and 1.0 % w/w were used as interacting gas-liquid mediums. CMC solutions were employed in the study to simulate rheological properties of bioreactor broth. Gas holdup, bubble size distribution, interfacial area and gas-liquid mass transfer were studied in the homogeneous bubbly flow hydrodynamic regime with superficial gas velocity (U(G)) range of 0.0004-0.0025 m/s. The study indicated that the tubular membrane sparger produced the highest gas holdup and densely populated fine bubbles with narrow size distribution. An increase in liquid viscosity promoted a shift in bubble size distribution to large stable bubbles and smaller specific interfacial area. The tubular membrane sparger achieved greater interfacial area and an enhanced overall mass transfer coefficient (K(L)a) by a factor of 1.2-1.9 compared to the flat sheet membrane.

DNA Nanotechnology-Enabled Interfacial Engineering for Biosensor Development.

PubMed

Ye, Dekai; Zuo, Xiaolei; Fan, Chunhai

2018-06-12

Biosensors represent biomimetic analytical tools for addressing increasing needs in medical diagnosis, environmental monitoring, security, and biodefense. Nevertheless, widespread real-world applications of biosensors remain challenging due to limitations of performance, including sensitivity, specificity, speed, and reproducibility. In this review, we present a DNA nanotechnology-enabled interfacial engineering approach for improving the performance of biosensors. We first introduce the main challenges of the biosensing interfaces, especially under the context of controlling the DNA interfacial assembly. We then summarize recent progress in DNA nanotechnology and efforts to harness DNA nanostructures to engineer various biological interfaces, with a particular focus on the use of framework nucleic acids. We also discuss the implementation of biosensors to detect physiologically relevant nucleic acids, proteins, small molecules, ions, and other biomarkers. This review highlights promising applications of DNA nanotechnology in interfacial engineering for biosensors and related areas.

Fine-Tuning Nanoparticle Packing at Water-Oil Interfaces Using Ionic Strength.

PubMed

Chai, Yu; Lukito, Alysia; Jiang, Yufeng; Ashby, Paul D; Russell, Thomas P

2017-10-11

Nanoparticle-surfactants (NPSs) assembled at water-oil interfaces can significantly lower the interfacial tension and can be used to stabilize liquids. Knowing the formation and assembly and actively tuning the packing of these NPSs is of significant fundamental interest for the interfacial behavior of nanoparticles and of interest for water purification, drug encapsulation, enhanced oil recovery, and innovative energy transduction applications. Here, we demonstrate by means of interfacial tension measurements the high ionic strength helps the adsorption of NPSs to the water-oil interface leading to a denser packing of NPSs at the interface. With the reduction of interfacial area, the phase transitions from a "gas"-like to "liquid" to "solid" states of NPSs in two dimensions are observed. Finally, we provide the first in situ real-space imaging of NPSs at the water-oil interface by atomic force microcopy.

Gold-film coating assisted femtosecond laser fabrication of large-area, uniform periodic surface structures.

PubMed

Feng, Pin; Jiang, Lan; Li, Xin; Rong, Wenlong; Zhang, Kaihu; Cao, Qiang

2015-02-20

A simple, repeatable approach is proposed to fabricate large-area, uniform periodic surface structures by a femtosecond laser. 20 nm gold films are coated on semiconductor surfaces on which large-area, uniform structures are fabricated. In the case study of silicon, cross-links and broken structures of laser induced periodic surface structures (LIPSSs) are significantly reduced on Au-coated silicon. The good consistency between the scanning lines facilitates the formation of large-area, uniform LIPSSs. The diffusion of hot electrons in the Au films increases the interfacial carrier densities, which significantly enhances interfacial electron-phonon coupling. High and uniform electron density suppresses the influence of defects on the silicon and further makes the coupling field more uniform and thus reduces the impact of laser energy fluctuations, which homogenizes and stabilizes large-area LIPSSs.

Particle-induced viscous fingering

NASA Astrophysics Data System (ADS)

Lee, Sungyon

2017-11-01

An inclusion of non-colloidal particles in a Newtonian liquid can fundamentally change the interfacial dynamics and even cause interfacial instabilities. In this talk, we report a particle-induced fingering instability when a mixture of particles and viscous oil is injected radially into a Hele-Shaw cell. Our experimental results show that the onset and characteristics of fingering are most directly affected by the particle volume fraction but also depend on the ratio of the particle diameter to gap size. In particular, the formation of a particle band is observed on the interface only when the particle diameter is comparable to the channel gap thickness. This work demonstrates the complex coupling between suspensions and fluid-fluid interfaces and has broad relevance in suspension processing, particle self-assembly, and oil recovery processes. The physical mechanism behind the instability and a quantitative model are also discussed.

Understanding the interfacial chain dynamics of fiber-reinforced polymer composite

NASA Astrophysics Data System (ADS)

Goswami, Monojoy; Carrillo, Jan-Michael; Naskar, Amit; Sumpter, Bobby

The polymer-fiber interface plays a major role in determining the structural and dynamical properties of fiber reinforced composite materials. We utilized LAMMPS MD package to understand the interfacial properties at the nanoscale. Coarse-grained flexible polymer chains are introduced to compare the various structures and dynamics of the polymer chains. Our preliminary simulation study shows that the rigidity of the polymer chain affects the interfacial morphology and dynamics of the chain on a flat surface. In this work, we identified the `immobile inter-phase' morphology and relate it to rheological properties. We calculated the viscoelastic properties, e.g., shear modulus and storage modulus, which are compared with experiments. MD simulations are used to show the variation of viscoelastic properties with polymer volume fraction. The nanoscale segmental and chain relaxation are calculated from the MD simulations and compared to the experimental data. These observations will be able to identify the fundamental physics behind the effect of the polymer-fiber interactions and orientation of the fiber to the overall rheological properties of the fiber reinforced polymer matrix. Funding for the project was provided by ORNLs Laboratory Directed Research and Development (LDRD) program.

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.

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

Smart Materials, Structures, and Mathematical Issues for Active Damage Control

DTIC Science & Technology

1997-10-01

composites at both low and high velocities. The effect of low volume fractions (3% and 6%) of embedded Nitinol fibers on the impact-absorbing ability...ICI Wilton Materials Research Center General Dynamics Lockheed-Martin Hercules Aerospace Company U.S. Nitinol Owens-Corning DSB Associates...Reduction in a Plate," submitted to AIAA Journal. Paine, J. S. N., Rogers, C. A. 1993. "Characterization of Interfacial Adhesion of Nitinol Fibers

Diffusive and rotational dynamics of condensed n-H2 confined in MCM-41

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

Prisk, Timothy R; Bryan, Matthew; Sokol, Paul E

2014-01-01

In this paper, we report an inelastic neutron scattering study of liquid and solid n-H2 confined within MCM-41. This is a high surface area, mesoporous silica glass with a narrow pore size distribution centered at 3.5 nm. The scattering data provides information about the diffusive and rotational dynamics of the adsorbed n-H2 at low temperatures. In the liquid state, the neutron scattering data demonstrates that only a fraction of the adsorbed o-H2 is mobile on the picosecond time scale. This mobile fraction undergoes liquid-like jump diffusion, and values for the residence time t and effective mean-squared displacement hu2i are reportedmore » as a function of pore filling. In the solid state, the rotational energy levels of adsorbed H2 are strongly perturbed from their free quantum rotor behavior in the bulk solid. The underlying orientational potential of the hindered rotors is due to the surface roughness and heterogeneity of the MCM-41 pore walls. This potential is compared to the hindering potential of other porous silicas, such as Vycor. Strong selective adsorption makes the interfacial layer rich in o-H2, leaving the inner core volume consisting of a depleted mixture of o-H2 and p-H2.« less

Normal Gravity Testing of a Microchannel Phase Separator for In Situ Resource Utilization

NASA Technical Reports Server (NTRS)

TeGrotenhuis, Ward E.; Stenkamp, Victoria S.; McQuillen, John (Technical Monitor)

2001-01-01

A microchannel separator, with 2.7 millimeters as the smallest dimension, was tested, and a pore throat structure captured and removed liquid from a gas-liquid stream. The microchannel device was tested over a of gas and liquid flow rates ranging from 0.0005 up to 0. 14 volume fraction of liquid. Four liquids were tested with air. The biggest factor affecting the throughput is the capacity of liquid flow through the pore throat, which is dictated by permeability, liquid viscosity, flow area, pore throat thickness, and pressure difference across the pore throat. Typically, complete separation of gas and liquid fractions was lost when the liquid flow rate reached about 40 to 60% of the pore throat capacity. However, this could occur over a range of 10 to 90% utilization of pore throat capacity. Breakthrough occurs in the microchannel phase separator at conditions similar to the annular to plug flow transition of two-phase microgravity pipe flow implying that operating in the proper flow regime is crucial. Analysis indicates that the Bond number did not affect performance, supporting the premise that hydrodynamic, interfacial, and capillary forces are more important than gravity. However, the relative importance of gravity is better discerned through testing under reduced gravity conditions.

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

Viscosity and stability of ultra-high internal phase CO2-in-water foams stabilized with surfactants and nanoparticles with or without polyelectrolytes.

PubMed

Xue, Zheng; Worthen, Andrew; Qajar, Ali; Robert, Isaiah; Bryant, Steven L; Huh, Chun; Prodanović, Maša; Johnston, Keith P

2016-01-01

To date, relatively few examples of ultra-high internal phase supercritical CO2-in-water foams (also referred to as macroemulsions) have been observed, despite interest in applications including "waterless" hydraulic fracturing in energy production. The viscosities and stabilities of foams up to 0.98 CO2 volume fraction were investigated in terms of foam bubble size, interfacial tension, and bulk and surface viscosity. The foams were stabilized with laurylamidopropyl betaine (LAPB) surfactant and silica nanoparticles (NPs), with and without partially hydrolyzed polyacrylamide (HPAM). For foams stabilized with mixture of LAPB and NPs, fine ∼70 μm bubbles and high viscosities on the order of 100 cP at>0.90 internal phase fraction were stabilized for hours to days. The surfactant reduces interfacial tension, and thus facilitates bubble generation and decreases the capillary pressure to reduce the drainage rate of the lamella. The LAPB, which is in the cationic protonated form, also attracts anionic NPs (and anionic HPAM in systems containing polymer) to the interface. The adsorbed NPs at the interface are shown to slow down Ostwald ripening (with or without polymer added) and increase foam stability. In systems with added HPAM, the increase in the bulk and surface viscosity of the aqueous phase further decreases the lamella drainage rate and inhibits coalescence of foams. Thus, the added polymer increases the foam viscosity by threefold. Scaling law analysis shows the viscosity of 0.90 volume fraction foams is inversely proportional to the bubble size. Copyright © 2015 Elsevier Inc. All rights reserved.

Foam fractionation as a tool to study the air-water interface structure-function relationship of wheat gluten hydrolysates.

PubMed

Wouters, Arno G B; Rombouts, Ine; Schoebrechts, Nele; Fierens, Ellen; Brijs, Kristof; Blecker, Christophe; Delcour, Jan A

2017-03-01

Enzymatic hydrolysis of wheat gluten protein improves its solubility and produces hydrolysates with foaming properties which may find applications in food products. First, we here investigated whether foam-liquid fractionation can concentrate wheat gluten peptides with foaming properties. Foam and liquid fractions had high and very low foam stability (FS), respectively. In addition, foam fractions were able to decrease surface tension more pronouncedly than un-fractionated samples and liquid fractions, suggesting they are able to arrange themselves more efficiently at an interface. As a second objective, foam fractionation served as a tool to study the structural properties of the peptides, causing these differences in air-water interfacial behavior. Zeta potential and surface hydrophobicity measurements did not fully explain these differences but suggested that hydrophobic interactions at the air-water interface are more important than electrostatic interactions. RP-HPLC showed a large overlap between foam and liquid fractions. However, a small fraction of very hydrophobic peptides with relatively high average molecular mass was clearly enriched in the foam fraction. These peptides were also more concentrated in un-fractionated DH 2 hydrolysates, which had high FS, than in DH 6 hydrolysates, which had low FS. These peptides most likely play a key role in stabilizing the air-water interface. Copyright © 2016 Elsevier B.V. All rights reserved.

How faceted liquid droplets grow tails: from surface topology to active motion

NASA Astrophysics Data System (ADS)

Sloutskin, Eli

Among all possible shapes of a volume V, a sphere has the smallest surface area A. Therefore, liquid droplets are spherical, minimizing their interfacial energy γA for a given interfacial tension γ > 0 . This talk will demonstrate that liquid oil (alkane) droplets in water, stabilized by a common surfactant can be temperature-tuned to adopt icosahedral and other faceted shapes, above the bulk melting temperature of the oil. Although emulsions have been studied for centuries no faceted liquid droplets have ever been reported. The formation of an icosahedral shape is attributed to the interplay between γ and the elastic properties of the interfacial monomolecular layer, which crystallizes here 10-15K above bulk melting, leaving the droplet's bulk liquid. The icosahedral symmetry is dictated by twelve five-fold topological defects, forming within the hexagonally-packed interfacial crystalline monolayer. Moreover, we demonstrate that upon further cooling this `interfacial freezing' effect makes γ transiently switch its sign, leading to a spontaneous splitting of droplets and an active growth of their surface area, reminiscent of the classical spontaneous emulsification, yet driven by completely different physics. The observed phenomena allow deeper insights to be gained into the fundamentals of molecular elasticity and open new vitas for a wide range of novel nanotechnological applications, from self-assembly of complex shapes to new delivery strategies in bio-medicine. Acknowledgment is made to the Donors of the American Chemical Society Petroleum Research Fund for support of this research and to the Kahn Foundation for the purchase of equipment.

Experimental Investigation of Relative Permeability Upscaling from the Micro-Scale to the Macro-Scale

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

Pyrak-Nolte, Laura J.; Cheng, JiangTao; Yu, Ping

2003-01-29

During this reporting period, shown experimentally that the optical coherence imaging system can acquire information on grain interfaces and void shape for a maximum depth of half a millimeter into sandstone. The measurement of interfacial area per volume (IAV), capillary pressure and saturation in two dimensional micro-models structures has shown the existence of a unique relationship among these hydraulic parameters for different pore geometry. The measurement of interfacial area per volume on a three-dimensional natural sample, i.e., sandstone, has shown the homogeneity of IAV with depth in a sample when the fluids are in equilibrium.

Adhesion, friction, and wear behavior of clean metal-ceramic couples

NASA Technical Reports Server (NTRS)

Miyoshi, Kazuhisa

1995-01-01

When a clean metal is brought into contact with a clean, harder ceramic in ultrahigh vacuum, strong bonds form between the two materials. The interfacial bond strength between the metal and ceramic surfaces in sliding contact is generally greater than the cohesive bond strength in the metal. Thus, fracture of the cohesive bonds in the metal results when shearing occurs. These strong interfacial bonds and the shearing fracture in the metal are the main causes of the observed wear behavior and the transfer of the metal to the ceramic. In the literature, the surface energy (bond energy) per unit area of the metal is shown to be related to the degree of interfacial bond strength per unit area. Because the two materials of a metal-ceramic couple have markedly different ductilities, contact can cause considerable plastic deformation of the softer metal. It is the ductility of the metal, then, that determines the real area of contact. In general, the less ductile the metal, the smaller the real area of contact. The coefficient of friction for clean surfaces of metal-ceramic couples correlates with the metals total surface energy in the real area of contact gamma A (which is the product of the surface energy per unit area of the metal gamma and the real area of contact (A)). The coefficient of friction increases as gamma A increases. Furthermore, gamma A is associated with the wear and transfer of the metal at the metal-ceramic interface: the higher the value of gamma A, the greater the wear and transfer of the metal.

The ordering of symmetric diblock copolymers: A comparison of self-consistent-field and density functional approaches

NASA Astrophysics Data System (ADS)

Nath, Shyamal K.; McCoy, John D.; Curro, John G.; Saunders, Randall S.

1997-02-01

Polymer reference interaction site model (PRISM) based density functional (DF) theory is used to evaluate the structure and thermodynamics of structurally symmetric, freely jointed, diblock chains with 0.50 volume fraction. These results are compared to the results of self-consistent-field (SCF) theory. Agreement between the predictions of the SCF and DF theories is found for the lamella spacing well above the order-disorder transition (ODT) and for the qualitative behavior of the interfacial thickness as a function of both chain length and Flory-Huggins χ parameter. Disagreement is found for the magnitude of the interfacial thickness where DF theory indicates that the thickness is 1.7±0.2 times larger than that predicted by SCF theory. It appears that behavior on the monomer length scale is sensitive to system specific details which are neglected by SCF theory.

Cellulose and pectin localization in roots of mycorrhizalAllium porrum: labelling continuity between host cell wall and interfacial material.

PubMed

Bonfante-Fasolo, P; Vian, B; Perotto, S; Faccio, A; Knox, J P

1990-03-01

Two different types of contacts (or interfaces) exist between the plant host and the fungus during the vesicular-arbuscular mycorrhizal symbiosis, depending on whether the fungus is intercellular or intracellular. In the first case, the walls of the partners are in contact, while in the second case the fungal wall is separated from the host cytoplasm by the invaginated host plasmamembrane and by an interfacial material. In order to verify the origin of the interfacial material, affinity techniques which allow identification in situ of cell-wall components, were used. Cellobiohydrolase (CBH I) that binds to cellulose and a monoclonal antibody (JIM 5) that reacts with pectic components were tested on roots ofAllium porrum L. (leek) colonized byGlomus versiforme (Karst.) Berch. Both probes gave a labelling specific for the host cell wall, but each probe labelled over specific and distinct areas. The CBH I-colloidal gold complex heavily labelled the thick epidermal cell walls, whereas JIM 5 only labelled this area weakly. Labelling of the hypodermis was mostly on intercellular material after treatment with JIM 5 and only on the wall when CBH I was used. Suberin bands found on the radial walls were never labelled. Cortical cells were mostly labelled on the middle lamella with JIM 5 and on the wall with CBH I. Gold granules from the two probes were found in interfacial material both near the point where the fungus enters the cell and around the thin hyphae penetrating deep into the cell. The ultrastructural observations demonstrate that cellulose and pectic components have different but complementary distributions in the walls of root cells involved in the mycorrhizal symbiosis. These components show a similar distribution in the interfacial material laid down around the vesicular-arbuscular mycorrhizal fungus indicating that the interfacial material is of host origin.

Scaling Effects on Materials Tribology: From Macro to Micro Scale.

PubMed

Stoyanov, Pantcho; Chromik, Richard R

2017-05-18

The tribological study of materials inherently involves the interaction of surface asperities at the micro to nanoscopic length scales. This is the case for large scale engineering applications with sliding contacts, where the real area of contact is made up of small contacting asperities that make up only a fraction of the apparent area of contact. This is why researchers have sought to create idealized experiments of single asperity contacts in the field of nanotribology. At the same time, small scale engineering structures known as micro- and nano-electromechanical systems (MEMS and NEMS) have been developed, where the apparent area of contact approaches the length scale of the asperities, meaning the real area of contact for these devices may be only a few asperities. This is essentially the field of microtribology, where the contact size and/or forces involved have pushed the nature of the interaction between two surfaces towards the regime where the scale of the interaction approaches that of the natural length scale of the features on the surface. This paper provides a review of microtribology with the purpose to understand how tribological processes are different at the smaller length scales compared to macrotribology. Studies of the interfacial phenomena at the macroscopic length scales (e.g., using in situ tribometry) will be discussed and correlated with new findings and methodologies at the micro-length scale.

Scaling Effects on Materials Tribology: From Macro to Micro Scale

PubMed Central

Stoyanov, Pantcho; Chromik, Richard R.

2017-01-01

The tribological study of materials inherently involves the interaction of surface asperities at the micro to nanoscopic length scales. This is the case for large scale engineering applications with sliding contacts, where the real area of contact is made up of small contacting asperities that make up only a fraction of the apparent area of contact. This is why researchers have sought to create idealized experiments of single asperity contacts in the field of nanotribology. At the same time, small scale engineering structures known as micro- and nano-electromechanical systems (MEMS and NEMS) have been developed, where the apparent area of contact approaches the length scale of the asperities, meaning the real area of contact for these devices may be only a few asperities. This is essentially the field of microtribology, where the contact size and/or forces involved have pushed the nature of the interaction between two surfaces towards the regime where the scale of the interaction approaches that of the natural length scale of the features on the surface. This paper provides a review of microtribology with the purpose to understand how tribological processes are different at the smaller length scales compared to macrotribology. Studies of the interfacial phenomena at the macroscopic length scales (e.g., using in situ tribometry) will be discussed and correlated with new findings and methodologies at the micro-length scale. PMID:28772909

Insights in the Diffusion Controlled Interfacial Flow Synthesis of Au Nanostructures in a Microfluidic System.

PubMed

Kulkarni, Amol A; Sebastian Cabeza, Victor

2017-12-19

Continuous segmented flow interfacial synthesis of Au nanostructures is demonstrated in a microchannel reactor. This study brings new insights into the growth of nanostructures at continuous interfaces. The size as well as the shape of the nanostructures showed significant dependence on the reactant concentrations, reaction time, temperature, and surface tension, which actually controlled the interfacial mass transfer. The microchannel reactor assisted in achieving a high interfacial area, as well as uniformity in mass transfer effects. Hexagonal nanostructures were seen to be formed in synthesis times as short as 10 min. The wettability of the channel showed significant effect on the particle size as well as the actual shape. The hydrophobic channel yielded hexagonal structures of relatively smaller size than the hydrophilic microchannel, which yielded sharp hexagonal bipyramidal particles (diagonal distance of 30 nm). The evolution of particle size and shape for the case of hydrophilic microchannel is also shown as a function of the residence time. The interfacial synthesis approach based on a stable segmented flow promoted an excellent control on the reaction extent, reduction in axial dispersion as well as the particle size distribution.

Reversible Control of Interfacial Magnetism through Ionic-Liquid-Assisted Polarization Switching

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

Herklotz, Andreas; Guo, Er-Jia; Wong, Anthony T.

The ability to control magnetism of materials via electric field enables a myriad of technological innovations in information storage, sensing, and computing. In this paper, we use ionic-liquid-assisted ferroelectric switching to demonstrate reversible modulation of interfacial magnetism in a multiferroic heterostructure composed of ferromagnetic (FM) La 0.8Sr 0.2MnO 3 and ferroelectric (FE) PbZr 0.2Ti 0.8O 3. It is shown that ionic liquids can be used to persistently and reversibly switch a large area of a FE film. Finally, this is a prerequisite for polarized neutron reflectometry (PNR) studies that are conducted to directly probe magnetoelectric coupling of the FE polarizationmore » to the interfacial magnetization.« less

Reversible Control of Interfacial Magnetism through Ionic-Liquid-Assisted Polarization Switching

DOE PAGES

Herklotz, Andreas; Guo, Er-Jia; Wong, Anthony T.; ...

2017-02-06

The ability to control magnetism of materials via electric field enables a myriad of technological innovations in information storage, sensing, and computing. In this paper, we use ionic-liquid-assisted ferroelectric switching to demonstrate reversible modulation of interfacial magnetism in a multiferroic heterostructure composed of ferromagnetic (FM) La 0.8Sr 0.2MnO 3 and ferroelectric (FE) PbZr 0.2Ti 0.8O 3. It is shown that ionic liquids can be used to persistently and reversibly switch a large area of a FE film. Finally, this is a prerequisite for polarized neutron reflectometry (PNR) studies that are conducted to directly probe magnetoelectric coupling of the FE polarizationmore » to the interfacial magnetization.« less

Synthesis and electrochemical properties of polyaniline nanofibers by interfacial polymerization.

PubMed

Manuel, James; Ahn, Jou-Hyeon; Kim, Dul-Sun; Ahn, Hyo-Jun; Kim, Ki-Won; Kim, Jae-Kwang; Jacobsson, Per

2012-04-01

Polyaniline nanofibers were prepared by interfacial polymerization with different organic solvents such as chloroform and carbon tetrachloride. Field emission scanning electron microscopy and transmission electron microscopy were used to study the morphological properties of polyaniline nanofibers. Chemical characterization was carried out using Fourier transform infrared spectroscopy, UV-Vis spectroscopy, and X-ray diffraction spectroscopy and surface area was measured using BET isotherm. Polyaniline nanofibers doped with lithium hexafluorophosphate were prepared and their electrochemical properties were evaluated.

Interfacial Engineered Polyaniline/Sulfur-Doped TiO2 Nanotube Arrays for Ultralong Cycle Lifetime Fiber-Shaped, Solid-State Supercapacitors.

PubMed

Li, Chun; Wang, Zhuanpei; Li, Shengwen; Cheng, Jianli; Zhang, Yanning; Zhou, Jingwen; Yang, Dan; Tong, Dong-Ge; Wang, Bin

2018-05-30

Fiber-shaped supercapacitors (FSCs) have great promises in wearable electronics applications. However, the limited specific surface area and inadequate structural stability caused by the weak interfacial interactions of the electrodes result in relatively low specific capacitance and unsatisfactory cycle lifetime. Herein, solid-state FSCs with high energy density and ultralong cycle lifetime based on polyaniline (PANI)/sulfur-doped TiO 2 nanotube arrays (PANI/S-TiO 2 ) are fabricated by interfacial engineering. The experimental results and ab initio calculations reveal that S doping can effectively promote the conductivity of titania nanotubes and increase the binding energy of PANI anchored on the electrode surface, leading to a much stronger binding of PANI on the surface of the electrode and excellent electrode structure stability. As a result, the FSCs using the PANI/S-TiO 2 electrodes deliver a high specific capacitance of 91.9 mF cm -2 , a capacitance retention of 93.78% after 12 000 charge-discharge cycles, and an areal energy density of 3.2 μW h cm -2 . Meanwhile, the all-solid-state FSC device retains its excellent flexibility and stable electrochemical capacitance even after bending 150 cycles. The enhanced performances of FSCs could be attributed to the large surface area, reduced ion diffusion path, improved electrical conductivity, and engineered interfacial interaction of the rationally designed electrodes.

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

The criterion of subscale sufficiency and its application to the relationship between static capillary pressure, saturation and interfacial areas.

PubMed

Kurzeja, Patrick

2016-05-01

Modern imaging techniques, increased simulation capabilities and extended theoretical frameworks, naturally drive the development of multiscale modelling by the question: which new information should be considered? Given the need for concise constitutive relationships and efficient data evaluation; however, one important question is often neglected: which information is sufficient? For this reason, this work introduces the formalized criterion of subscale sufficiency. This criterion states whether a chosen constitutive relationship transfers all necessary information from micro to macroscale within a multiscale framework. It further provides a scheme to improve constitutive relationships. Direct application to static capillary pressure demonstrates usefulness and conditions for subscale sufficiency of saturation and interfacial areas.

Liquid-Phase Heat-Release Rates of the Systems Hydrazine-Nitric Acid and Unsymmetrical Dimethylhydrazine-Nitric Acid

NASA Technical Reports Server (NTRS)

Somogyi, Dezso; Feiler, Charles E.

1960-01-01

The initial rates of heat release produced by the reactions of hydrazine and unsymmetrical dimethylhydrazine with nitric acid were determined in a bomb calorimeter under conditions of forced mixing. Fuel-oxidant weight ratio and injection velocity were varied. The rate of heat release apparently depended on the interfacial area between the propellants. Above a narrow range of injection velocities representing a critical amount of interfacial area, the rates reached a maximum and were almost constant with injection velocity. The maximum rate for hydrazine was about 70 percent greater than that for unsymmetrical dimethylhydrazine. The total heat released did not vary with mixture ratio over the range studied.

Molecular simulation of the water-triolein-oleic acid mixture: Local structure and thermodynamic properties

NASA Astrophysics Data System (ADS)

Couallier, E.; Riaublanc, A.; David Briand, E.; Rousseau, B.

2018-05-01

An artificial oil-in-water emulsion analogous to those found in bioresources or food matrices is simulated and studied experimentally. It is composed of one of the major natural free fatty acids (the oleic acid, OA) and the corresponding triacylglyceride (trioleic glyceride, or triolein, GTO). Because of the large time and length scales involved, the molecular simulations are done with the Martini force field, a coarse-grained model. This allowed us to study the water-OA-GTO system at different compositions with more than 20 000 molecules and up to 2 μs. Interfacial tension was measured using the pendant drop method and compared with molecular simulation results. We observe very good agreement at high OA concentrations and deviations up to 15% at low OA concentrations. The water solubility in the lipid phase is in fair agreement with experiments, between 0.03 and 0.32 mol/l, rising with the OA content. The area occupied by OA and GTO at the interface between water and the pure product fitted with experimental data (AOA = 36.6 Å2 and AGTO = 152.1 Å2). The consistency between simulation and experimental results allowed a structural analysis of the interface. A bilayer structure of the lipids at the water/oil interface is proposed, containing preferentially oleic acid but also triolein. Through all these results, the usefulness of coarse-grained simulation for the description of water-oil interfacial organization is demonstrated. This method will be used later to bring local information on the organization of target compounds, necessary in biomass fractionation processes or food additive formulations, for example.

β-lactoglobulin stabilized nanemulsions--Formulation and process factors affecting droplet size and nanoemulsion stability.

PubMed

Ali, Ali; Mekhloufi, Ghozlene; Huang, Nicolas; Agnely, Florence

2016-03-16

To avoid the toxicological concerns associated to synthetic surfactants, proteins might be an alternative for the stabilization of pharmaceutical nanoemulsions. The present study investigates the use of β-lactoglobulin (β-lg) to stabilize oil in water biocompatible nanoemulsions intended for a pharmaceutical use and prepared by high pressure homogenization (HPH). The effects of composition (nature and weight fraction of oil, β-lg concentration) and of process parameters (pressure and number of cycles) on the droplet size and on the stability of nanoemulsions were thoroughly assessed. The nanoemulsions prepared with β-lg at 1 wt% and with 5 wt% Miglyol 812 (the oil with the lowest viscosity) displayed a relatively small particle size (about 200 nm) and a low polydispersity when a homogenization pressure of 100 MPa was applied for 4 cycles. These nanoemulsions were the most stable formulations over 30 days at least. Emulsification efficiency of β-lg was reduced at higher homogenization pressures (200 MPa and 300 MPa). The effect of HPH process on the interfacial properties of β-lg was evaluated by drop shape analysis. This treatment had an effect neither on the interfacial tension nor on the interfacial dilatational rheology of β-lg at the Miglyol 812/water interface. Copyright © 2016 Elsevier B.V. All rights reserved.

Dynamic Stabilization of Metal Oxide–Water Interfaces

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

McBriarty, Martin E.; von Rudorff, Guido Falk; Stubbs, Joanne E.

2017-02-08

The interaction of water with metal oxide surfaces plays a crucial role in the catalytic and geochemical behavior of metal oxides. In a vast majority of studies, the interfacial structure is assumed to arise from a relatively static lowest energy configuration of atoms, even at room temperature. Using hematite (α-Fe2O3) as a model oxide, we show through a direct comparison of in situ synchrotron X-ray scattering with density functional theory-based molecular dynamics simulations that the structure of the (1102) termination is dynamically stabilized by picosecond water exchange. Simulations show frequent exchanges between terminal aquo groups and adsorbed water in locationsmore » and with partial residence times consistent with experimentally determined atomic sites and fractional occupancies. Frequent water exchange occurs even for an ultrathin adsorbed water film persisting on the surface under a dry atmosphere. The resulting time-averaged interfacial structure consists of a ridged lateral arrangement of adsorbed water molecules hydrogen bonded to terminal aquo groups. Surface pKa prediction based on bond valence analysis suggests that water exchange will influence the proton-transfer reactions underlying the acid/base reactivity at the interface. Our findings provide important new insights for understanding complex interfacial chemical processes at metal oxide–water interfaces.« less

On the thermodynamics of particle-stabilized emulsions: curvature effects and catastrophic phase inversion.

PubMed

Kralchevsky, P A; Ivanov, I B; Ananthapadmanabhan, K P; Lips, A

2005-01-04

The flexural properties of a particle adsorption monolayer are investigated theoretically. If the particles are not densely packed, the interfacial bending moment and the spontaneous curvature (due to the particles) are equal to zero. The situation changes if the particles are closely packed. Then the particle adsorption monolayer possesses a significant bending moment, and the interfacial energies of bending and dilatation become comparable. In this case, the bending energy can either stabilize or destabilize the Pickering emulsion, depending on whether the particle contact angle is smaller or greater than 90 degrees . Theoretical expressions are derived for the bending moment, for the curvature elastic modulus, and for the work of interfacial deformation and emulsification. The latter is dominated by the work for creation of a new oil-water interface and by the work for particle adsorption. The curvature effects give a contribution of second order, which is significant only for emulsification at 50:50 water/oil volume fractions. A thermodynamic criterion for the type of the formed emulsion is proposed. It predicts the existence of a catastrophic phase inversion in particle-stabilized emulsions, in agreement with the experimental observations. The derived theoretical expressions could find application for interpretation of experimental data on production and stability of Pickering emulsions.

Influence of Cholesterol on the Dynamics of Hydration in Phospholipid Bilayers.

PubMed

Elola, M Dolores; Rodriguez, Javier

2018-06-07

We investigate the dynamics of interfacial waters in dipalmitoylphosphatidylcholine (DPPC) bilayers upon the addition of cholesterol, by molecular dynamics simulations. Our data reveal that the inclusion of cholesterol modifies the membrane aqueous interfacial dynamics: waters diffuse faster, their rotational decay time is shorter, and the DPPC/water hydrogen bond dynamics relaxes faster than in the pure DPPC membrane. The observed acceleration of the translational water dynamics agrees with recent experimental results, in which, by means of NMR techniques, an increment of the surface water diffusivity is measured upon the addition of cholesterol. A microscopic analysis of the lipid/water hydrogen bond network at the interfacial region suggests that the mechanism underlying the observed water mobility enhancement is given by the rupture of a fraction of interlipid water bridge hydrogen bonds connecting two different DPPC molecules, concomitant to the formation of new lipid/solvent bonds, whose dynamics is faster than that of the former. The consideration of a simple two-state model for the decay of the hydrogen bond correlation function yielded excellent results, obtaining two well-separated characteristic time scales: a slow one (∼250 ps) associated with bonds linking two DPPC molecules, and a fast one (∼15 ps), related to DPPC/solvent bonds.

Permeability and 3-Dimensional Melt Distribution in Partially Molten Rocks

NASA Astrophysics Data System (ADS)

Zhu, Wen-Lu; Gaetani, Glenn; Fusseis, Florian

2010-05-01

Quantitative knowledge of the distribution of small amounts of silicate melt in peridotite and of its influence on permeability are critical to our understanding of melt migration and segregation processes in the upper mantle, as well as interpretations of the geochemical and geophysical observations at ocean ridges. For a system containing a single solid phase of isotropic interfacial energy, chemical and mechanical equilibrium requires a constant mean curvature of solid-melt interfaces and a single dihedral angle. Under these conditions, a simple power-law relationship between permeability, grain size and melt fraction, has been derived [e.g., von Bargen and Waff, 1986]. However, microstructural observations on texturally equilibrated, partially molten rocks reveal that the melt distribution is more complex than predicted by the isotropic model. Several factors, such as non-hydrostatic stress, anisotropic interfacial energy, or the presence of a second solid phase, will alter the power-law relationship. Better estimates for the permeability of partially molten rock require an accurate assessment of 3-dimensional melt distribution at the grain-scale. Existing studies of melt distribution, carried out on 2-D slices through experimental charges, have produced divergent models for melt distribution at small melt fractions. While some studies conclude that small amounts of melt are distributed primarily along 3-grain junctions [e.g., Wark et al., 2003], others predict an important role for melt distribution along grain boundaries at low melt fractions [e.g., Faul 1997]. Using X-ray synchrotron microtomography, we have carried out the first high quality non-destructive imaging of 3-dimensional melt distribution in experimentally equilibrated olivine-basalt aggregates [Zhu et al., 2009]. Microtomographic images of melt distribution were obtained on 1 mm cylindrical cores with melt fractions of 0.2, 0.1, and 0.02, at a spatial resolution of 0.7 microns. Textual information such as melt channel size and channel connectivity was determined using AVIZO and MATLAB. Our data indicate that as melt fraction decreases from 0.2 to 0.02, grain size increases slightly whereas melt interconnectivity decreases. Network modeling and the Lattice Boltzmann method provide a quantitative link between the macroscale transport properties and microscale melt distribtution. Incorporating our quantitative 3-D melt distribution data into these models allow us to simulate melt transport and, thereby, calculate the permeability and electrical conductivity of partially molten peridotite, especially at low melt fractions.

Photocurrent Cancellation Due to Barrier Asymmetry in GaAs/AlGaAs Heterostructure Infrared Detectors

DTIC Science & Technology

2014-05-01

with previous work published on QWIP current mechanisms. The Barrier Workfunction and Collection Efficiency give the relevant values obtained by using...infrared photodetectors ( QWIPs ,) multiple quantum well (MQW,) and superlattice structures. 15 2.5.1 Heterojunction Interfacial Workfunction Internal...for aluminum fractions of x = 0.28, 0.37, and 0.57, respectively. Similar results were found previously14 by Tsai et. al. in GaAs/AlGaAs QWIPs

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.

Unusual dewetting of thin polymer films in liquid media containing a poor solvent and a nonsolvent.

PubMed

Xu, Lin; Sharma, Ashutosh; Joo, Sang Woo; Liu, Hui; Shi, Tongfei

2014-12-16

We investigate the control of pattern size and kinetics in spontaneous dewetting of thin polymer films (polystyrene) that are stable to thermal annealing by annealing in a poor solvent (acetone)/nonsolvent (ethanol or n-hexane) liquid mixture. Dewetting occurs by the formation and growth of circular holes that coalesce to form droplets. The influence of the nature and the volume fraction of the nonsolvents on the contact angle of polymer droplets, number density of holes, and the kinetics of holes formation and growth is studied. Addition of ethanol greatly increases the hole density and slows down the kinetics substantially, while affecting only a small change in wettability. n-Hexane addition shows an interesting nonmonotonic response in decreasing the hole density and contact angle in the volume fraction range of 0-0.3 but an opposite effect beyond that. Although the two nonsolvents chosen cannot by themselves induce dewetting, their relative affinity for the solid substrate vis-à-vis acetone can strongly influence the observed dewetting scenarios that are not understood by the existing theoretical considerations. n-Hexane, for example, has great affinity for silicon substrate. In addition to the changes in wettability, viscosity, and film interfacial tension engendered by the nonsolvents, the possibility of the formation of adsorbed liquid layers at the substrate-polymer interface, which can modify the interfacial friction and slippage, needs to be considered.

Systematic Approach to Electrostatically Induced 2D Crystallization of Nanoparticles at Liquid Interfaces

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

Fukuto, M.; Kewalramani, S.; Wang, S.

2011-02-07

We report an experimental demonstration of a strategy for inducing two-dimensional (2D) crystallization of charged nanoparticles on oppositely charged fluid interfaces. This strategy aims to maximize the interfacial adsorption of nanoparticles, and hence their lateral packing density, by utilizing a combination of weakly charged particles and a high surface charge density on the planar interface. In order to test this approach, we investigated the assembly of cowpea mosaic virus (CPMV) on positively charged lipid monolayers at the aqueous solution surface, by means of in situ X-ray scattering measurements at the liquid-vapor interface. The assembly was studied as a function ofmore » the solution pH, which was used to vary the charge on CPMV, and of the mole fraction of the cationic lipid in the binary lipid monolayer, which set the interface charge density. The 2D crystallization of CPMV occurred in a narrow pH range just above the particle's isoelectric point, where the particle charge was weakly negative, and only when the cationic-lipid fraction in the monolayer exceeded a threshold. The observed 2D crystals exhibited nearly the same packing density as the densest lattice plane within the known 3D crystals of CPMV. The above electrostatic approach of maximizing interfacial adsorption may provide an efficient route to the crystallization of nanoparticles at aqueous interfaces.« less

Interfacial layering and capillary roughness in immiscible liquids.

PubMed

Geysermans, P; Pontikis, V

2010-08-21

The capillary roughness and the atomic density profiles of extended interfaces between immiscible liquids are determined as a function of the interface area by using molecular dynamics and Lennard-Jones (12-6) potentials. We found that with increasing area, the interface roughness diverges logarithmically, thus fitting the theoretical mean-field prediction. In systems small enough for the interfacial roughness not to blur the structural details, atomic density profiles across the fluid interface are layered with correlation length in the range of molecular correlations in liquids. On increasing the system size, the amplitude of the thermally excited position fluctuations of the interface increases, thus causing layering to rapidly vanish, if density profiles are computed without special care. In this work, we present and validate a simple method, operating in the direct space, for extracting from molecular dynamics trajectories the "intrinsic" structure of a fluid interface that is the local density profile of the interface cleaned from capillary wave effects. Estimated values of interfacial properties such as the tension, the intrinsic width, and the lower wavelength limit of position fluctuations are in agreement with results collected from the literature.

A coated rigid elliptical inclusion loaded by a couple in the presence of uniform interfacial and hoop stresses

NASA Astrophysics Data System (ADS)

Wang, Xu; Schiavone, Peter

2018-06-01

We consider a confocally coated rigid elliptical inclusion, loaded by a couple and introduced into a remote uniform stress field. We show that uniform interfacial and hoop stresses along the inclusion-coating interface can be achieved when the two remote normal stresses and the remote shear stress each satisfy certain conditions. Our analysis indicates that: (i) the uniform interfacial tangential stress depends only on the area of the inclusion and the moment of the couple; (ii) the rigid-body rotation of the rigid inclusion depends only on the area of the inclusion, the coating thickness, the shear moduli of the composite and the moment of the couple; (iii) for given remote normal stresses and material parameters, the coating thickness and the aspect ratio of the inclusion are required to satisfy a particular relationship; (iv) for prescribed remote shear stress, moment and given material parameters, the coating thickness, the size and aspect ratio of the inclusion are also related. Finally, a harmonic rigid inclusion emerges as a special case if the coating and the matrix have identical elastic properties.

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.

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.

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

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.

Nanoscale Structure-Property Relationships of Polyacrylonitrile/CNT Composites as a Function of Polymer Crystallinity and CNT Diameter.

PubMed

Gissinger, Jacob R; Pramanik, Chandrani; Newcomb, Bradley; Kumar, Satish; Heinz, Hendrik

2018-01-10

Polyacrylonitrile (PAN)/carbon nanotube (CNT) composites are used as precursors for ultrastrong and lightweight carbon fibers. However, insights into the structure at the nanoscale and the relationships to mechanical and thermal properties have remained difficult to obtain. In this study, molecular dynamics simulation with accurate potentials and available experimental data were used to describe the influence of different degrees of PAN preorientation and CNT diameter on the atomic-scale structure and properties of the composites. The inclusion of CNTs in the polymer matrix is favored for an intermediate degree of PAN orientation and small CNT diameter whereas high PAN crystallinity and larger CNT diameter disfavor CNT inclusion. The glass transition at the CNT/PAN interface involves the release of rotational degrees of freedom of the polymer backbone and increased mobility of the protruding nitrile side groups in contact with the carbon nanotubes. The glass-transition temperature of the composite increases in correlation with the amount of CNT/polymer interfacial area per unit volume, i.e., in the presence of CNTs, for higher CNT volume fraction,  and inversely with CNT diameter. The increase in glass-transition temperature upon CNT addition is larger for PAN of lower crystallinity than for PAN of higher crystallinity. Interfacial shear strengths of the composites are higher for CNTs of smaller diameter and for PAN with preorientation, in correlation with more favorable CNT inclusion energies. The lowest interfacial shear strength was observed in amorphous PAN for the same CNT diameter. PAN with ∼75% crystallinity exhibited hexagonal patterns of nitrile groups near and far from the CNT interface which could influence carbonization into regular graphitic structures. The results illustrate the feasibility of near-quantitative insights into macroscale properties of polymer/CNT composites from simulations of nanometer-scale composite domains. Guidance is most effective when key assumptions in experiment and simulation are closely aligned, such as exfoliation versus bundling of CNTs, size, type, potential defects of CNTs, and precise measures for polymer crystallinity.

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.

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.

The criterion of subscale sufficiency and its application to the relationship between static capillary pressure, saturation and interfacial areas

PubMed Central

2016-01-01

Modern imaging techniques, increased simulation capabilities and extended theoretical frameworks, naturally drive the development of multiscale modelling by the question: which new information should be considered? Given the need for concise constitutive relationships and efficient data evaluation; however, one important question is often neglected: which information is sufficient? For this reason, this work introduces the formalized criterion of subscale sufficiency. This criterion states whether a chosen constitutive relationship transfers all necessary information from micro to macroscale within a multiscale framework. It further provides a scheme to improve constitutive relationships. Direct application to static capillary pressure demonstrates usefulness and conditions for subscale sufficiency of saturation and interfacial areas. PMID:27279769

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.

Inclusion models of tensile fracture in fiber-reinforced brittle-matrix composites. Ph.D. Thesis

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

Tsai, W.

1993-12-31

Inclusion models of tensile fracture in fiber-reinforced brittle-matrix composites are proposed in this study. Three stages of matrix cracking including initiation of microcracks, propagation of a bridged crack and multiplication of periodic cracks are modeled using the unique approach - Eshelby`s equivalent inclusion method. Moreover, the interfacial debonding may occur during matrix cracking and is taken into account by the present analysis. After interfacial debonding initiates, the fiber slides against the friction which is assumed to be constant in chapter 2 and chapter 3. However, the fiber-matrix interfaces are assumed to be Coulomb`s friction controlled in chapter 4. Energy releasemore » rate and crack resistance are obtained analytically. From the fracture criterion, the equivalence of energy release rate and crack resistance, the critical applied stress is also obtained. On the critical applied stress the effects of material parameters such as interfacial frictional stress, interfacial surface energy, volume fraction of fibers, misfit strain are evaluated. These evaluations are important for the purpose of material design. Finally, it is attempted in chapter 5 to solve the crack-inhomogeneity interaction problem inhomogeneities. First, the formulation of two inhomogeneities without overlapping is derived in detail. When one of the inhomogeneities is the penny-shape crack and the other one is the ellipsoidal inhomogeneity, the interaction energy between the crack and the applied stress and the energy release rate of the crack are evaluated. Based on the framework of this chapter, one can deal with the real configuration including many inhomogeneities in the similar way. Also, the misfit strains due to thermal mismatch, phase transformation et al. can be included in the present analysis with no difficulty.« less

Interfacial Interaction in Anodic Aluminum Oxide Templates Modifies Morphology, Surface Area, and Crystallization of Polyamide-6 Nanofibers.

PubMed

Xue, Junhui; Xu, Yizhuang; Jin, Zhaoxia

2016-03-08

Here, we demonstrated that, when the precipitation process of polyamide-6 (PA6) solution happens in cylindrical channels of an anodized aluminum oxide membrane (AAO), interface interactions between a solid surface, solvent, non-solvent, and PA6 will influence the obtained polymer nanostructures, resulting in complex morphologies, increased surface area, and crystallization changes. With the enhancing interaction of PA6 and the AAO surface, the morphology of PA6 nanostructures changes from solid nanofibers, mesoporous, to bamboo-like, while at the same time, metastable γ-phase domains increase in these PA6 nanostructures. Brunauer-Emmett-Teller (BET) surface areas of solid, bamboo-like, and mesoporous PA6 nanofibers rise from 16, 20.9, to 25 m(2)/g. This study shows that interfacial interaction in AAO template fabrication can be used in manipulating the morphology and crystallization of one-dimensional polymer nanostructures. It also provides us a simple and novel method to create porous PA6 nanofibers with a large surface area.

Interfacial dilatational deformation accelerates particle formation in monoclonal antibody solutions.

PubMed

Lin, Gigi L; Pathak, Jai A; Kim, Dong Hyun; Carlson, Marcia; Riguero, Valeria; Kim, Yoen Joo; Buff, Jean S; Fuller, Gerald G

2016-04-14

Protein molecules are amphiphilic moieties that spontaneously adsorb at the air/solution (A/S) interface to lower the surface energy. Previous studies have shown that hydrodynamic disruptions to these A/S interfaces can result in the formation of protein aggregates that are of concern to the pharmaceutical industry. Interfacial hydrodynamic stresses encountered by protein therapeutic solutions under typical manufacturing, filling, and shipping conditions will impact protein stability, prompting a need to characterize the contribution of basic fluid kinematics to monoclonal antibody (mAb) destabilization. We demonstrate that dilatational surface deformations are more important to antibody stability when compared to constant-area shear of the A/S interface. We have constructed a dilatational interfacial rheometer that utilizes simultaneous pressure and bubble shape measurements to study the mechanical stability of mAbs under interfacial aging. It has a distinct advantage over methods utilizing the Young-Laplace equation, which incorrectly describes viscoelastic interfaces. We provide visual evidence of particle ejection from dilatated A/S interfaces and spectroscopic data of ejected mAb particles. These rheological studies frame a molecular understanding of the protein-protein interactions at the complex-fluid interface.

Failure Resistance of Fiber-Reinforced Ultra-High Performance Concrete (FRUHPC) Subjected to Blast Loading

NASA Astrophysics Data System (ADS)

Ellis, Brett; Zhou, Min; McDowell, David

2011-06-01

As part of a hierarchy-based computational materials design program, a fully dynamic 3D mesoscale model is developed to quantify the effects of energy storage and dissipation mechanisms in Fiber-Reinforced Ultra-High Performance Concretes (FRUHPCs) subjected to blast loading. This model accounts for three constituent components: reinforcement fibers, cementitious matrix, and fiber-matrix interfaces. Microstructure instantiations encompass a range of fiber volume fraction (0-2%), fiber length (10-15 mm), and interfacial bonding strength (1-100 MPa). Blast loading with scaled distances between 5 and 10 m/kg1/3 are considered. Calculations have allowed the delineation and characterization of the evolutions of kinetic energy, strain energy, work expended on interfacial damage and failure, frictional dissipation along interfaces, and bulk dissipation through granular flow as functions of microstructure, loading and constituent attributes. The relations obtained point out avenues for designing FRUHPCs with properties tailored for specific load environments and reveal trade-offs between various design scenarios.

Polydispersity-Driven Block Copolymer Amphiphile Self-Assembly into Prolate-Spheroid Micelles

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

Schmitt, Andrew L.; Repollet-Pedrosa, Milton H.; Mahanthappa, Mahesh K.

The aqueous self-assembly behavior of polydisperse poly(ethylene oxide-b-1,4-butadiene-b-ethylene oxide) (OBO) macromolecular triblock amphiphiles is examined to discern the implications of continuous polydispersity in the hydrophobic block on the resulting aqueous micellar morphologies of otherwise monodisperse polymer surfactants. The chain length polydispersity and implicit composition polydispersity of these samples furnishes a distribution of preferred interfacial curvatures, resulting in dilute aqueous block copolymer dispersions exhibiting coexisting spherical and rod-like micelles with vesicles in a single sample with a O weight fraction, w{sub O}, of 0.18. At higher w{sub O} = 0.51-0.68, the peak in the interfacial curvature distribution shifts and we observemore » the formation of only American football-shaped micelles. We rationalize the formation of these anisotropically shaped aggregates based on the intrinsic distribution of preferred curvatures adopted by the polydisperse copolymer amphiphiles and on the relief of core block chain stretching by chain-length-dependent intramicellar segregation.« less

Improving the chemical compatibility of sealing glass for solid oxide fuel cells: Blocking the reactive species by controlled crystallization

NASA Astrophysics Data System (ADS)

Zhang, Teng; Zou, Qi; Zeng, Fanrong; Wang, Shaorong; Tang, Dian; Yang, Hiswen

2012-10-01

The chemical compatibility of sealing glass is of great importance for Solid oxide fuel cell (SOFC). In this work, the interfacial reaction between sealing glass and Cr-containing interconnect alloy is characterized by reacting Cr2O3 powders with a representative SrO-containing glass crystallized by different heat-treatment schedules. The crystalline structure and crystalline content of sealing glass are determined by X-ray diffraction. The results show that the fraction of Cr6+ decreases from 39.8 ± 1.9% for quenched glass to 8.2 ± 0.4% for glass crystallized at 900 °C for 2 h. In addition, the interfacial reaction can be further reduced with increasing crystallization temperature and time as well as the addition of nucleation agent (TiO2). The formation of some Sr-containing crystalline phases, Sr2SiO4 and Sr(TiO3), contributes to the improvement of chemical compatibility of sealing glass, in agreement with the results of thermodynamic calculations.

Enhanced emulsifying properties of wood-based cellulose nanocrystals as Pickering emulsion stabilizer.

PubMed

Gong, Xiaoyu; Wang, Yixiang; Chen, Lingyun

2017-08-01

Cellulose nanocrystals are hydrophilic nanomaterials, which limits their applications as interfacial compounds. Herein, we propose using modified wood-based cellulose nanocrystals as Pickering emulsion stabilizer. Wood cellulose was consecutively oxidized and modified with phenyltrimethylammonium chloride to create hydrophobic domains comprised of phenyl groups. These modified oxidized cellulose nanocrystals (m-O-CNCs) were homogeneous/electrostatically stable in water and they can stabilize O/W Pickering emulsions. The dispersed phase volume fraction (DPVF) of the Pickering emulsion was 0.7 at around 1.5g/L, whereas the tween-20 control needed a 13-fold greater concentration to have a similar DPVR. In addition, these m-O-CNC stabilized Pickering emulsions also showed good mechanical and thermal stability against centrifugation and heat, as well as size controllability. In terms of stability, size controllability, surfactant-free status, these m-O-CNCs possess superior and enhanced emulsifying properties. Future research for these new interfacial materials have potential in applications, for personal care, cosmetic and pharmaceutic industries. Copyright © 2017 Elsevier Ltd. All rights reserved.

The enhancement of photoresponse of an ordered inorganic-organic hybrid architecture by increasing interfacial contacts.

PubMed

Zhang, Bin; Chen, Xudong; Ma, Shaohua; Chen, Yujie; Yang, Jin; Zhang, Mingqiu

2010-02-10

A modified ZnO quantum dot/polythiophene (ZnO/PTh) inorganic-organic hybrid architecture was fabricated by using ordered mesoporous silica (SBA-15) as the retaining template. First, a two-step strategy was developed to synthesize an ordered organic conducting polymer composite (PTh/SBA-15). Then, ZnO quantum dots were in situ formed on the pore walls of the ordered PTh/SBA-15 composite. Photoresponse of the inorganic-organic hybrid was studied with respect to its incident photon to collected electron conversion efficiency (IPCE) and morphology. The presence of SBA-15 proved to be critical for controlling the interfacial morphology and hence enlarging the interfacial area of the inorganic-organic heterojunction. The proposed approach may act as a key method to open up potential applications in photovoltaic devices.

Core Formation: an Experimental Study of Metallic Melt-Silicate Segregation

NASA Astrophysics Data System (ADS)

Herpfer, M. A.; Larimer, J. W.

1993-07-01

To a large extent, the question of how metallic cores form reduces to the problem of understanding the surface tension between metallic melts and silicates [1]. This problem was addressed by performing experiments to determine the surface tensions between metallic melts with variable S contents and the silicate phases (olivine and orthopyroxene) expected in planetary mantles. The experiments were conducted in a piston-cylinder apparatus at P = 1GPa and T = 1250-1450 degrees C. Textural and chemical equilibration was confirmed in several ways: theoretical estimates were checked by conducting a series of experiments at progressively longer times (up to 72 hrs) until phase composition and dihedral angle ceased to change and the distribution of measured "apparent" angles matched the standard cumulative frequency curve. The dihedral "wetting" angles (theta) were measured from high resolution photomicrgraphs using a 10X optical protractor; 100-400 measurements were made for most experiments. The dihedral angle is related to the ratio of interfacial energies: gamma(sub)ss/gamma(sub)sl = 2 cos(theta/2), where gamma(sub)ss and gamma(sub)sl are the interfacial energies between solid-solid and liquid-solid. Since data exist for the pertinent solid-solid energies, the liquid-solid interfacial energies can be computed from measured theta values. However, the important relations are best expressed in terms of theta values. The extent to which a melt is interconnected along grain boundaries, and hence able to flow and segregate depends on the value of theta and the fraction of melt present. When theta < 60 degrees, the liquid can be interconnected at all melt fractions but when theta > 60 degrees, the melt fraction must be at least 1 vol% and increses as theta increases. Actually there is a predicted effect, analogous to a hysteresis effect, where for a given theta value the amount of melt that needs to be added for interconnection is greater than the amount left when the melt disconnects (pinches off). In our experiments, where dense metallic melt drained away, the disconnect theta values match the theoretical predictions. The composition of the metallic melt in the experiments was varied from stoichiometric FeS to Fe/S ratios near the the eutectic and on to more Fe rich compositons. The theta values vary in a systematic manner; for example, for melts in contact with olivine at 1300 degrees C the theta values range from 67 degrees for FeS to 55 degrees at the eutectic and back toward higher values at higher Fe contents. Theoretical considerations indicate that eutectic compositions are expected to have the lowest theta values, just as observed. The theta values indicate that melts with eutectic composition can interconnect and segregate at 1-2 vol% melt fraction at 1300 degrees C. Some previous estimates of the melt fraction required for interconnection are much higher [2,3], but the inferences were drawn from experiments that were not designed to test for textural equilibrium, fraction of melt present, etc. The present experiments clearly show that metallic melts can readily segregate from solid silicates. Simple extrapolations to other phases, compositions and PT conditions provide a rather complete picture of how the "plumbing" worked in the mantles of planetary objects during the initial stages of core segregation. References: [1] Stevenson D. J. (1990) In Origin of the Earth, 231-249. [2] Taylor G. J. (1989) LPSC XX, 1109. [3] Walker D. and Agee C. B. Meteor. 23, 81-91.

Modeling NAPL dissolution from pendular rings in idealized porous media

NASA Astrophysics Data System (ADS)

Huang, Junqi; Christ, John A.; Goltz, Mark N.; Demond, Avery H.

2015-10-01

The dissolution rate of nonaqueous phase liquid (NAPL) often governs the remediation time frame at subsurface hazardous waste sites. Most formulations for estimating this rate are empirical and assume that the NAPL is the nonwetting fluid. However, field evidence suggests that some waste sites might be organic wet. Thus, formulations that assume the NAPL is nonwetting may be inappropriate for estimating the rates of NAPL dissolution. An exact solution to the Young-Laplace equation, assuming NAPL resides as pendular rings around the contact points of porous media idealized as spherical particles in a hexagonal close packing arrangement, is presented in this work to provide a theoretical prediction for NAPL-water interfacial area. This analytic expression for interfacial area is then coupled with an exact solution to the advection-diffusion equation in a capillary tube assuming Hagen-Poiseuille flow to provide a theoretical means of calculating the mass transfer rate coefficient for dissolution at the NAPL-water interface in an organic-wet system. A comparison of the predictions from this theoretical model with predictions from empirically derived formulations from the literature for water-wet systems showed a consistent range of values for the mass transfer rate coefficient, despite the significant differences in model foundations (water wetting versus NAPL wetting, theoretical versus empirical). This finding implies that, under these system conditions, the important parameter is interfacial area, with a lesser role played by NAPL configuration.

Hydrogen bonds, interfacial stiffness moduli, and the interlaminar shear strength of carbon fiber-epoxy matrix composites

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

Cantrell, John H., E-mail: john.h.cantrell@nasa.gov

2015-03-15

The chemical treatment of carbon fibers used in carbon fiber-epoxy matrix composites greatly affects the fraction of hydrogen bonds (H-bonds) formed at the fiber-matrix interface. The H-bonds are major contributors to the fiber-matrix interfacial shear strength and play a direct role in the interlaminar shear strength (ILSS) of the composite. The H-bond contributions τ to the ILSS and magnitudes K{sub N} of the fiber-matrix interfacial stiffness moduli of seven carbon fiber-epoxy matrix composites, subjected to different fiber surface treatments, are calculated from the Morse potential for the interactions of hydroxyl and carboxyl acid groups formed on the carbon fiber surfacesmore » with epoxy receptors. The τ calculations range from 7.7 MPa to 18.4 MPa in magnitude, depending on fiber treatment. The K{sub N} calculations fall in the range (2.01 – 4.67) ×10{sup 17} N m{sup −3}. The average ratio K{sub N}/|τ| is calculated to be (2.59 ± 0.043) × 10{sup 10} m{sup −1} for the seven composites, suggesting a nearly linear connection between ILSS and H-bonding at the fiber-matrix interfaces. The linear connection indicates that τ may be assessable nondestructively from measurements of K{sub N} via a technique such as angle beam ultrasonic spectroscopy.« less

Effects of metallic nanoparticle doped flux on the interfacial intermetallic compounds between lead-free solder ball and copper substrate

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

Sujan, G.K., E-mail: sgkumer@gmail.com; Haseeb, A.S.M.A., E-mail: haseeb@um.edu.my; Afifi, A.B.M., E-mail: amalina@um.edu.my

2014-11-15

Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticlemore » doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus, doping of flux with appropriate metallic nanoparticles can be successfully used to control the morphology and growth of intermetallic compound layers at the solder/substrate interface which is expected to lead to better reliability of electronic devices. - Highlights: • A novel nanodoped flux method has been developed to control the growth of IMCs. • Ni doped flux improves the wettability, but Co, Mo and Ti deteriorate it. • Ni and Co doped flux gives planer IMC morphology through in-situ alloying effect. • 0.1 wt.% Ni and Co addition into flux gives the lowest interfacial IMC thickness. • Mo and Ti doped flux does not have any influence at the interfacial reaction.« less

Langmuir-Blodgett Films of Supported Polyester Dendrimers

PubMed Central

Redón, Rocío; Carreón-Castro, M. Pilar; Mendoza-Martínez, F. J.

2012-01-01

Amphiphiles with a dendritic structure are attractive materials as they combine the features of dendrimers with the self-assembling properties and interfacial behavior of water-air affinities. We have synthesized three generations of polyester dendrimers and studied their interfacial properties on the Langmuir films. The behavior obtained was, as a rule, the lowest generation dendrimers behaving like traditional amphiphiles and the larger molecules presenting complicated isotherms. The Langmuir films of these compounds have been characterized by their surface pressure versus molecular area (π/A) and Brewster angle microscopy (BAM) observations. PMID:24052855

Enhancing the magnetic anisotropy energy by tuning the contact areas of Ag and Ni at the Ag/Ni interface.

PubMed

Chow, Yu-Ting; Jiang, Bin-Han; Chang, Cheng-Hsun-Tony; Tsay, Jyh-Shen

2018-01-17

Modifying the interfacial conditions of magnetic layers by capping with overlayers can efficiently enhance the magnetic functionality of a material. However, the mechanisms responsible for this are closely related to the crystalline structure, compositional combinations, and interfacial quality, and are generally complex. In this contribution, we explored the use of Ag ultrathin overlayers on annealed . A method for preparing magnetic layers with different levels of enhanced magnetic anisotropy energy was developed. The method essentially involves simply modifying the contact area of the metallic/magnetic interface. A rougher interface results in a larger contact area between the Ag and Ni layers, resulting in an increase in magnetic anisotropy energy. Moreover, post-annealing treatments led to the segregation of Ni atoms, thus making the enhancement in the coercive force even more efficient. A model permits an understanding of the contact area and a strategy for enhancing the magnetic anisotropy energy and the coercive force was developed. Our approaches and the developed model promise to be helpful in terms of developing potential applications of ultrathin magnetic layers in the area of spintronics.

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.

Development of Conductivity Sensors for Multi-Phase Flow Local Measurements at the Polytechnic University of Valencia (UPV) and University Jaume I of Castellon (UJI).

PubMed

Muñoz-Cobo, José Luis; Chiva, Sergio; Méndez, Santos; Monrós, Guillem; Escrivá, Alberto; Cuadros, José Luis

2017-05-10

This paper describes all the procedures and methods currently used at UPV (Universitat Politécnica de Valencia) and UJI (University Jaume I) for the development and use of sensors for multi-phase flow analysis in vertical pipes. This paper also describes the methods that we use to obtain the values of the two-phase flow magnitudes from the sensor signals and the validation and cross-verification methods developed to check the consistency of the results obtained for these magnitudes with the sensors. First, we provide information about the procedures used to build the multi-sensor conductivity probes and some of the tests performed with different materials to avoid sensor degradation issues. In addition, we provide information about the characteristics of the electric circuits that feed the sensors. Then the data acquisition of the conductivity probe, the signal conditioning and the data processing including the device that have been designed to automatize all the measurement process of moving the sensors inside the channels by means of stepper electric motors controlled by computer are shown in operation. Then, we explain the methods used for bubble identification and categorization. Finally, we describe the methodology used to obtain the two-phase flow information from the sensor signals. This includes the following items: void fraction, gas velocity, Sauter mean diameter and interfacial area concentration. The last part of this paper is devoted to the conductance probes developed for the annular flow analysis, which includes the analysis of the interfacial waves produced in annular flow and that requires a different type of sensor.

Studying Gastric Lipase Adsorption Onto Phospholipid Monolayers by Surface Tensiometry, Ellipsometry, and Atomic Force Microscopy.

PubMed

Bénarouche, A; Sams, L; Bourlieu, C; Vié, V; Point, V; Cavalier, J F; Carrière, F

2017-01-01

The access to kinetic parameters of lipolytic enzyme adsorption onto lipids is essential for a better understanding of the overall catalytic process carried out by these interfacial enzymes. Gastric lipase, for instance, shows an apparent optimum activity on triglycerides (TAG) at acidic pH, which is controlled by its pH-dependent adsorption at lipid-water interfaces. Since gastric lipase acts on TAG droplets covered by phospholipids, but does not hydrolyze these lipids, phospholipid monolayers spread at the air-water interfaces can be used as biomimetic interfaces to study lipase adsorption and penetration through the phospholipid layer, independently from the catalytic activity. The adsorption of recombinant dog gastric lipase (rDGL) onto 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC) monolayers can be monitored by surface tensiometry at various enzyme concentrations, pHs, and surface pressures (Π). These experimental data and the use of Langmuir adsorption isotherm and Verger-de Haas' lipase kinetics models further allow estimating various parameters including the adsorption equilibrium constant (K Ads ), the interfacial concentration [Formula: see text] , the molar fraction [Formula: see text] (Φ E*(%) , mol%), and the molecular area [Formula: see text] of rDGL adsorbed onto the DLPC monolayer under various conditions. Additional insight into rDGL adsorption/insertion on phospholipid monolayers can be obtained by combining ellipsometry, Langmuir-Blodgett film transfer, and atomic force microscopy. When using multicomponent phospholipid monolayers with phase separation, these techniques allow to visualizing how rDGL preferentially partitions toward liquid expanded phase and at phase boundaries, gets adsorbed at various levels of insertion and impacts on the lateral organization of lipids. © 2017 Elsevier Inc. All rights reserved.

Development of Conductivity Sensors for Multi-Phase Flow Local Measurements at the Polytechnic University of Valencia (UPV) and University Jaume I of Castellon (UJI)

PubMed Central

Muñoz-Cobo, José Luis; Chiva, Sergio; Méndez, Santos; Monrós, Guillem; Escrivá, Alberto; Cuadros, José Luis

2017-01-01

This paper describes all the procedures and methods currently used at UPV (Universitat Politécnica de Valencia) and UJI (University Jaume I) for the development and use of sensors for multi-phase flow analysis in vertical pipes. This paper also describes the methods that we use to obtain the values of the two-phase flow magnitudes from the sensor signals and the validation and cross-verification methods developed to check the consistency of the results obtained for these magnitudes with the sensors. First, we provide information about the procedures used to build the multi-sensor conductivity probes and some of the tests performed with different materials to avoid sensor degradation issues. In addition, we provide information about the characteristics of the electric circuits that feed the sensors. Then the data acquisition of the conductivity probe, the signal conditioning and the data processing including the device that have been designed to automatize all the measurement process of moving the sensors inside the channels by means of stepper electric motors controlled by computer are shown in operation. Then, we explain the methods used for bubble identification and categorization. Finally, we describe the methodology used to obtain the two-phase flow information from the sensor signals. This includes the following items: void fraction, gas velocity, Sauter mean diameter and interfacial area concentration. The last part of this paper is devoted to the conductance probes developed for the annular flow analysis, which includes the analysis of the interfacial waves produced in annular flow and that requires a different type of sensor. PMID:28489035

Interfacial molecular interactions based on the conformation recognition between the insoluble antitumor drug AD-1 and DSPC.

PubMed

Yin, Tian; Cao, Xiuxiu; Liu, Xiaolin; Wang, Jian; Shi, Caihong; Su, Jia; Zhang, Yu; Gou, Jingxin; He, Haibing; Guo, Haiyan; Tang, Xing; Zhao, Yuqing

2016-10-01

In this study, molecular interactions between the anti-cancer agent 20(R)-25-methoxyl-dammarane-3β, 12β, 20-triol (AD-1) and phospholipid 1,2-Distearoyl-sn-glycero-3-phosphocholine (DSPC) were investigated using the Langmuir film balance technique. The characteristics of binary Langmuir monolayers consisting of DSPC and AD-1 were conducted on the basis of the surface pressure-area per molecule (π-A) isotherms. It was found that the drug was able to become efficiently inserted into preformed DSPC monolayers, indicating a preferential interaction between AD-1 and DSPC. For the examined lateral pressure at 20mN/m, the largest negative values of ΔGex were found for the AD-1/DSPC monolayer, which should be the most stable. Based on the calculated values of ΔGex, we found that the AD-1/DSPC systems exhibited the best mixed characteristics when the molar fraction of the AD-1 was 0.8; at that relative concentration, the AD-1 molecules can mix better and interact with the phospholipid molecules. In addition, the drug-DSPC binary supramolecular structure was also deposited on the mica plates as shown by atomic force microscopy (AFM). Finally, molecular docking calculations explained satisfactorily that, based on the conformations interactions (conformation recognition), even at an AD-1/DSPC molar ratio as high as 8:2, the interfacial stabilization of the AD-1/DSPC system was fairly strong due to hydrophobic interactions. A higher loading capacity of DSPC might be possible, as it is associated with a more flexible geometrical environment, which allows these supramolecular structures to accept larger increases in drug loading upon steric binding. Copyright © 2016 Elsevier B.V. All rights reserved.

Adaptive composites with embedded NiTiCu wires

NASA Astrophysics Data System (ADS)

Balta-Neumann, J. Antonio; Michaud, Veronique J.; Parlinska, Magdelena; Gotthardt, Rolf; Manson, Jan-Anders E.

2001-07-01

Adaptive composites have been produced by embedding prestrained shape memory alloy (SMA) wires into an epoxy matrix, reinforced with aramid fibers. These materials demonstrate attractive effects such as shape change or a shift in the vibration frequency upon activation. When heated above their transformation temperature, the wires' strain recovery is confined, and recovery stresses are generated. As a result, if the wires are placed along the neutral axis of a composite beam, a shift in resonance vibration frequency can be observed. To optimize the design of such composites, the matrix - SMA wire interfacial shear strength has been analyzed with the pull out testing technique. It is shown that the nature of the wire surface influences the interfacial shear strength, and that satisfactory results are obtained for SMA wires with a thin oxide layer. Composite samples consisting of two different types of pre- strained NiTiCu wires embedded in either pure epoxy matrix or Kevlar-epoxy matrix were produced. The recovery force and vibration response of composites were measured in a clamped-clamped configuration, to assess the effect of wire type and volume fraction. The results are highly reproducible in all cases with a narrow hysteresis loop, which makes NiTiCu wires good candidates for adaptive composites. The recovery forces increase with the volume fraction of the embedded wires, are higher when the wires are embedded in a low CTE matrix and, at a given temperature, are higher when the wire transformation temperature is lower.

Load and Time Dependence of Interfacial Chemical Bond-Induced Friction at the Nanoscale.

PubMed

Tian, Kaiwen; Gosvami, Nitya N; Goldsby, David L; Liu, Yun; Szlufarska, Izabela; Carpick, Robert W

2017-02-17

Rate and state friction (RSF) laws are widely used empirical relationships that describe the macroscale frictional behavior of a broad range of materials, including rocks found in the seismogenic zone of Earth's crust. A fundamental aspect of the RSF laws is frictional "aging," where friction increases with the time of stationary contact due to asperity creep and/or interfacial strengthening. Recent atomic force microscope (AFM) experiments and simulations found that nanoscale silica contacts exhibit aging due to the progressive formation of interfacial chemical bonds. The role of normal load (and, thus, normal stress) on this interfacial chemical bond-induced (ICBI) friction is predicted to be significant but has not been examined experimentally. Here, we show using AFM that, for nanoscale ICBI friction of silica-silica interfaces, aging (the difference between the maximum static friction and the kinetic friction) increases approximately linearly with the product of the normal load and the log of the hold time. This behavior is attributed to the approximately linear dependence of the contact area on the load in the positive load regime before significant wear occurs, as inferred from sliding friction measurements. This implies that the average pressure, and thus the average bond formation rate, is load independent within the accessible load range. We also consider a more accurate nonlinear model for the contact area, from which we extract the activation volume and the average stress-free energy barrier to the aging process. Our work provides an approach for studying the load and time dependence of contact aging at the nanoscale and further establishes RSF laws for nanoscale asperity contacts.

Load and Time Dependence of Interfacial Chemical Bond-Induced Friction at the Nanoscale

NASA Astrophysics Data System (ADS)

Tian, Kaiwen; Gosvami, Nitya N.; Goldsby, David L.; Liu, Yun; Szlufarska, Izabela; Carpick, Robert W.

2017-02-01

Rate and state friction (RSF) laws are widely used empirical relationships that describe the macroscale frictional behavior of a broad range of materials, including rocks found in the seismogenic zone of Earth's crust. A fundamental aspect of the RSF laws is frictional "aging," where friction increases with the time of stationary contact due to asperity creep and/or interfacial strengthening. Recent atomic force microscope (AFM) experiments and simulations found that nanoscale silica contacts exhibit aging due to the progressive formation of interfacial chemical bonds. The role of normal load (and, thus, normal stress) on this interfacial chemical bond-induced (ICBI) friction is predicted to be significant but has not been examined experimentally. Here, we show using AFM that, for nanoscale ICBI friction of silica-silica interfaces, aging (the difference between the maximum static friction and the kinetic friction) increases approximately linearly with the product of the normal load and the log of the hold time. This behavior is attributed to the approximately linear dependence of the contact area on the load in the positive load regime before significant wear occurs, as inferred from sliding friction measurements. This implies that the average pressure, and thus the average bond formation rate, is load independent within the accessible load range. We also consider a more accurate nonlinear model for the contact area, from which we extract the activation volume and the average stress-free energy barrier to the aging process. Our work provides an approach for studying the load and time dependence of contact aging at the nanoscale and further establishes RSF laws for nanoscale asperity contacts.

Conjugate heat and mass transfer in the lattice Boltzmann equation method.

PubMed

Li, Like; Chen, Chen; Mei, Renwei; Klausner, James F

2014-04-01

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer in porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.

Conjugate heat and mass transfer in the lattice Boltzmann equation method

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

Li, LK; Chen, C; Mei, RW

2014-04-22

An interface treatment for conjugate heat and mass transfer in the lattice Boltzmann equation method is proposed based on our previously proposed second-order accurate Dirichlet and Neumann boundary schemes. The continuity of temperature (concentration) and its flux at the interface for heat (mass) transfer is intrinsically satisfied without iterative computations, and the interfacial temperature (concentration) and their fluxes are conveniently obtained from the microscopic distribution functions without finite-difference calculations. The present treatment takes into account the local geometry of the interface so that it can be directly applied to curved interface problems such as conjugate heat and mass transfer inmore » porous media. For straight interfaces or curved interfaces with no tangential gradient, the coupling between the interfacial fluxes along the discrete lattice velocity directions is eliminated and thus the proposed interface schemes can be greatly simplified. Several numerical tests are conducted to verify the applicability and accuracy of the proposed conjugate interface treatment, including (i) steady convection-diffusion in a channel containing two different fluids, (ii) unsteady convection-diffusion in the channel, (iii) steady heat conduction inside a circular domain with two different solid materials, and (iv) unsteady mass transfer from a spherical droplet in an extensional creeping flow. The accuracy and order of convergence of the simulated interior temperature (concentration) field, the interfacial temperature (concentration), and heat (mass) flux are examined in detail and compared with those obtained from the "half-lattice division" treatment in the literature. The present analysis and numerical results show that the half-lattice division scheme is second-order accurate only when the interface is fixed at the center of the lattice links, while the present treatment preserves second-order accuracy for arbitrary link fractions. For curved interfaces, the present treatment yields second-order accurate interior and interfacial temperatures (concentrations) and first-order accurate interfacial heat (mass) flux. An increase of order of convergence by one degree is obtained for each of these three quantities compared with the half-lattice division scheme. The surface-averaged Sherwood numbers computed in test (iv) agree well with published results.« 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.

Combining total internal reflection sum frequency spectroscopy spectral imaging and confocal fluorescence microscopy.

PubMed

Allgeyer, Edward S; Sterling, Sarah M; Gunewardene, Mudalige S; Hess, Samuel T; Neivandt, David J; Mason, Michael D

2015-01-27

Understanding surface and interfacial lateral organization in material and biological systems is critical in nearly every field of science. The continued development of tools and techniques viable for elucidation of interfacial and surface information is therefore necessary to address new questions and further current investigations. Sum frequency spectroscopy (SFS) is a label-free, nonlinear optical technique with inherent surface specificity that can yield critical organizational information on interfacial species. Unfortunately, SFS provides no spatial information on a surface; small scale heterogeneities that may exist are averaged over the large areas typically probed. Over the past decade, this has begun to be addressed with the advent of SFS microscopy. Here we detail the construction and function of a total internal reflection (TIR) SFS spectral and confocal fluorescence imaging microscope directly amenable to surface investigations. This instrument combines, for the first time, sample scanning TIR-SFS imaging with confocal fluorescence microscopy.

Topology-generating interfacial pattern formation during liquid metal dealloying

DOE PAGES

Geslin, Pierre -Antoine; McCue, Ian; Gaskey, Bernard; ...

2015-11-19

Liquid metal dealloying has emerged as a novel technique to produce topologically complex nanoporous and nanocomposite structures with ultra-high interfacial area and other unique properties relevant for diverse material applications. This process is empirically known to require the selective dissolution of one element of a multicomponent solid alloy into a liquid metal to obtain desirable structures. However, how structures form is not known. Here we demonstrate, using mesoscale phase-field modelling and experiments, that nano/microstructural pattern formation during dealloying results from the interplay of (i) interfacial spinodal decomposition, forming compositional domain structures enriched in the immiscible element, and (ii) diffusion-coupled growthmore » of the enriched solid phase and the liquid phase into the alloy. We highlight how those two basic mechanisms interact to yield a rich variety of topologically disconnected and connected structures. Furthermore, we deduce scaling laws governing microstructural length scales and dealloying kinetics.« less

Topology-generating interfacial pattern formation during liquid metal dealloying.

PubMed

Geslin, Pierre-Antoine; McCue, Ian; Gaskey, Bernard; Erlebacher, Jonah; Karma, Alain

2015-11-19

Liquid metal dealloying has emerged as a novel technique to produce topologically complex nanoporous and nanocomposite structures with ultra-high interfacial area and other unique properties relevant for diverse material applications. This process is empirically known to require the selective dissolution of one element of a multicomponent solid alloy into a liquid metal to obtain desirable structures. However, how structures form is not known. Here we demonstrate, using mesoscale phase-field modelling and experiments, that nano/microstructural pattern formation during dealloying results from the interplay of (i) interfacial spinodal decomposition, forming compositional domain structures enriched in the immiscible element, and (ii) diffusion-coupled growth of the enriched solid phase and the liquid phase into the alloy. We highlight how those two basic mechanisms interact to yield a rich variety of topologically disconnected and connected structures. Moreover, we deduce scaling laws governing microstructural length scales and dealloying kinetics.

Nb and Ta layer doping effects on the interfacial energetics and electronic properties of LaAlO3/SrTiO3 heterostructure: first-principles analysis.

PubMed

Nazir, Safdar; Behtash, Maziar; Cheng, Jianli; Luo, Jian; Yang, Kesong

2016-01-28

The two-dimensional electron gas (2DEG) formed at the n-type (LaO)(+1)/(TiO2)(0) interface in the polar/nonpolar LaAlO3/SrTiO3 (LAO/STO) heterostructure (HS) has emerged as a prominent research area because of its great potential for nanoelectronic applications. Due to its practical implementation in devices, desired physical properties such as high charge carrier density and mobility are vital. In this respect, 4d and 5d transition metal doping near the interfacial region is expected to tailor electronic properties of the LAO/STO HS system effectively. Herein, we studied Nb and Ta-doping effects on the energetics, electronic structure, interfacial charge carrier density, magnetic moment, and the charge confinements of the 2DEG at the n-type (LaO)(+1)/(TiO2)(0) interface of LAO/STO HS using first-principles density functional theory calculations. We found that the substitutional doping of Nb(Ta) at Ti [Nb(Ta)@Ti] and Al [Nb(Ta)@Al] sites is energetically more favorable than that at La [Nb(Ta)@La] and Sr [Nb(Ta)@Sr] sites, and under appropriate thermodynamic conditions, the changes in the interfacial energy of HS systems upon Nb(Ta)@Ti and Nb(Ta)@Al doping are negative, implying that the formation of these structures is energetically favored. Our calculations also showed that Nb(Ta)@Ti and Nb(Ta)@Al doping significantly improve the interfacial charge carrier density with respect to that of the undoped system, which is because the Nb(Ta) dopant introduces excess free electrons into the system, and these free electrons reside mainly on the Nb(Ta) ions and interfacial Ti ions. Hence, along with the Ti 3d orbitals, the Nb 4d and Ta 5d orbitals also contribute to the interfacial metallic states; accordingly, the magnetic moments on the interfacial Ti ions increase significantly. As expected, the Nb@Al and Ta@Al doped LAO/STO HS systems show higher interfacial charge carrier density than the undoped and other doped systems. In contrast, Nb@Ti and Ta@Ti doped systems may show higher charge carrier mobility because of the lower electron effective mass.

The impact of carbon sp{sup 2} fraction of reduced graphene oxide on the performance of reduced graphene oxide contacted organic transistors

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

Kang, Narae; Department of Physics, University of Central Florida, 12424 Research Parkway, Suite 400, Orlando, Florida 32826; Khondaker, Saiful I., E-mail: saiful@ucf.edu

2014-12-01

One of the major bottlenecks in fabricating high performance organic field effect transistors (OFETs) is a large interfacial contact barrier between metal electrodes and organic semiconductors (OSCs) which makes the charge injection inefficient. Recently, reduced graphene oxide (RGO) has been suggested as an alternative electrode material for OFETs. RGO has tunable electronic properties and its conductivity can be varied by several orders of magnitude by varying the carbon sp{sup 2} fraction. However, whether the sp{sup 2} fraction of RGO in the electrode affects the performance of the fabricated OFETs is yet to be investigated. In this study, we demonstrate thatmore » the performance of OFETs with pentacene as OSC and RGO as electrode can be continuously improved by increasing the carbon sp{sup 2} fraction of RGO. When compared to control palladium electrodes, the mobility of the OFETs shows an improvement of ∼200% for 61% sp{sup 2} fraction RGO, which further improves to ∼500% for 80% RGO electrode. Similar improvements were also observed in current on-off ratio, on-current, and transconductance. Our study suggests that, in addition to π-π interaction at RGO/pentacene interface, the tunable electronic properties of RGO electrode have a significant role in OFETs performance.« less

The Mineral–Collagen Interface in Bone

PubMed Central

2015-01-01

The interface between collagen and the mineral reinforcement phase, carbonated hydroxyapatite (cAp), is essential for bone’s remarkable functionality as a biological composite material. The very small dimensions of the cAp phase and the disparate natures of the reinforcement and matrix are essential to the material’s performance but also complicate study of this interface. This article summarizes what is known about the cAp-collagen interface in bone and begins with descriptions of the matrix and reinforcement roles in composites, of the phases bounding the interface, of growth of cAp growing within the collagen matrix, and of the effect of intra- and extrafibrilar mineral on determinations of interfacial properties. Different observed interfacial interactions with cAp (collagen, water, non-collagenous proteins) are reviewed; experimental results on interface interactions during loading are reported as are their influence on macroscopic mechanical properties; conclusions of numerical modeling of interfacial interactions are also presented. The data suggest interfacial interlocking (bending of collagen molecules around cAp nanoplatelets) and water-mediated bonding between collagen and cAp are essential to load transfer. The review concludes with descriptions of areas where new research is needed to improve understanding of how the interface functions. PMID:25824581

The Evolution of Dendrite Morphology during Isothermal Coarsening

NASA Technical Reports Server (NTRS)

Alkemper, Jens; Mendoza, Roberto; Kammer, Dimitris; Voorhees, Peter W.

2003-01-01

Dendrite coarsening is a common phenomenon in casting processes. From the time dendrites are formed until the inter-dendritic liquid is completely solidified dendrites are changing shape driven by variations in interfacial curvature along the dendrite and resulting in a reduction of total interfacial area. During this process the typical length-scale of the dendrite can change by orders of magnitude and the final microstructure is in large part determined by the coarsening parameters. Dendrite coarsening is thus crucial in setting the materials parameters of ingots and of great commercial interest. This coarsening process is being studied in the Pb-Sn system with Sn-dendrites undergoing isothermal coarsening in a Pb-Sn liquid. Results are presented for samples of approximately 60% dendritic phase, which have been coarsened for different lengths of times. Presented are three-dimensional microstructures obtained by serial-sectioning and an analysis of these microstructures with regard to interface orientation and interfacial curvatures. These graphs reflect the evolution of not only the microstructure itself, but also of the underlying driving forces of the coarsening process. As a visualization of the link between the microstructure and the driving forces a three-dimensional microstructure with the interfaces colored according to the local interfacial mean curvature is shown.

Smooth interface effects on the confinement properties of GaSb/Al xGa 1- xSb quantum wells

NASA Astrophysics Data System (ADS)

Adib, Artur B.; de Sousa, Jeanlex S.; Farias, Gil A.; Freire, Valder N.

2000-10-01

A theoretical investigation on the confinement properties of GaSb/Al xGa 1- xSb single quantum wells (QWs) with smooth interfaces is performed. Error function ( erf)-like interfacial aluminum molar fraction variations in the QWs, from which it is possible to obtain the carriers effective masses and confinement potential profiles, are assumed. It is shown that the existence of smooth interfaces blue shifts considerably the confined carriers and exciton energies, an effect which is stronger in thin QWs.

Miscibility, chain packing, and hydration of 1-palmitoyl-2-oleoyl phosphatidylcholine and other lipids in surface phases.

PubMed

Smaby, J M; Brockman, H L

1985-11-01

The miscibility of 1-palmitoyl-2-oleoyl phosphatidylcholine with triolein, 1,2-diolein, 1,3-diolein, 1(3)-monoolein, oleyl alcohol, methyl oleate, oleic acid, and oleyl cyanide (18:1 lipids) was studied at the argon-water interface. The isothermal phase diagrams for the mixtures at 24 degrees were characterized by two compositional regions. At the limit of miscibility with lower mol fractions of 18:1 lipid, the surface pressure was composition-independent, but above a mixture-specific stoichiometry, surface pressure at the limit of miscibility was composition-dependent. From the two-dimensional phase rule, it was determined that at low mol fractions of 18:1 lipids, the surface consisted of phospholipid and a preferred packing array or complex of phospholipid and 18:1 lipid, whereas, above the stoichiometry of the complex, the surface phase consisted of complex and excess 18:1 lipids. In both regions of the phase diagram, mixing along the phase boundary was apparently ideal allowing application of an equation of state described earlier (J. M. Smaby and H. L. Brockman, 1984, Biochemistry, 23:3312-3316). From such analysis, apparent partial molecular areas and hydrations for phospholipid, complex, and 18:1 lipid were obtained. Comparison of these calculated parameters for the complexed and uncomplexed states shows that the aliphatic moieties behave independently of polar head group. The transition of each 18:1 chain to the complexed state involves the loss of about one interfacial water molecule and its corresponding area. For 18:1 lipids with more than one chain another two water molecules per additional chain are present in both states but contribute little to molecular area. In contrast to 18:1 lipids, the phospholipid area and hydration change little upon complexation. The uniformity of chain packing and hydration behavior among 18:1 lipid species contrasts with complex stoichiometries that vary from 0.04 to 0.65. This suggests that the stoichiometry of the preferred packing array is determined by interactions involving the more polar moieties of the 18:1 lipids and the phospholipid.

Dielectric relaxation behavior of colloidal suspensions of palladium nanoparticle chains dispersed in PVP/EG solution.

PubMed

Chen, Zhen; Zhao, Kong-Shuang; Guo, Lin; Feng, Cai-Hong

2007-04-28

Dielectric measurements were carried out on colloidal suspensions of palladium nanoparticle chains dispersed in poly(vinyl pyrrolidone)/ethylene glycol (PVP/EG) solution with different particle volume fractions, and dielectric relaxation with relaxation time distribution and small relaxation amplitude was observed in the frequency range from 10(5) to 10(7) Hz. By means of the method based on logarithmic derivative of the dielectric constant and a numerical Kramers-Kronig transform method, two dielectric relaxations were confirmed and dielectric parameters were determined from the dielectric spectra. The dielectric parameters showed a strong dependence on the volume fraction of palladium nanoparticle chain. Through analyzing limiting conductivity at low frequency, the authors found the conductance percolation phenomenon of the suspensions, and the threshold volume fraction is about 0.18. It was concluded from analyzing the dielectric parameters that the high frequency dielectric relaxation results from interfacial polarization and the low frequency dielectric relaxation is a consequence of counterion polarization. They also found that the dispersion state of the palladium nanoparticle chain in PVP/EG solution is dependent on the particle volume fraction, and this may shed some light on a better application of this kind of materials.

Specific interface area in a thin layer system of two immiscible liquids with vapour generation at the contact interface

NASA Astrophysics Data System (ADS)

Pimenova, Anastasiya V.; Gazdaliev, Ilias M.; Goldobin, Denis S.

2017-06-01

For well-stirred multiphase fluid systems the mean interface area per unit volume, or “specific interface area” SV, is a significant characteristic of the system state. In particular, it is important for the dynamics of systems of immiscible liquids experiencing interfacial boiling. We estimate the value of parameter SV as a function of the heat influx {\\dot{Q}}V to the system or the average system overheat <Θ> above the interfacial boiling point. The derived results can be reformulated for the case of an endothermic chemical reaction between two liquid reagents with the gaseous form of one of the reaction products. The final results are restricted to the case of thin layers, where the potential gravitational energy of bubbles leaving the contact interface is small compared to their surface tension energy.

Multiphase Modeling of Bottom-Stirred Ladle for Prediction of Slag-Steel Interface and Estimation of Desulfurization Behavior

NASA Astrophysics Data System (ADS)

Singh, Umesh; Anapagaddi, Ravikiran; Mangal, Saurabh; Padmanabhan, Kuppuswamy Anantha; Singh, Amarendra Kumar

2016-06-01

Ladle furnace is a key unit in which various phenomena such as deoxidation, desulfurization, inclusion removal, and homogenization of alloy composition and temperature take place. Therefore, the processes present in the ladle play an important role in determining the quality of steel. Prediction of flow behavior of the phases present in the ladle furnace is needed to understand the phenomena that take place there and accordingly control the process parameters. In this study, first a mathematical model is developed to analyze the transient three-phase flow present. Argon gas bottom-stirred ladle with off-centered plugs has been used in this study. Volume of fluid method is used in a computational fluid dynamics (CFD) model to capture the behavior of slag, steel, and argon interfaces. The results are validated with data from literature. Eye opening and slag-steel interfacial area are calculated for different operating conditions and are compared with experimental and simulated results cited in literature. Desulfurization rate is then predicted using chemical kinetic equations, interfacial area, calculated from CFD model, and thermodynamic data, obtained from the Thermo-Calc software. Using the model, it is demonstrated that the double plug purging is more suitable than the single plug purging for the same level of total flow. The advantage is more distinct at higher flow rates as it leads higher interfacial area, needed for desulfurization and smaller eye openings (lower oxygen/nitrogen pickup).

Interface structure in nanoscale multilayers near continuous-to-discontinuous regime

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

Pradhan, P. C.; Majhi, A.; Nayak, M., E-mail: mnayak@rrcat.gov.in

2016-07-28

Interfacial atomic diffusion, reaction, and formation of microstructure in nanoscale level are investigated in W/B{sub 4}C multilayer (ML) system as functions of thickness in ultrathin limit. Hard x-ray reflectivity (XRR) and x-ray diffuse scattering in conjunction with x-ray absorption near edge spectroscopy (XANES) in soft x-ray and hard x-ray regimes and depth profiling x-ray photoelectron spectroscopy (XPS) have been used to precisely evaluate detailed interfacial structure by systematically varying the individual layer thickness from continuous-to-discontinuous regime. It is observed that the interfacial morphology undergoes an unexpected significant modification as the layer thickness varies from continuous-to-discontinuous regime. The interfacial atomic diffusionmore » increases, the physical density of W layer decreases and that of B{sub 4}C layer increases, and further more interestingly the in-plane correlation length decreases substantially as the layer thickness varies from continuous-to-discontinuous regime. This is corroborated using combined XRR and x-ray diffused scattering analysis. XANES and XPS results show formation of more and more tungsten compounds at the interfaces as the layer thickness decreases below the percolation threshold due to increase in the contact area between the elements. The formation of compound enhances to minimize certain degree of disorder at the interfaces in the discontinuous region that enables to maintain the periodic structure in ML. The degree of interfacial atomic diffusion, interlayer interaction, and microstructure is correlated as a function of layer thickness during early stage of film growth.« less

pH-Induced interfacial properties of Chaplin E from Streptomyces coelicolor.

PubMed

Dokouhaki, Mina; Hung, Andrew; Prime, Emma L; Qiao, Greg G; Day, Li; Gras, Sally L

2017-12-01

Chaplin E, or Chp E, is a surface active peptide secreted by Streptomyces coelicolor that adopts different structures depending on solution pH but the effect of these structures on the interfacial properties of Chp E is not known. In experiments paired with simulations, Chp E was found to display pH-dependent interfacial assembly and surface activity. At pH 3.0, Chp E formed an ordered non-amyloidal interfacial film with high surface activity; while at pH 10.0, Chp E self-assembled into a heterogeneous film containing randomly arranged fibrils at the interface that was less surface active compared to the film formed at pH 3.0. In simulations at pH 10.0, Chp E molecules showed a higher propensity for dimerization within the solution phase, lower rate of adsorption to the interface and tighter inter-molecular associations at the interface, consistent with the lower surface activity and smaller interfacial area coverage per molecule measured at this pH compared to at pH 3.0. A model is presented for the role of Chp E in the developmental differentiation of Streptomyces coelicolor, where Chp E contributes to changes in surface tension at low pH and the formation of fibrils on the surface of aerial hyphae at high pH. Our data also suggest Chp E could be a promising surface active agent with functional activity that can be controlled by pH. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of drop volume and surface statistics on the superhydrophobicity of randomly rough substrates

NASA Astrophysics Data System (ADS)

Afferrante, L.; Carbone, G.

2018-01-01

In this paper, a simple theoretical approach is developed with the aim of evaluating shape, interfacial pressure, apparent contact angle and contact area of liquid drops gently deposed on randomly rough surfaces. This method can be useful to characterize the superhydrophobic properties of rough substrates, and to investigate the contact behavior of impacting drops. We assume that (i) the size of the apparent liquid-solid contact area is much larger than the micromorphology of the substrate, and (ii) a composite interface is always formed at the microscale. Results show apparent contact angle and liquid-solid area fraction are slightly influenced by the drop volume only at relatively high values of the root mean square roughness h rms, whereas the effect of volume is practically negligible at small h rms. The main statistical quantity affecting the superhydrophobic properties is found to be the Wenzel roughness parameter r W, which depends on the average slope of the surface heights. Moreover, transition from the Cassie-Baxter state to the Wenzel one is observed when r W reduces below a certain critical value, and theoretical predictions are found to be in good agreement with experimental data. Finally, the present method can be conveniently exploited to evaluate the occurrence of pinning phenomena in the case of impacting drops, as the Wenzel critical pressure for liquid penetration gives an estimation of the maximum impact pressure tolerated by the surface without pinning occurring.

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.

Simulation of the Growth of Austenite from As-Quenched Martensite in Medium Mn Steels

NASA Astrophysics Data System (ADS)

Huyan, Fei; Yan, Jia-Yi; Höglund, Lars; Ågren, John; Borgenstam, Annika

2018-04-01

As part of an ongoing development of third-generation advanced high-strength steels with acceptable cost, austenite reversion treatment of medium Mn steels becomes attractive because it can give rise to a microstructure of fine mixture of ferrite and austenite, leading to both high strength and large elongation. The growth of austenite during intercritical annealing is crucial for the final properties, primarily because it determines the fraction, composition, and phase stability of austenite. In the present work, the growth of austenite from as-quenched lath martensite in medium Mn steels has been simulated using the DICTRA software package. Cementite is added into the simulations based on experimental observations. Two types of systems (cells) are used, representing, respectively, (1) austenite and cementite forming apart from each other, and (2) austenite forming on the cementite/martensite interface. An interfacial dissipation energy has also been added to take into account a finite interface mobility. The simulations using the first type of setup with an addition of interfacial dissipation energy are able to reproduce the observed austenite growth in medium Mn steels reasonably well.

Effect of the interfacial tension and ionic strength on the thermodynamic barrier associated to the benzocaine insertion into a cell membrane.

PubMed

López Cascales, J J; Oliveira Costa, S D

2013-02-01

The insertion of local anaesthetics into a cell membrane is a key aspect for explaining their activity at a molecular level. It has been described how the potency and response time of local anaesthetics is improved (for clinical applications) when they are dissolved in a solution of sodium bicarbonate. With the aim of gaining insight into the physico-chemical principles that govern the action mechanism of these drugs at a molecular level, simulations of benzocaine in binary lipid bilayers formed by DPPC/DPPS were carried out for different ionic strengths of the aqueous solution. From these molecular dynamic simulations, we observed how the thermodynamic barrier associated with benzocaine insertion into the lipid bilayers diminished exponentially as the fraction of DPPS in the bilayer increased, especially when the ionic strength of the aqueous solution increased. In line with these results, we also observed how this thermodynamic barrier diminished exponentially with the phospholipid/water interfacial tension. Copyright © 2012 Elsevier B.V. All rights reserved.

Interfacial structure, bonding and composition of InAs and GaSb thin films determined using coherent Bragg rod analysis.

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

Cionca, C.; Walko, D. A.; Yacoby, Y.

2007-01-01

We have used Bragg rod x-ray diffraction combined with a direct method of phase retrieval to extract atomic resolution electron-density maps of a complementary series of heteroepitaxial III-V semiconductor samples. From the three-dimensional electron-density maps we derive the monolayer spacings, the chemical compositions, and the characteristics of the bonding for all atomic planes in the film and across the film-substrate interface. InAs films grown on GaSb(001) under two different As conditions (using dimer or tetramer forms) both showed conformal roughness and mixed GaAs/InSb interfacial bonding character. The As tetramer conditions favored InSb bonding at the interface while, in the casemore » of the dimer, the percentages corresponding to GaAs and InSb bonding were equal within the experimental error. The GaSb film grown on InAs(001) displayed significant In and As interdiffusion and had a relatively large fraction of GaAs-like bonds at the interface.« less

Electrochemical Hydrogen Evolution at Ordered Mo 7 Ni 7

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

Csernica, Peter M.; McKone, James R.; Mulzer, Catherine R.

2017-04-11

Ni–Mo alloys containing up to ~15 mol % Mo are excellent non-noble electrocatalysts for the hydrogen evolution reaction (HER) in alkaline aqueous electrolytes. To date, studies have not addressed the details of HER activity of ordered Ni–Mo intermetallic compounds, which can contain a significantly larger fraction of Mo (up to 50 mol %) than can be accessed through high-temperature alloying. Here, we present a straightforward and facile synthesis of three phase-pure electrocatalyst powders using a precipitation–reduction approach: ordered Mo7Ni7, disordered Ni0.92Mo0.08, and pure Ni. The Ni0.92Mo0.08 alloy exhibited a nearly 10-fold higher mass-specific HER activity than either pure Ni ormore » Mo7Ni7, where much of the difference could be attributed to relative surface area. Therefore, we attempted to quantify and account for differences in surface areas using electron microscopy, impedance spectroscopy, and gas adsorption measurements. These data suggest that Ni–Mo alloys and intermetallic compounds exhibit substantial pseudocapacitance at potentials near the onset of hydrogen evolution, which can cause impedance spectroscopy to overestimate the interfacial capacitance, and thus the electrochemically active surface area, of these materials. From these observations, we postulate Mo redox activity as the chemical basis for the observed pseudocapacitance of Ni–Mo composites. Furthermore, using gas adsorption measurements, rather than capacitance, to estimate active surface area, we find that ordered Mo7Ni7 is more intrinsically active than the Ni0.92Mo0.08 alloy, implying that Mo7Ni7 intermetallics with high surface area will also give higher mass-specific activities than alloys with comparable roughness.« less

INFLUENCE OF SURFACTANTS ON MICROBIAL DEGRADATION OF ORGANIC COMPOUNDS

EPA Science Inventory

Surfactants have the ability to increase aqueous concentrations of poorly soluble compounds and interfacial areas between immiscible fluids, thus potentially improving the accessibility of these substrates to microorganisms. However, both enhancements and inhibitions of biodegrad...

Hybrid multiphase CFD simulation for liquid-liquid interfacial area prediction in annular centrifugal contactors

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

Wardle, K.E.

2013-07-01

Liquid-liquid contacting equipment used in solvent extraction processes has the dual purpose of mixing and separating two immiscible fluids. Consequently, such devices inherently encompass a wide variety of multiphase flow regimes. A hybrid multiphase computational fluid dynamics (CFD) solver which combines the Eulerian multi-fluid method with VOF (volume of fluid) sharp interface capturing has been developed for application to annular centrifugal contactors. This solver has been extended to enable prediction of mean droplet size and liquid-liquid interfacial area through a single moment population balance method. Simulations of liquid-liquid mixing in a simplified geometry and a model annular centrifugal contactor aremore » reported with droplet breakup/coalescence models being calibrated versus available experimental data. Quantitative comparison is made for two different housing vane geometries and it is found that the predicted droplet size is significantly smaller for vane geometries which result in higher annular liquid holdup.« less

Particle size and interfacial effects on heat transfer characteristics of water and {alpha}-SiC nanofluids.

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

Timofeeva, E.; Smith, D. S.; Yu, W.

2010-01-01

The effect of average particle sizes on basic macroscopic properties and heat transfer performance of {alpha}-SiC/water nanofluids was investigated. The average particle sizes, calculated from the specific surface area of nanoparticles, were varied from 16 to 90 nm. Nanofluids with larger particles of the same material and volume concentration provide higher thermal conductivity and lower viscosity increases than those with smaller particles because of the smaller solid/liquid interfacial area of larger particles. It was also demonstrated that the viscosity of water-based nanofluids can be significantly decreased by pH of the suspension independently from the thermal conductivity. Heat transfer coefficients weremore » measured and compared to the performance of base fluids as well as to nanofluids reported in the literature. Criteria for evaluation of the heat transfer performance of nanofluids are discussed and optimum directions in nanofluid development are suggested.« less

Electrical power generation by mechanically modulating electrical double layers.

PubMed

Moon, Jong Kyun; Jeong, Jaeki; Lee, Dongyun; Pak, Hyuk Kyu

2013-01-01

Since Michael Faraday and Joseph Henry made their great discovery of electromagnetic induction, there have been continuous developments in electrical power generation. Most people today get electricity from thermal, hydroelectric, or nuclear power generation systems, which use this electromagnetic induction phenomenon. Here we propose a new method for electrical power generation, without using electromagnetic induction, by mechanically modulating the electrical double layers at the interfacial areas of a water bridge between two conducting plates. We find that when the height of the water bridge is mechanically modulated, the electrical double layer capacitors formed on the two interfacial areas are continuously charged and discharged at different phases from each other, thus generating an AC electric current across the plates. We use a resistor-capacitor circuit model to explain the results of this experiment. This observation could be useful for constructing a micro-fluidic power generation system in the near future.

Emulsifying and foaming properties of amaranth seed protein isolates.

PubMed

Fidantsi, A; Doxastakis, G

2001-07-01

The emulsifying and foaming properties of amaranth seed protein isolates prepared by wet extraction methods, such as isoelectric precipitation and dialysis, were investigated. The various isolates differ from each other in many ways. The isolate prepared by isoelectric precipitation mainly contains the globulin but not the albumin fraction and a considerable amount of polysaccharides, while the other isolate prepared by the dialysis method contains all the globulin and albumin fractions. The protein-polysaccharide complexes enhance emulsion stability due to steric repulsion effects. Measurements of the emulsion stability show that the studied protein isolates act as effective stabilizing agents. Foam expansion is dominated by the surface activity and availability of protein in the solution, while foam stability is determined by the properties of the interfacial layer. The results show that amaranth protein isolates act as an effective foaming agent. Both foaming properties intensified from the presence of protein-polysaccharide complexes.

Effect of urea and glycerol on the adsorption of ribonuclease A at the air-water interface.

PubMed

Hüsecken, Anne K; Evers, Florian; Czeslik, Claus; Tolan, Metin

2010-08-17

This study reports on the influence of nonionic cosolvents on the interfacial structure of ribonuclease A (RNase) adsorbed at the air-water interface. We applied X-ray reflectometry to obtain detailed volume fraction profiles of the adsorbed layers and to follow the effect of glycerol and urea on the adsorbate structure as a function of cosolvent concentration. Under all conditions studied, the adsorbed RNase layer maintains its compact shape, and the adsorbed RNase molecules adopt a flat-on orientation at the interface. Both kosmotropic glycerol and chaotropic urea exert profound effects on the adsorbate: The surface excess decreases linearly with glycerol content and is also reduced at low urea concentration. However, at high urea concentration, parts of the adsorbed layer are dehydrated and become exposed to air. The electron density and volume fraction profiles of the adsorbed protein provide clear evidence that these effects are ruled by different mechanisms.

Formulation and optimization of virgin coconut oil with Tween-80 incorporated in gellan gum hydrogel

NASA Astrophysics Data System (ADS)

Muktar, Muhammad Zulhelmi; Rose, Laili bt Che; Amin, Khairul Anuar Mat

2017-09-01

The demand for wound care products especially advance and active wound care product are huge. Honey and virgin coconut oil (VCO) are well-known as an ancient treatment to treat wound with its great properties such as antibacterial, anti-inflammatory and anti-viral. In this study, the potential of VCO incorporated in gellan gum (GG) hydrogel was examined. A surfactant, Tween-80 was introduced to reduce the interfacial tension between VCO and water. Ternary phase diagram was constructed to get the microemulsion of VCO. The compositions of VCO and Tween-80 at stable region were chosen and incorporated in GG solution. The swelling, water vapor transmission rates (WVTR) and gel fraction were significantly affected by the composition of VCO. Higher amount of VCO in GG hydrogel increased the tensile strength and gel fraction at a cost of decreased in swelling and WVTR values.

Viscosity of particle laden films

NASA Astrophysics Data System (ADS)

Timounay, Yousra; Rouyer, Florence

2017-06-01

We perform retraction experiments on soap films where large particles bridge the two interfaces. Local velocities are measured by PIV during the unstationnary regime. The velocity variation in time and space can be described by a continuous fluid model from which effective viscosity (shear and dilatational) of particulate films is measured. The 2D effective viscosity of particulate films η2D increases with particle surface fraction ϕ: at low ϕ, it tends to the interfacial dilatational viscosity of the liquid/air interfaces and it diverges at the critical particle surface fraction ϕc ≃ 0.84. Experimental data agree with classical viscosity laws of hard spheres suspensions adapted to the 2D geometry, assuming viscous dissipation resulting from the squeeze of the liquid/air interfaces between the particles. Finally, we show that the observed viscous dissipation in particulate films has to be considered to describe the edge velocity during a retraction experiment at large particle coverage.

Interfacial chemistry and the design of solid-phase nucleic acid hybridization assays using immobilized quantum dots as donors in fluorescence resonance energy transfer.

PubMed

Algar, W Russ; Krull, Ulrich J

2011-01-01

The use of quantum dots (QDs) as donors in fluorescence resonance energy transfer (FRET) offer several advantages for the development of multiplexed solid-phase QD-FRET nucleic acid hybridization assays. Designs for multiplexing have been demonstrated, but important challenges remain in the optimization of these systems. In this work, we identify several strategies based on the design of interfacial chemistry for improving sensitivity, obtaining lower limits of detection (LOD) and enabling the regeneration and reuse of solid-phase QD-FRET hybridization assays. FRET-sensitized emission from acceptor dyes associated with hybridization events at immobilized QD donors provides the analytical signal in these assays. The minimization of active sensing area reduces background from QD donor PL and allows the resolution of smaller amounts of acceptor emission, thus lowering the LOD. The association of multiple acceptor dyes with each hybridization event can enhance FRET efficiency, thereby improving sensitivity. Many previous studies have used interfacial protein layers to generate selectivity; however, transient destabilization of these layers is shown to prevent efficient regeneration. To this end, we report a protein-free interfacial chemistry and demonstrate the specific detection of as little as 2 pmol of target, as well as an improved capacity for regeneration.

Interfacial Chemistry and the Design of Solid-Phase Nucleic Acid Hybridization Assays Using Immobilized Quantum Dots as Donors in Fluorescence Resonance Energy Transfer

PubMed Central

Algar, W. Russ; Krull, Ulrich J.

2011-01-01

The use of quantum dots (QDs) as donors in fluorescence resonance energy transfer (FRET) offer several advantages for the development of multiplexed solid-phase QD-FRET nucleic acid hybridization assays. Designs for multiplexing have been demonstrated, but important challenges remain in the optimization of these systems. In this work, we identify several strategies based on the design of interfacial chemistry for improving sensitivity, obtaining lower limits of detection (LOD) and enabling the regeneration and reuse of solid-phase QD-FRET hybridization assays. FRET-sensitized emission from acceptor dyes associated with hybridization events at immobilized QD donors provides the analytical signal in these assays. The minimization of active sensing area reduces background from QD donor PL and allows the resolution of smaller amounts of acceptor emission, thus lowering the LOD. The association of multiple acceptor dyes with each hybridization event can enhance FRET efficiency, thereby improving sensitivity. Many previous studies have used interfacial protein layers to generate selectivity; however, transient destabilization of these layers is shown to prevent efficient regeneration. To this end, we report a protein-free interfacial chemistry and demonstrate the specific detection of as little as 2 pmol of target, as well as an improved capacity for regeneration. PMID:22163951

On the Hofmeister effect: fluctuations at the protein-water interface and the surface tension.

PubMed

Bogár, Ferenc; Bartha, Ferenc; Násztor, Zoltán; Fábián, László; Leitgeb, Balázs; Dér, András

2014-07-24

We performed molecular dynamics simulations on the tryptophane-cage miniprotein using a nonpolarizable force field, in order to model the effect of concentrated water solutions of neutral salts on protein conformation, which is a manifestation of Hofmeister effects. From the equilibrium values and the fluctuations of the solvent accessible surface area of the miniprotein, the salt-induced changes of the mean value of protein-water interfacial tension were determined. At 300 K, the chaotropic ClO4(-) and NO3(-) decreased the interfacial tension according to their position in the Hofmeister series (by approximately 5 and 2.7 mN/m, respectively), while the kosmotropic F(-) increased it (by 1 mN/m). These values were compared to those obtained from the Gibbs equation using the excess surface adsorption calculated from the probability distribution of the water molecules and ions around the miniprotein, and the two sets were found to be very close to each other. Our results present a direct evidence for the central role of interfacial tension and fluctuations at the protein-water interface in Hofmeister phenomena, and provide a computational method for the determination of the protein-water interfacial tension, establishing a link between the phenomenological and microscopic description of protein-water interfaces.

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

Interfacial Materials for Organic Solar Cells: Recent Advances and Perspectives

PubMed Central

Yin, Zhigang; Wei, Jiajun

2016-01-01

Organic solar cells (OSCs) have shown great promise as low‐cost photovoltaic devices for solar energy conversion over the past decade. Interfacial engineering provides a powerful strategy to enhance efficiency and stability of OSCs. With the rapid advances of interface layer materials and active layer materials, power conversion efficiencies (PCEs) of both single‐junction and tandem OSCs have exceeded a landmark value of 10%. This review summarizes the latest advances in interfacial layers for single‐junction and tandem OSCs. Electron or hole transporting materials, including metal oxides, polymers/small‐molecules, metals and metal salts/complexes, carbon‐based materials, organic‐inorganic hybrids/composites, and other emerging materials, are systemically presented as cathode and anode interface layers for high performance OSCs. Meanwhile, incorporating these electron‐transporting and hole‐transporting layer materials as building blocks, a variety of interconnecting layers for conventional or inverted tandem OSCs are comprehensively discussed, along with their functions to bridge the difference between adjacent subcells. By analyzing the structure–property relationships of various interfacial materials, the important design rules for such materials towards high efficiency and stable OSCs are highlighted. Finally, we present a brief summary as well as some perspectives to help researchers understand the current challenges and opportunities in this emerging area of research. PMID:27812480

Adsorption of PFOA at the Air-Water Interface during Transport in Unsaturated Porous Media.

PubMed

Lyu, Ying; Brusseau, Mark L; Chen, Wei; Yan, Ni; Fu, Xiaori; Lin, Xueyu

2018-06-26

Miscible-displacement experiments are conducted with perfluorooctanoic acid (PFOA) to determine the contribution of adsorption at the air-water interface to retention during transport in water-unsaturated porous media. Column experiments were conducted with two sands of different diameter at different PFOA input concentrations, water saturations, and pore-water velocities to evaluate the impact of system variables on retardation. The breakthrough curves for unsaturated conditions exhibited greater retardation than those obtained for saturated conditions, demonstrating the significant impact of air-water interfacial adsorption on PFOA retention. Retardation was greater for lower water saturations and smaller grain diameter, consistent with the impact of system conditions on the magnitude of air-water interfacial area in porous media. Retardation was greater for lower input concentrations of PFOA for a given water saturation, consistent with the nonlinear nature of surfactant fluid-fluid interfacial adsorption. Retardation factors predicted using independently determined parameter values compared very well to the measured values. The results showed that adsorption at the air-water interface is a significant source of retention for PFOA, contributing approximately 50-75% of total retention, for the test systems. The significant magnitude of air-water interfacial adsorption measured in this work has ramifications for accurate determination of PFAS migration potential in vadose zones.

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 behavior of confined mesogens at smectic-C*-water boundary.

PubMed

Chandran, Achu; Khanna, P K; Haranath, D; Biradar, Ashok M

2018-02-01

In this paper, we have investigated the behavior of mesogens at smectic-C*-water interface confined in a liquid crystal (LC) cell with interfacial geometry. Polarized optical microscopy was used to probe the appearance of various smectic-C* domain patterns at water interface owing to the reorientation of mesogens. The undulated stripe domains observed at the air interface of smectic-C* meniscus vanished as the water entered into the smectic layers and focal conical domain patterns appeared at smectic-C*-water boundary. A spatially variable electro-optical switching of LC molecules was also observed outside the electrode area of the interfacial cell. The electrode region at the interface, as well as on the water side, was damaged upon application of an electric field of magnitude more than 150 kV/m. The change in dielectric parameters of mesogens was extensively studied at interface after evaporating the water. These studies give fundamental insights into smectic-C*-water interface and also will be helpful in fabricating better LC devices for electro-optical and sensing applications.

Interfacial Constructing Flexible V2O5@Polypyrrole Core-Shell Nanowire Membrane with Superior Supercapacitive Performance.

PubMed

Wang, Jian-Gan; Liu, Huanyan; Liu, Hongzhen; Hua, Wei; Shao, Minhua

2018-06-06

Flexible membrane consisting of ultralong V 2 O 5 @conducting polypyrrole (V 2 O 5 @PPy) core-shell nanowires is prepared by a facile in situ interfacial synthesis approach. The V 2 O 5 is for the first time demonstrated to show versatile function of reactive template to initiate the uniform and conformal polymerization of PPy nanocoating without the need for extra oxidants. The freestanding PPy-encapsulated V 2 O 5 nanowire membrane is of great benefit in achieving strong electrochemical harvest by increasing electrical conductivity, shortening ion/electron transport distance, and enlarging electrode/electrolyte contact area. When evaluated as binder- and additive-free supercapacitor electrodes, the V 2 O 5 @PPy core-shell hybrid delivers a significantly enhanced specific capacitance of 334 F g -1 along with superior rate capability and improved cycling stability. The present work would provide a simple yet powerful interfacial strategy for elaborate constructing V 2 O 5 /conducting polymers toward various energy-storage technologies.

Water-Soluble Polymeric Interfacial Material for Planar Perovskite Solar Cells.

PubMed

Zheng, Lingling; Ma, Yingzhuang; Xiao, Lixin; Zhang, Fengyan; Wang, Yuanhao; Yang, Hongxing

2017-04-26

Interfacial materials play a critical role in photoelectric conversion properties as well as the anomalous hysteresis phenomenon of the perovskite solar cells (PSCs). In this article, a water-soluble polythiophene PTEBS was employed as a cathode interfacial material for PSCs. Efficient energy level aligning and improved film morphology were obtained due to an ultrathin coating of PTEBS. Better ohmic contact between the perovskite layer and the cathode also benefits the charge transport and extraction of the device. Moreover, less charge accumulation at the interface weakens the polarization of the perovskite resulting in a relatively quick response of the modified device. The ITO/PTEBS/CH 3 NH 3 PbI 3 /spiro-MeOTAD/Au cells by an all low-temperature process achieved power conversion efficiencies of up to 15.4% without apparent hysteresis effect. Consequently, the utilization of this water-soluble polythiophene is a practical approach for the fabrication of highly efficient, large-area, and low-cost PSCs and compatible with low-temperature solution process, roll-to-roll manufacture, and flexible application.

Floating rGO-based black membranes for solar driven sterilization.

PubMed

Zhang, Yao; Zhao, Dengwu; Yu, Fan; Yang, Chao; Lou, Jinwei; Liu, Yanming; Chen, Yingying; Wang, Zhongyong; Tao, Peng; Shang, Wen; Wu, Jianbo; Song, Chengyi; Deng, Tao

2017-12-14

This paper presents a new steam sterilization approach that uses a solar-driven evaporation system at the water/air interface. Compared to the conventional solar autoclave, this new steam sterilization approach via interfacial evaporation requires no complex system design to bear high steam pressure. In such a system, a reduced graphene oxide/polytetrafluoroethylene composite membrane floating at the water/air interface serves as a light-to-heat conversion medium to harvest and convert incident solar light into localized heat. Such localized heat raises the temperature of the membrane substantially and helps generate steam with a temperature higher than 120 °C. A sterilization device that takes advantage of the interfacial solar-driven evaporation system was built and its successful sterilization capability was demonstrated through both chemical and biological sterilization tests. The interfacial evaporation-based solar driven sterilization approach offers a potential low cost solution to meet the need for sterilization in undeveloped areas that lack electrical power but have ample solar radiation.

Interfacial behavior of confined mesogens at smectic-C*-water boundary

NASA Astrophysics Data System (ADS)

Chandran, Achu; Khanna, P. K.; Haranath, D.; Biradar, Ashok M.

2018-02-01

In this paper, we have investigated the behavior of mesogens at smectic-C*-water interface confined in a liquid crystal (LC) cell with interfacial geometry. Polarized optical microscopy was used to probe the appearance of various smectic-C* domain patterns at water interface owing to the reorientation of mesogens. The undulated stripe domains observed at the air interface of smectic-C* meniscus vanished as the water entered into the smectic layers and focal conical domain patterns appeared at smectic-C*-water boundary. A spatially variable electro-optical switching of LC molecules was also observed outside the electrode area of the interfacial cell. The electrode region at the interface, as well as on the water side, was damaged upon application of an electric field of magnitude more than 150 kV/m. The change in dielectric parameters of mesogens was extensively studied at interface after evaporating the water. These studies give fundamental insights into smectic-C*-water interface and also will be helpful in fabricating better LC devices for electro-optical and sensing applications.

Bending response of cross-ply laminated composite plates with diagonally perturbed localized interfacial degeneration.

PubMed

Kam, Chee Zhou; Kueh, Ahmad Beng Hong

2013-01-01

A laminated composite plate element with an interface description is developed using the finite element approach to investigate the bending performance of two-layer cross-ply laminated composite plates in presence of a diagonally perturbed localized interfacial degeneration between laminae. The stiffness of the laminate is expressed through the assembly of the stiffnesses of lamina sub-elements and interface element, the latter of which is formulated adopting the well-defined virtually zero-thickness concept. To account for the extent of both shear and axial weak bonding, a degeneration ratio is introduced in the interface formulation. The model has the advantage of simulating a localized weak bonding at arbitrary locations, with various degeneration areas and intensities, under the influence of numerous boundary conditions since the interfacial description is expressed discretely. Numerical results show that the bending behavior of laminate is significantly affected by the aforementioned parameters, the greatest effect of which is experienced by those with a localized total interface degeneration, representing the case of local delamination.

Cell Partition in Two Polymer Aqueous Phases

NASA Technical Reports Server (NTRS)

Brooks, D. E.

1985-01-01

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

Surfactant Effect on Hydrate Crystallization at the Oil-Water Interface.

PubMed

Dann, Kevin; Rosenfeld, Liat

2018-05-29

Gas hydrates pose economic and environmental risks to the oil and gas industry when plug formation occurs in pipelines. A novel approach was applied to understand cyclopentane clathrate hydrate formation in the presence of nonionic surfactant to achieve hydrate inhibition at low percent weight compared to thermodynamic inhibitors. The hydrate-inhibiting performance of low (CMC) concentrations of Span 20, Span 80, Pluronic L31, and Tween 65 at 2 °C on a manually nucleated 2 μL droplet showed a morphological shift in crystallization from planar shell growth to conical growth. Monitoring the internal pressure of the water droplet undergoing hydrate crystallization provides information on the change in interfacial tension during the crystallization process. The results of this study will provide information on the surfactant effect on hydrate crystallization and inhibition. At low surfactant concentrations (below CMC), a planar hydrate crystal was formed. Decreasing interfacial tension was observed, which can be related to the shrinking area of the water-cyclopentane interface. At high surfactant concentration, the crystal morphology was shifted to conical. Interfacial tension measurements reveal oscillations of the interfacial tension during the crystallization process. The oscillations of the interfacial tension result from the fact that once the crystal has reached a critical size a portion of the cone breaks free from the droplet surface, which results in a sudden increase in the available surface for the surfactant molecules. Hence, a temporary increase in the interfacial tension can be observed. The oscillatory behavior of the interfacial tension is a result of the growth and release of the hydrate cones from the surface of the droplet. We have found that the most efficient surfactant in hydrate inhibition would be the one with HLB closest to 10 (equal hydrophilic-hydrophobic parts). In this way, the surfactant molecules will stay at the interface as they observe equal affinities for both the oil and water phases. Surfactant molecules that have the strongest affinity to the interface will be able to inhibit the growth of the crystal as they will force the cones to break and will not allow them to grow.

Micromotion-induced strain fields influence early stages of repair at bone-implant interfaces

PubMed Central

Wazen, Rima M.; Currey, Jennifer A.; Guo, Hongqiang; Brunski, John B.; Helms, Jill A.; Nanci, Antonio

2013-01-01

Implant loading can create micromotion at the bone-implant interface. The interfacial strain associated with implant micromotion could contribute to regulating the tissue healing response. Excessive micromotion can lead to fibrous encapsulation and implant loosening. Our objective was to characterize the influence of interfacial strain on bone regeneration around implants in mouse tibiae. A micromotion system was used to create strain under conditions of (1) no initial contact between implant and bone, and (2) a direct bone-implant contact. Pin- and screw-shaped implants were subjected to displacements of 150 μm or 300 μm, 60 cycles/day, for 7 days. Pin-shaped implants placed in 5 animals were subjected to 3 sessions of 150 μm displacement per day, with 60 cycles per session. Control implants in both types of interfaces were stabilized throughout the healing period. Experimental strain analyses, microtomography, image-based displacement mapping, and finite element simulations were used to characterize interfacial strain fields. Calcified tissue sections were prepared and stained with Goldner to evaluate tissue reaction in higher and lower strain regions. In stable implants, bone formation occurred consistently around the implants. In implants subjected to micromotion, bone regeneration was disrupted in areas of high strain concentrations (e.g. > 30%), whereas lower strain values were permissive of bone formation. Increasing implant displacement or number of cycles per day also changed the strain distribution and disturbed bone healing. These results indicate that not only implant micromotion but also the associated interfacial strain field contributes to regulating the interfacial mechanobiology at healing bone-implant interfaces. PMID:23337705

Interfacial tension measurement of immiscible liq uids using a capillary tube

NASA Technical Reports Server (NTRS)

Rashidnia, N.; Balasubramaniam, R.; Delsignore, D.

1992-01-01

The interfacial tension of immiscible liquids is an important thermophysical property that is useful in the behavior of liquids both in microgravity (Martinez et al. (1987) and Karri and Mathur (1988)) and in enhanced oil recovery processes under normal gravity (Slattery (1974)). Many techniques are available for its measurement, such as the ring method, drop weight method, spinning drop method, and capillary height method (Adamson (1960) and Miller and Neogi (1985)). Karri and Mathur mention that many of the techniques use equations that contain a density difference term and are inappropriate for equal density liquids. They reported a new method that is suitable for both equal and unequal density liquids. In their method, a capillary tube forms one of the legs of a U-tube. The interfacial tension is related to the heights of the liquids in the cups of the U-tube above the interface in the capillary. Our interest in this area arose from a need to measure small interfacial tension (around 1 mN/m) for a vegetable oil/silicon oil system that was used in a thermocapillary drop migration experiment (Rashidnia and Balasubramaniam (1991)). In our attempts to duplicate the method proposed by Karri and Mathur, we found it quite difficult to anchor the interface inside the capillary tube; small differences of the liquid heights in the cups drove the interface out of the capillary. We present an alternative method using a capillary tube to measure the interfacial tensions of liquids of equal or unequal density. The method is based on the combined capillary rises of both liquids in the tube.

In Situ Bioremediation of Chlorinated Solvents Source Areas with Enhanced Mass Transfer

DTIC Science & Technology

2009-11-01

cells within NAPL Area 3 ................................. 22 Figure 6. Impact of whey injection on pH in the treatment cells...locations following 1% and 10% whey injections. ............................ 39 Figure 12. Total chlorinated ethene concentration contours at select time...points. ................ 40 Figure 13. Relationship between interfacial tension reduction and enhanced solubility of TCE DNAPL as a function of whey

Tensile property improvement of TWIP-cored three-layer steel sheets fabricated by hot-roll-bonding with low-carbon steel or interstitial-free steel

PubMed Central

Park, Jaeyeong; Kim, Jung-Su; Kang, Minju; Sohn, Seok Su; Cho, Won Tae; Kim, Hyoung Seop; Lee, Sunghak

2017-01-01

TWIP-cored three-layer steel sheets were newly fabricated by hot rolling of TWIP steel sheet surrounded by low-carbon (LC) or interstitial-free (IF) steel sheets. TWIP/LC or TWIP/IF interfaces were well bonded without pores or voids, while a few pearlites were thinly formed along the interfaces. The strengths and elongation of the TWIP-cored sheets increased as the volume fraction of TWIP-cored region increased, and were also well matched with the ones calculated by a rule of mixtures based on volume fraction or force fraction. According to digital image correlation and electron back-scatter diffraction analyses, very high strain hardening effect in the initial deformation stage and active twin formation in the interfacial region beneficially affected the overall homogeneous deformation in the TWIP-cored sheets without any yield point phenomenon occurring in the LC sheet and serrations occurring in the TWIP sheet, respectively. These TWIP-cored sheets can cover a wide range of yield strength, tensile strength, and ductility levels, e.g., 320~498 MPa, 545~878 MPa, and 48~54%, respectively, by controlling the volume fraction of TWIP-cored region, and thus present new applications to multi-functional automotive steel sheets requiring excellent properties. PMID:28067318

Tensile property improvement of TWIP-cored three-layer steel sheets fabricated by hot-roll-bonding with low-carbon steel or interstitial-free steel

NASA Astrophysics Data System (ADS)

Park, Jaeyeong; Kim, Jung-Su; Kang, Minju; Sohn, Seok Su; Cho, Won Tae; Kim, Hyoung Seop; Lee, Sunghak

2017-01-01

TWIP-cored three-layer steel sheets were newly fabricated by hot rolling of TWIP steel sheet surrounded by low-carbon (LC) or interstitial-free (IF) steel sheets. TWIP/LC or TWIP/IF interfaces were well bonded without pores or voids, while a few pearlites were thinly formed along the interfaces. The strengths and elongation of the TWIP-cored sheets increased as the volume fraction of TWIP-cored region increased, and were also well matched with the ones calculated by a rule of mixtures based on volume fraction or force fraction. According to digital image correlation and electron back-scatter diffraction analyses, very high strain hardening effect in the initial deformation stage and active twin formation in the interfacial region beneficially affected the overall homogeneous deformation in the TWIP-cored sheets without any yield point phenomenon occurring in the LC sheet and serrations occurring in the TWIP sheet, respectively. These TWIP-cored sheets can cover a wide range of yield strength, tensile strength, and ductility levels, e.g., 320~498 MPa, 545~878 MPa, and 48~54%, respectively, by controlling the volume fraction of TWIP-cored region, and thus present new applications to multi-functional automotive steel sheets requiring excellent properties.

Tensile property improvement of TWIP-cored three-layer steel sheets fabricated by hot-roll-bonding with low-carbon steel or interstitial-free steel.

PubMed

Park, Jaeyeong; Kim, Jung-Su; Kang, Minju; Sohn, Seok Su; Cho, Won Tae; Kim, Hyoung Seop; Lee, Sunghak

2017-01-09

TWIP-cored three-layer steel sheets were newly fabricated by hot rolling of TWIP steel sheet surrounded by low-carbon (LC) or interstitial-free (IF) steel sheets. TWIP/LC or TWIP/IF interfaces were well bonded without pores or voids, while a few pearlites were thinly formed along the interfaces. The strengths and elongation of the TWIP-cored sheets increased as the volume fraction of TWIP-cored region increased, and were also well matched with the ones calculated by a rule of mixtures based on volume fraction or force fraction. According to digital image correlation and electron back-scatter diffraction analyses, very high strain hardening effect in the initial deformation stage and active twin formation in the interfacial region beneficially affected the overall homogeneous deformation in the TWIP-cored sheets without any yield point phenomenon occurring in the LC sheet and serrations occurring in the TWIP sheet, respectively. These TWIP-cored sheets can cover a wide range of yield strength, tensile strength, and ductility levels, e.g., 320~498 MPa, 545~878 MPa, and 48~54%, respectively, by controlling the volume fraction of TWIP-cored region, and thus present new applications to multi-functional automotive steel sheets requiring excellent properties.

Simple sol-gel process to obtain silica-coated anatase particles with enhanced TiO2-SiO2 interfacial area.

PubMed

Resende, S F; Nunes, E H M; Houmard, M; Vasconcelos, W L

2014-11-01

In this study we prepared silica-titania composites with a low SiO2:TiO2 molar ratio. These materials were prepared using a simple sol-gel route in which a hydrothermal treatment was used to obtain mesoporous anatase particles. Pure titania was also synthetized for comparison purposes. These materials were examined by scanning and transmission electron microscopy (SEM and TEM, respectively), energy dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry (DSC), and nitrogen sorption tests. A thin silica coating was formed on the anatase particles. It was observed that the presence of this coating led to samples with an enhanced thermal stability. Indeed, the composites prepared in this work showed an anatase structure and a high specific surface area (SSA), even after their calcination at 800°C. Thus, we believe that the synthetized material present an outstanding SiO2-TiO2 interfacial area associated with a high amount of anatase particles which could improve its photoactive properties. Copyright © 2014 Elsevier Inc. All rights reserved.

High reduction of interfacial charge recombination in colloidal quantum dot solar cells by metal oxide surface passivation.

PubMed

Chang, Jin; Kuga, Yuki; Mora-Seró, Iván; Toyoda, Taro; Ogomi, Yuhei; Hayase, Shuzi; Bisquert, Juan; Shen, Qing

2015-03-12

Bulk heterojunction (BHJ) solar cells based on colloidal QDs and metal oxide nanowires (NWs) possess unique and outstanding advantages in enhancing light harvesting and charge collection in comparison to planar architectures. However, the high surface area of the NW structure often brings about a large amount of recombination (especially interfacial recombination) and limits the open-circuit voltage in BHJ solar cells. This problem is solved here by passivating the surface of the metal oxide component in PbS colloidal quantum dot solar cells (CQDSCs). By coating thin TiO2 layers onto ZnO-NW surfaces, the open-circuit voltage and power conversion efficiency have been improved by over 40% in PbS CQDSCs. Characterization by transient photovoltage decay and impedance spectroscopy indicated that the interfacial recombination was significantly reduced by the surface passivation strategy. An efficiency as high as 6.13% was achieved through the passivation approach and optimization for the length of the ZnO-NW arrays (device active area: 16 mm2). All solar cells were tested in air, and exhibited excellent air storage stability (without any performance decline over more than 130 days). This work highlights the significance of metal oxide passivation in achieving high performance BHJ solar cells. The charge recombination mechanism uncovered in this work could shed light on the further improvement of PbS CQDSCs and/or other types of solar cells.

Influence of the interfacial peptide organization on the catalysis of hydrogen evolution.

PubMed

Doneux, Th; Dorcák, V; Palecek, E

2010-01-19

The hydrogen evolution reaction is catalyzed by peptides and proteins adsorbed on electrode materials with high overpotentials for this reaction, such as mercury. The catalytic response characteristics are known to be very sensitive to the composition and structure of the investigated biomolecule, opening the way to the implementation of a label-free, reagentless electroanalytical method in protein analysis. Herein, it is shown using the model peptide Cys-Ala-Ala-Ala-Ala-Ala that the interfacial organization significantly influences the catalytic behavior. This peptide forms at the electrode two distinct films, depending on the concentration and accumulation time. The low-coverage film, composed of flat-lying molecules (area per molecule of approximately 250-290 A(2)), yields a well-defined catalytic peak at potentials around -1.75 V. The high-coverage film, made of upright-oriented peptides (area per molecule of approximately 43 A(2)), is catalytically more active and the peak is observed at potentials less negative by approximately 0.4 V. The higher activity, evidenced by constant-current chronopotentiometry and cyclic voltammetry, is attributed to an increase in the acid dissociation constant of the amino acid residues as a result of the low permittivity of the interfacial region, as inferred from impedance measurements. An analogy is made to the known differences in acidic-basic behaviors of solvent-exposed and hydrophobic domains of proteins.

Measurement of the Surface Dilatational Viscosity of an Insoluble Surfactant Monolayer at the Air/Water Interface Using a Pendant Drop Apparatus

NASA Technical Reports Server (NTRS)

Lorenzo, Jose; Couzis, Alex; Maldarelli, Charles; Singh, Bhim S. (Technical Monitor)

2000-01-01

When a fluid interface with surfactants is at rest, the interfacial stress is isotropic (as given by the equilibrium interfacial tension), and is described by the equation of state which relates the surface tension to the surfactant surface concentration. When surfactants are subjected to shear and dilatational flows, flow induced interaction of the surfactants; can create interfacial stresses apart from the equilibrium surface tension. The simplest relationship between surface strain rate and surface stress is the Boussinesq-Scriven constitutive equation completely characterized by three coefficients: equilibrium interfacial tension, surface shear viscosity, and surface dilatational viscosity Equilibrium interfacial tension and surface shear viscosity measurements are very well established. On the other hand, surface dilatational viscosity measurements are difficult because a flow which change the surface area also changes the surfactant surface concentration creating changes in the equilibrium interfacial tension that must be also taken into account. Surface dilatational viscosity measurements of existing techniques differ by five orders of magnitude and use spatially damped surface waves and rapidly expanding bubbles. In this presentation we introduce a new technique for measuring the surface dilatational viscosity by contracting an aqueous pendant drop attached to a needle tip and having and insoluble surfactant monolayer at the air-water interface. The isotropic total tension on the surface consists of the equilibrium surface tension and the tension due to the dilation. Compression rates are undertaken slow enough so that bulk hydrodynamic stresses are small compared to the surface tension force. Under these conditions we show that the total tension is uniform along the surface and that the Young-Laplace equation governs the drop shape with the equilibrium surface tension replaced by the constant surface isotropic stress. We illustrate this technique using DPPC as the insoluble surfacant monolayer and measured for it a surface dilatational viscosity in the LE phase that is 20 surface poise.

A soluble star-shaped silsesquioxane-cored polymer-towards novel stabilization of pH-dependent high internal phase emulsions.

PubMed

Xing, Yuxiu; Peng, Jun; Xu, Kai; Gao, Shuxi; Gui, Xuefeng; Liang, Shengyuan; Sun, Longfeng; Chen, Mingcai

2017-08-30

A well-defined pH-responsive star-shaped polymer containing poly(N,N-dimethylaminoethyl methacrylate) (PDMA) arms and a cage-like methacryloxypropyl silsesquioxane (CMSQ-T 10 ) core was used as an interfacial stabilizer for emulsions consisting of m-xylene and water. We explored the properties of the CMSQ/PDMA star-shaped polymer using the characteristic results of nuclear magnetic resonance (NMR) spectroscopy, size exclusion chromatography (SEC), dynamic light scattering (DLS), and zeta potential and conductivity measurements. The interfacial tension results showed that the CMSQ/PDMA star-shaped polymer reduced the interfacial tension between water and oil in a pH-dependent manner. Gelled high internal phase emulsions (HIPEs) including o/w and w/o types were formed in the pH ranges of 1.2-5.8 and 9.1-12.3 with the CMSQ/PDMA star-shaped polymer as a stabilizer, when the oil fractions were 80-90 vol% and 10-20 vol%, respectively. The soluble star-shaped polymer aggregated spontaneously to form a microgel that adsorbed to the two immiscible phases. Images of the fluorescently labeled polymers demonstrated that there was a star-shaped polymer in the continuous phase, and the non-Pickering stabilization based on the percolating network of the star-shaped polymer also contributed to the stabilization of the HIPE. This pH-dependent HIPE was prepared with a novel stabilization mechanism consisting of microgel adsorption and non-Pickering stabilization. Moreover, the preparation of HIPEs provided the possibility of their application in porous materials and responsive materials.

Interfacial Water at Protein Surfaces: Wide-Line NMR and DSC Characterization of Hydration in Ubiquitin Solutions

PubMed Central

Tompa, Kálmán; Bánki, Péter; Bokor, Mónika; Kamasa, Pawel; Lasanda, György; Tompa, Péter

2009-01-01

Wide-line 1H-NMR and differential scanning calorimetry measurements were done in aqueous solutions and on lyophilized samples of human ubiquitin between −70°C and +45°C. The measured properties (size, thermal evolution, and wide-line NMR spectra) of the protein-water interfacial region are substantially different in the double-distilled and buffered-water solutions of ubiquitin. The characteristic transition in water mobility is identified as the melting of the nonfreezing/hydrate water. The amount of water in the low-temperature mobile fraction is 0.4 g/g protein for the pure water solution. The amount of mobile water is higher and its temperature dependence more pronounced for the buffered solution. The specific heat of the nonfreezing/hydrate water was evaluated using combined differential scanning calorimetry and NMR data. Considering the interfacial region as an independent phase, the values obtained are 5.0–5.8 J·g−1·K−1, and the magnitudes are higher than that of pure/bulk water (4.2 J·g−1·K−1). This unexpected discrepancy can only be resolved in principle by assuming that hydrate water is in tight H-bond coupling with the protein matrix. The specific heat for the system composed of the protein molecule and its hydration water is 2.3 J·g−1·K−1. It could be concluded that the protein ubiquitin and its hydrate layer behave as a highly interconnected single phase in a thermodynamic sense. PMID:19348762

Oxygen transport enhancement by functionalized magnetic nanoparticles (FMP) in bioprocesses

NASA Astrophysics Data System (ADS)

Ataide, Filipe Andre Prata

The enhancement of fluid properties, namely thermal conductivity and mass diffusivity for a wide range of applications, through the use of nanosized particles' suspensions has been gathering increasing interest in the scientific community. In previous studies, Olle et al. (2006) showed an enhancement in oxygen absorption to aqueous solutions of up to 6-fold through the use of functionalized nanosized magnetic particles with oleic acid coating. Krishnamurthy et al. (2006) showed a remarkable 26-fold enhancement in dye diffusion in water. These two publications are landmarks in mass transfer enhancement in chemical systems through the use of nanoparticles. The central goal of this Ph.D. thesis was to develop functionalized magnetic nanoparticles to enhance oxygen transport in bioprocesses. The experimental protocol for magnetic nanoparticles synthesis and purification adopted in this thesis is a modification of that reported by Olle et al. (2006). This is facilitated by employing twice the quantity of ammonia, added at a slower rate, and by filtering the final nanoparticle solution in a cross-flow filtration modulus against 55 volumes of distilled water. This modification in the protocol resulted in improved magnetic nanoparticles with measurably higher mass transfer enhancement. Magnetic nanoparticles with oleic acid and Hitenol-BC coating were screened for oxygen transfer enhancement, since these particles are relatively inexpensive and easy to synthesize. A glass 0.5-liter reactor was custom manufactured specifically for oxygen transport studies in magnetic nanoparticles suspensions. The reactor geometry, baffles and Rushton impeller are of standard dimensions. Mass transfer tests were conducted through the use of the sulphite oxidation method, applying iodometric back-titration. A 3-factor central composite circumscribed design (CCD) was adopted for design of experiments in order to generate sufficiently informative data to model the effect of magnetic nanoparticles on interfacial area and mass transfer coefficient. The parameters ranges used were: 250-750 rpm for stirring speed, 0-2 vvm for aeration and 0-0.00120 g g?1 magnetic nanoparticles mass fraction. It was found that 36 nm-sized nanoparticles produced during the course of this dissertation enhanced the volumetric mass transfer coefficient up to 3.3-fold and the interfacial area up to 3.3-fold in relation to gas-liquid dispersions without nanoparticles. These results are concordant with previously published enhancement data (kLa enhancement by 7.1-fold and a enhancement by 4.1-fold) (Olle et al. 2006). The magnetic nanoparticles synthesized in this thesis were stable (constant diameter) over a 1wide pH range (2-9). Statistical regression models showed that both kLa and a have high sensitivity to the nanoparticles loading. Empirical correlation models were derived for kLa and for interfacial area, a, as function of physical properties and nanoparticles loading. These correlations lay out a methodology that can help the scientific community to design and scale-up oxygen transfer systems that are based on nanoparticle suspensions. None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None None

Microplasma Jet Synthesis of Ni-Fe Oxide Films for Magnetic Exchange Bias and Electrocatalytic Studies

NASA Astrophysics Data System (ADS)

Pebley, Andrew Christian

Ni-Fe oxides have received significant interest from the scientific community because they have attractive magnetic and electrochemical properties for use in next generation data storage and energy conversion technologies. For example, the NiFe2O4/NiO nanogranular system exhibits the exchange bias effect, a magnetic phenomenon occurring at the interface of a ferro- or ferrimagnet (FM or FiM) and an antiferromagnet (AFM), where the AFM acts to increase the magnetic hardness of the corresponding FM or FiM. Additionally, doping of NiO with Fe has resulted in remarkably high catalytic activities for water splitting, a potential clean energy alternative to fossil fuels. A key challenge in implementing these Ni-Fe oxides for magnetic and electrocatalytic applications is the ability to control film morphology, crystallinity, composition, chemical phase, and doping during synthesis. Moreover, how these physiochemical properties effect magnetic and electrochemical behavior in the Ni-Fe oxide system is not fully understood. This dissertation focuses on the development and use of a novel synthesis technique, known as microplasma (MP) jet-based deposition, for the fabrication of biphasic NiFe2O4 (FiM)/NiO (AFM) and Fe-doped NiO nanostructured films for fundamental studies of exchange bias and electrocatalysis, respectively. The goal of this work was to understand how MP operation and deposition conditions (e.g., precursor composition, flux, substrate temperature, and post-deposition heat treatment) influence Ni-Fe oxide growth and film microstructure. Specifically, the role of composition, phase fraction, grain size, temperature, and interfacial density on exchange bias phenomena in NiFe 2O4/NiO nanogranular films was investigated. MP jets were also used to realize metastable Fe-doped NiO films with high surface area to assess how doping affects the electrochemical properties of NiO for the oxygen evolution reaction (OER). Biphasic NiFe2O4/NiO films of different composition were synthesized using MP jets and post-deposition annealing. The exchange bias effect (HE) and enhanced coercivity (HC) were seen at 300 K, which was the first time that HE has been reported at room temperature in the NiFe2O4/NiO nanogranular system. These values increased with Ni incorporation, and were rationalized as due to increased NiFe2O4/NiO interfacial density. Moreover, MP jet deposition of NiFe2O4/NiO films on heated substrates was explored to realize higher interfacial densities. HE was observed at low temperatures in these films, but not at room temperature, which was attributed to spin glass coupling arising from structurally disordered interfaces. Through systematic post-deposition heat treatments, it was found that spin glass-like phases disappeared after annealing, and the observed HE was due to direct exchange coupling between the NiO and NiFe2O 4 phases. MP jets were also used to deposit high-surface area, metastable Fe-doped NiO films of different composition (up to 20% Fe on a metals basis) at room temperature on indium tin oxide (ITO) substrates for OER catalysis. It was seen that Fe fully incorporated into the NiO rocksalt lattice, decreasing the overpotential for OER (i.e., 360 to 310 mV at 10 mA/cm2 for NiO and Ni0.95Fe0.05O, respectively). Turnover frequency (TOF) calculations demonstrated an improvement in the catalytic activity of the NiO surface with Fe doping, and chronopotentiometry measurements verified that Fe-doped NiO films were mechanically and chemically robust during extended operation under OER conditions. Overall, this work demonstrates the potential of MP jet deposition as a versatile, one-step approach to realize multi-phase and doped nanostructured oxide films with high interfacial densities and surface areas for a variety of magnetic and energy conversion applications.

Microstructure and Corrosion Characterization of Squeeze Cast AM50 Magnesium Alloys

NASA Astrophysics Data System (ADS)

Sachdeva, Deepika; Tiwari, Shashank; Sundarraj, Suresh; Luo, Alan A.

2010-12-01

Squeeze casting of magnesium alloys potentially can be used in lightweight chassis components such as control arms and knuckles. This study documents the microstructural analysis and corrosion behavior of AM50 alloys squeeze cast at different pressures between 40 and 120 MPa and compares them with high-pressure die cast (HPDC) AM50 alloy castings and an AM50 squeeze cast prototype control arm. Although the corrosion rates of the squeeze cast samples are slightly higher than those observed for the HPDC AM50 alloy, the former does produce virtually porosity-free castings that are required for structural applications like control arms and wheels. This outcome is extremely encouraging as it provides an opportunity for additional alloy and process development by squeeze casting that has remained relatively unexplored for magnesium alloys compared with aluminum. Among the microstructural parameters analyzed, it seems that the β-phase interfacial area, indicating a greater degree of β network, leads to a lower corrosion rate. Weight loss was the better method for determining corrosion behavior in these alloys that contain a large fraction of second phase, which can cause perturbations to an overall uniform surface corrosion behavior.

Contact mechanics for poroelastic, fluid-filled media, with application to cartilage.

PubMed

Persson, B N J

2016-12-21

I study a simple contact mechanics model for a poroelastic, fluid-filled solid squeezed against a rigid, randomly rough substrate. I study how the fluid is squeezed out from the interface, and how the area of contact, and the average interfacial separation, change with time. I present numerical results relevant for a human cartilage. I show that for a fluid filled poroelastic solid the probability of cavitation (and the related wear as the cavities implode), and dynamical scraping (defined below and in Hutt and Persson, J. Chem. Phys. 144, 124903 (2016)), may be suppressed by fluid flow from the poroelastic solid into the (roughness induced) interfacial gap between the solids.

Contact mechanics for poroelastic, fluid-filled media, with application to cartilage

NASA Astrophysics Data System (ADS)

Persson, B. N. J.

2016-12-01

I study a simple contact mechanics model for a poroelastic, fluid-filled solid squeezed against a rigid, randomly rough substrate. I study how the fluid is squeezed out from the interface, and how the area of contact, and the average interfacial separation, change with time. I present numerical results relevant for a human cartilage. I show that for a fluid filled poroelastic solid the probability of cavitation (and the related wear as the cavities implode), and dynamical scraping (defined below and in Hutt and Persson, J. Chem. Phys. 144, 124903 (2016)), may be suppressed by fluid flow from the poroelastic solid into the (roughness induced) interfacial gap between the solids.

Tribology theory versus experiment

NASA Technical Reports Server (NTRS)

Ferrante, John

1987-01-01

Tribology, the study of friction and wear of materials, has achieved a new interest because of the need for energy conservation. Fundamental understanding of this field is very complex and requires a knowledge of solid-state physics, material science, chemistry, and mechanical engineering. This paper is meant to be didactic in nature and outlines some of the considerations needed for a tribology research program. The approach is first to present a simple model, a field emission tip in contact with a flat surface, in order to elucidate important considerations, such as contact area, mechanical deformations, and interfacial bonding. Then examples from illustrative experiments are presented. Finally, the current status of physical theories concerning interfacial bonding are presented.

Rotary seal with improved film distribution

DOEpatents

Dietle, Lannie Laroy; Schroeder, John Erick

2013-10-08

The present invention is a generally circular rotary seal that establishes sealing between relatively rotatable machine components for lubricant retention and environmental exclusion, and incorporates seal geometry that interacts with the lubricant during relative rotation to distribute a lubricant film within the dynamic sealing interface. The features of a variable inlet size, a variable dynamic lip flank slope, and a reduction in the magnitude and circumferentially oriented portion of the lubricant side interfacial contact pressure zone at the narrowest part of the lip, individually or in combination thereof, serve to maximize interfacial lubrication in severe operating conditions, and also serve to minimize lubricant shear area, seal torque, seal volume, and wear, while ensuring retrofitability into the seal grooves of existing equipment.

Rotary seal with improved film distribution

DOEpatents

Dietle, Lannie Laroy; Schroeder, John Erick

2015-09-01

The present invention is a generally circular rotary seal that establishes sealing between relatively rotatable machine components for lubricant retention and environmental exclusion, and incorporates seal geometry that interacts with the lubricant during relative rotation to distribute a lubricant film within the dynamic sealing interface. The features of a variable inlet size, a variable dynamic lip flank slope, and a reduction in the magnitude and circumferentially oriented portion of the lubricant side interfacial contact pressure zone at the narrowest part of the lip, individually or in combination thereof, serve to maximize interfacial lubrication in severe operating conditions, and also serve to minimize lubricant shear area, seal torque, seal volume, and wear, while ensuring retrofitability into the seal grooves of existing equipment.

Investigation into Behavior of a Steam-Water Mixture Flow Through Holes in a Submerged Perforated Sheet at High Void Fractions

NASA Astrophysics Data System (ADS)

Melikhov, V. I.; Melikhov, O. I.; Nerovnov, A. A.; Nikonov, S. M.

2018-01-01

Processing of experimental data on the pressure difference across a submerged perforated sheet (SPS) revealed that, at sufficiently high void fractions under SPS, the pressure difference across it became less than the pressure difference for the pure steam stream with the same flowrate. To find the cause of this, the effect of a liquid film, which can be formed on the SPS upstream surface as a result of water droplets' impact and can smooth over sharp edges of holes in SDS, was examined. This can decrease the pressure drop across the sharp edges of holes. This assumption was checked through numerical solution to several model problems in the axisymmetric formulation for a steam flow in a round pipe with an orifice. The flow of steam and water was modeled using the viscous incompressible liquid approximation, while the turbulence was described by the k-ɛ model. The evolution of the interfacial area was modeled using the VOF model. The following model problems of steam flow through an orifice were studied: a single-phase flow, a flow through the orifice with a liquid film on its upstream surface, a flow through a chamfered hole, and a flow through the orifice with a liquid film on its upstream surface without liquid supply to the film. The predictions demonstrate that even the approximate account of the liquid film effect on the steam flow yields a considerable decrease in the pressure drop across the hole (from 8 to 24%) due to smoothing its sharp outlet edges over. This makes it possible to make a conclusion that the cause of a decrease in the pressure drop across SPS observed in the experiments at high void fractions is the formation of a liquid film, which smooths the sharp edges of the hole.

Studying the reducing potencies of antioxidants with the electrochemistry inherently present in electrospray ionization-mass spectrometry.

PubMed

Plattner, Sabine; Erb, Robert; Chervet, Jean-Pierre; Oberacher, Herbert

2014-01-01

In this proof-of-principle study, the applicability of electrospray ionization-mass spectrometry (ESI-MS) to characterize the reducing potencies of natural antioxidants is demonstrated. The ESI source represents a controlled-current electrochemical cell. The interfacial potential at the emitter electrode will be at or near the electrochemical potential of those reactions that sufficiently supply all the required current for the ESI circuit. Indicator molecules prone to oxidation in ESI such as amodiaquine were used to visualize the impact of reducing compounds on the interfacial potential. The extent of inhibition of the oxidation of the indicator molecule was found to be dependent on the kind and amount of antioxidant added. Concentration-inhibition curves were constructed and used to compare reducing potencies and to rank antioxidants. This ranking was found to be dependent on the electrode material-indicator molecule combination applied. For fast and automated characterization of the reducing potencies of electrochemically active molecules, a flow-injection system was combined with ESI-MS. Liquid chromatography was used to process complex biological samples, such as red and white wine. Due to their high content of different polyphenols, red wine fractions were found to exhibit higher reducing potencies than the corresponding white wine fractions. Furthermore, for 14 important natural antioxidants, the results obtained with the controlled-current EC-ESI-MS assay were compared to those obtained with chemical antioxidant assays. Irrespectively of the kind of assay used to test the reducing potency, gallic acid, quercetin, and epicatechin were found to be potent reductants. Other antioxidants performed well in one particular assay only. This observation suggests that different kinds of redox and antioxidant chemistry were assessed with each of the assays applied. Therefore, several assays should be used to comprehensively study antioxidants and their reducing potencies.

Mixed ionic-electronic conductors for electrodes of barium cerate-based SOFCS

NASA Astrophysics Data System (ADS)

Wu, Zhonglin

Gadolinium doped barium cerates (BCGs) have been identified as promising electrolyte materials for intermediate-temperature solid oxide fuel cells (SOFCs). It is crucial to develop compatible electrode materials for such electrolytes. Mixed ionic-electronic conductor (MIEC) electrode materials developed for SOFCs based on yttrium-stabilized zirconia (YSZ) may be used as electrode materials for BCG-based SOFCs; but a careful re-evaluation is required due to the intrinsic differences between BCG and YSZ. The performance of these electrode materials depends critically the transport of ionic and electronic species as well as gas. Accordingly, a profound understanding of transport in MIEC electrodes is imperative to effective design of high performance SOFCs. In this thesis, ambipolar transport in composite MIEC electrodes has been modeled using percolation theory to predict the effect of volume fractions of constituent phases and porosity on ambipolar conductivity. Transport and electrode kinetics of homogeneous MIEC electrodes have also been formulated under a steady-state condition to predict the distributions of ionic defects and current carried by each defect in such electrodes. Effects of catalytic properties, transport properties, and microstructure of porous electrodes and interfaces on the electrode performance are investigated. Under the guidelines of the theoretical modeling, several MIEC electrode materials are developed. Lasb{1-x}Srsb{x}Cosb{1-x}Fesb{y}Osb{3-delta} homogeneous materials are studied as cathode materials. However, the interfacial resistance seems too high due to the lack of catalytic activity at intermediate temperatures. Results indicate that Ag-Bisb{1.5}Ysb{0.5}Osb3 composite MIECs are good cathode materials when the volume fractions of constituent phases and porosity are carefully controlled. Such electrodes have low interfacial resistance, better binding strength, and smaller thermal mismatch with the BCG electrolyte, compared to other metal electrodes (such as Pt and Ag). Ni-BCG composite MIECs are studied as anode materials. It is found that electrodes prepared from NiO and reduced to Ni in situ is not catalytically active because of diffusion of NiO into BCG, which forms a resistive layer. Electrodes prepared from Ni metal and fired in an inert or reducing atmosphere exhibit low interfacial resistance and good compatibility with BCG electrolyte. Stability of these developed electrode materials is investigated under conditions pertinent to SOFCs.

Interfacial behaviour of sodium stearoyllactylate (SSL) as an oil-in-water pickering emulsion stabiliser.

PubMed

Kurukji, D; Pichot, R; Spyropoulos, F; Norton, I T

2013-11-01

The ability of a food ingredient, sodium stearoyllactylate (SSL), to stabilise oil-in-water (O/W) emulsions against coalescence was investigated, and closely linked to its capacity to act as a Pickering stabiliser. Results showed that emulsion stability could be achieved with a relatively low SSL concentration (≥0.1 wt%), and cryogenic-scanning electron microscopy (cryo-SEM) visualisation of emulsion structure revealed the presence of colloidal SSL aggregates adsorbed at the oil-water interface. Surface properties of SSL could be modified by altering the size of these aggregates in water; a faster decrease in surface tension was observed when SSL dispersions were subjected to high pressure homogenisation (HPH). The rate of SSL adsorption at the sunflower oil-water interface also increased after HPH, and a higher interfacial tension (IFT) was observed with increasing SSL concentration. Differential scanning calorimetry (DSC) enabled a comparison of the thermal behaviour of SSL in aqueous dispersions with SSL-stabilised O/W emulsions. SSL melting enthalpy depended on emulsion interfacial area and the corresponding DSC data was used to determine the amount of SSL adsorbed at the oil-water interface. An idealised theoretical interfacial coverage calculation based on Pickering emulsion theory was in general agreement with the mass of SSL adsorbed as predicted by DSC. Copyright © 2013 The Authors. Published by Elsevier Inc. All rights reserved.

The origin of high electrolyte-electrode interfacial resistances in lithium cells containing garnet type solid electrolytes.

PubMed

Cheng, Lei; Crumlin, Ethan J; Chen, Wei; Qiao, Ruimin; Hou, Huaming; Franz Lux, Simon; Zorba, Vassilia; Russo, Richard; Kostecki, Robert; Liu, Zhi; Persson, Kristin; Yang, Wanli; Cabana, Jordi; Richardson, Thomas; Chen, Guoying; Doeff, Marca

2014-09-14

Dense LLZO (Al-substituted Li7La3Zr2O12) pellets were processed in controlled atmospheres to investigate the relationships between the surface chemistry and interfacial behavior in lithium cells. Laser induced breakdown spectroscopy (LIBS), scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy, synchrotron X-ray photoelectron spectroscopy (XPS) and soft X-ray absorption spectroscopy (XAS) studies revealed that Li2CO3 was formed on the surface when LLZO pellets were exposed to air. The distribution and thickness of the Li2CO3 layer were estimated by a combination of bulk and surface sensitive techniques with various probing depths. First-principles thermodynamic calculations confirmed that LLZO has an energetic preference to form Li2CO3 in air. Exposure to air and the subsequent formation of Li2CO3 at the LLZO surface is the source of the high interfacial impedances observed in cells with lithium electrodes. Surface polishing can effectively remove Li2CO3 and dramatically improve the interfacial properties. Polished samples in lithium cells had an area specific resistance (ASR) of only 109 Ω cm(2) for the LLZO/Li interface, the lowest reported value for Al-substituted LLZO. Galvanostatic cycling results obtained from lithium symmetrical cells also suggest that the quality of the LLZO/lithium interface has a significant impact on the device lifetime.

Interfacial reactions and wetting in Al-Mg sintered by powder metallurgy process

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

Faisal, Heny, E-mail: faisal@physics.its.ac.id; Darminto,; Triwikantoro,

2016-04-19

Was conducted to analyze the effect of temperature variation on the bonding interface sintered composite Al-Mg and analyze the effect of variations of the density and hardness sinter. Research carried out by the base material powders of Al, Mg powder and solvent n-butanol. The method used in this study is a powder metallurgy, with a composition of 60% volume fraction of Al - 40% Mg. Al-Mg mixing with n-butanol for 1 hour at 500 rpm. Then the emphasis (cold comression) with a size of 1.4 cm in diameter dies and height of 2.8 cm, is pressed with a force of 20 MPa and heldmore » for 15 minutes. After the sample into pellets, then sintered at various temperatures 300 °C, 350 °C, 400 °C and 450 °C. Characterization is done by using the testing green density, sintered density, X-ray diffraction (XRD), Scanning Electron Microscopy (SEM), vickers microhardness, and press test. XRD data analysis done by using X’Pert High Score Plus (HSP) to determine whether there is a new phase is formed. Test results show that the sintered density increasing sintering temperature, the resulting density is also increasing (shrinkage). However, at a temperature of 450 °C decreased (swelling). With the increased sinter density, interfacial bonding getting Kuta and more compact so that its hardness is also increased. From the test results of SEM / EDX, there Mg into Al in the border area. At temperatures of 300 °C, 350 °C, 400 °C, the phase formed is Al, Mg and MgO. While phase is formed at a temperature of 450 °C is aluminum magnesium (Al{sub 3}Mg{sub 2}), Aluminum Magnesium Zinc (AlMg{sub 2}Zn).« less

EXPERIMENTAL INVESTIGATION OF RELATIVE PERMEABILITY UPSCALING FROM THE MICRO-SCALE TO THE MACRO-SCALE

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

Laura J. Pyrak-Nolte; Nicholas J. Giordano; David D. Nolte

2004-03-01

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. This project on the experimental investigation of relative permeability upscaling has produced a unique combination of three quite different technical approaches to the upscaling problem of obtaining pore-related microscopic properties and using them to predict macroscopic behavior. Several important ''firsts'' have been achieved during the course of the project. (1) Optical coherence imaging, a laser-based ranging and imaging technique, has produced the first images of grain and pore structure up to 1 mm beneath the surface of the sandstone and in a laboratory borehole. (2) Woods metal injection has connected for the first time microscopic pore-scale geometric measurements with macroscopic saturation in real sandstone cores. (3) The micro-model technique has produced the first invertible relationship between saturation and capillary pressure--showing that interfacial area per volume (IAV) provides the linking parameter. IAV is a key element in upscaling theories, so this experimental finding may represent the most important result of this project, with wide ramifications for predictions of fluid behavior in porous media.« less

Multiphase flow modeling in centrifugal partition chromatography.

PubMed

Adelmann, S; Schwienheer, C; Schembecker, G

2011-09-09

The separation efficiency in Centrifugal Partition Chromatography (CPC) depends on selection of a suitable biphasic solvent system (distribution ratio, selectivity factor, sample solubility) and is influenced by hydrodynamics in the chambers. Especially the stationary phase retention, the interfacial area for mass transfer and the flow pattern (backmixing) are important parameters. Their relationship with physical properties, operating parameters and chamber geometry is not completely understood and predictions are hardly possible. Experimental flow visualization is expensive and two-dimensional only. Therefore we simulated the flow pattern using a volume-of-fluid (VOF) method, which was implemented in OpenFOAM®. For the three-dimensional simulation of a rotating FCPC®-chamber, gravitational centrifugal and Coriolis forces were added to the conservation equation. For experimental validation the flow pattern of different solvent systems was visualized with an optical measurement system. The amount of mobile phase in a chamber was calculated from gray scale values of videos recorded by an image processing routine in ImageJ®. To visualize the flow of the stationary phase polyethylene particles were used to perform a qualitative particle image velocimetry (PIV) analysis. We found a good agreement between flow patterns and velocity profiles of experiments and simulations. By using the model we found that increasing the chamber depth leads to higher specific interfacial area. Additionally a circular flow in the stationary phase was identified that lowers the interfacial area because it pushes the jet of mobile phase to the chamber wall. The Coriolis force alone gives the impulse for this behavior. As a result the model is easier to handle than experiments and allows 3D prediction of hydrodynamics in the chamber. Additionally it can be used for optimizing geometry and operating parameters for given physical properties of solvent systems. Copyright © 2011 Elsevier B.V. All rights reserved.

Influence of the oil globule fraction on the release rate profiles from multiple W/O/W emulsions.

PubMed

Bonnet, Marie; Cansell, Maud; Placin, Frédéric; Monteil, Julien; Anton, Marc; Leal-Calderon, Fernando

2010-06-15

Water-in-oil-in-water (W/O/W) double emulsions were prepared and the kinetics of release of magnesium ions from the internal to the external water phase was investigated as a function of the formulation and the globule volume fraction. All the emulsions were formulated using the same surface-active species (polyglycerol polyricinoleate and sodium caseinate). Also, the internal droplet and oil globule diameters were almost identical for all the systems. Two types of W/O/W emulsions were prepared based either on a synthetic oil (miglyol) or on an edible oil (olive oil). The globule volume fraction varied from 11% to 72%. At constant temperature (T=25 degrees C) and irrespective of the oil type, the percentage of magnesium released was lowered by increasing the globule fraction. In all cases, magnesium leakage occurred without film rupturing (no coalescence). Thus, the experimental data were interpreted within the frame of a model based on diffusion. The rate of release was determined by the permeation coefficient of magnesium across the oil phase and by the binding (chelation) of magnesium by caseinate molecules. The data could be adequately fitted by considering a time-dependant permeation coefficient. The better retention of magnesium at high globule fractions could account for two distinct phenomena: (i) the reduction of the relative volume of the outer phase, and (ii) the attenuation of the permeation coefficient over time induced by interfacial magnesium binding, all the more important than the globule fraction increased. Copyright 2010 Elsevier B.V. All rights reserved.

Structural Transformation of Diblock Copolymer/Homopolymer Assemblies by Tuning Cylindrical Confinement and Interfacial Interactions.

PubMed

Xu, Jiangping; Wang, Ke; Liang, Ruijing; Yang, Yi; Zhou, Huamin; Xie, Xiaolin; Zhu, Jintao

2015-11-17

In this study, we report the controllable structural transformation of block copolymer/homopolymer binary blends in cylindrical nanopores. Polystyrene-b-poly(4-vinylpyridine)/homopolystyrene (SVP/hPS) nanorods (NRs) can be fabricated by pouring the polymers into an anodic aluminum oxide (AAO) channel and isolated by selective removal of the AAO membrane. In this two-dimensional (2D) confinement, SVP self-assembles into NRs with concentric lamellar structure, and the internal structure can be tailored with the addition of hPS. We show that the weight fraction and molecular weight of hPS and the diameter of the channels can significantly affect the internal structure of the NRs. Moreover, mesoporous materials with tunable pore shape, size, and packing style can be prepared by selective solvent swelling of the structured NRs. In addition, these NRs can transform into spherical structures through solvent-absorption annealing, triggering the conversion from 2D to 3D confinement. More importantly, the transformation dynamics can be tuned by varying the preference property of surfactant to the polymers. It is proven that the shape and internal structure of the polymer particles are dominated by the interfacial interactions governed by the surfactants.

Constituent Effects on the Stress-Strain Behavior of Woven Melt-Infiltrated SiC Composites

NASA Technical Reports Server (NTRS)

Morscher, Gregory N.; Eldridge, Jeff I.; Levine, Stanley (Technical Monitor)

2001-01-01

The stress-strain behavior of 2D woven SiC fiber reinforced, melt-infiltrated SiC matrix composites with BN interphases were studied for composites fabricated with different fiber tow ends per unit length, different composite thickness, and different numbers of plies. In general, the stress-strain behavior, i.e., the 'knee' in the curve and the final slope of the stress-strain curve, was controlled by the volume fraction of fibers. Some of the composites exhibited debonding and sliding in between the interphase and the matrix rather than the more common debonding and sliding interface between the fiber and the interphase. Composites that exhibited this 'outside debonding' interface, in general, had lower elastic moduli and higher ultimate strains as well as longer pull-out lengths compared to the 'inside debonding' interface composites. Stress-strain curves were modeled where matrix crack formation as a function of stress was approximated from the acoustic emission activity and the measured crack density from the failed specimens. Interfacial shear strength measurements from individual fiber push-in tests were in good agreement with the interfacial shear strength values used to model the stress-strain curves.

Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

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

Lei, Yinkai; Cheng, Tian -Le; Wen, You -Hai

Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration ofmore » the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. Furthermore, the effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fraction of the electrode phase.« less

Phase field modeling of microstructure evolution and concomitant effective conductivity change in solid oxide fuel cell electrodes

DOE PAGES

Lei, Yinkai; Cheng, Tian -Le; Wen, You -Hai

2017-02-13

Microstructure evolution plays an important role in the performance degradation of SOFC electrodes. In this work, we propose a much improved phase field model to simulate the microstructure evolution in the electrodes of solid oxide fuel cell. We demonstrate that the tunability of the interfacial energy in this model has been significantly enhanced. Parameters are set to fit for the interfacial energies of a typical Ni-YSZ anode, an LSM-YSZ cathode and an artificial reference electrode, respectively. The contact angles at various triple junctions and the microstructure evolutions in two dimensions are calibrated to verify the model. As a demonstration ofmore » the capabilities of the model, three dimensional microstructure evolutions are simulated applying the model to the three different electrodes. The time evolutions of grain size and triple phase boundary density are analyzed. In addition, a recently proposed bound charge successive approximation algorithm is employed to calculate the effective conductivity of the electrodes during microstructure evolution. Furthermore, the effective conductivity of all electrodes are found to decrease during the microstructure evolution, which is attributed to the increased tortuosity and the loss of percolated volume fraction of the electrode phase.« less

BULK AND FILM CONTRIBUTIONS TO FLUID/FLUID INTERFACIAL AREA IN GRANULAR MEDIA. (R827116)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

Spruce galactoglucomannans inhibit the lipid oxidation in rapeseed oil-in-water emulsions

USDA-ARS?s Scientific Manuscript database

Oil-in-water emulsions are functional and industrially valuable systems, whose large interfacial area makes them prone to deterioration, due in part to as the oxidation and oligomerization of polyunsaturated fatty acids. Spruce galactoglucomannans (GGM), wood biomacromolecules abundantly available f...

Finite Element Modeling of Laminated Composite Plates with Locally Delaminated Interface Subjected to Impact Loading

PubMed Central

Abo Sabah, Saddam Hussein; Kueh, Ahmad Beng Hong

2014-01-01

This paper investigates the effects of localized interface progressive delamination on the behavior of two-layer laminated composite plates when subjected to low velocity impact loading for various fiber orientations. By means of finite element approach, the laminae stiffnesses are constructed independently from their interface, where a well-defined virtually zero-thickness interface element is discreetly adopted for delamination simulation. The present model has the advantage of simulating a localized interfacial condition at arbitrary locations, for various degeneration areas and intensities, under the influence of numerous boundary conditions since the interfacial description is expressed discretely. In comparison, the model shows good agreement with existing results from the literature when modeled in a perfectly bonded state. It is found that as the local delamination area increases, so does the magnitude of the maximum displacement history. Also, as top and bottom fiber orientations deviation increases, both central deflection and energy absorption increase although the relative maximum displacement correspondingly decreases when in contrast to the laminates perfectly bonded state. PMID:24696668

Finite element modeling of laminated composite plates with locally delaminated interface subjected to impact loading.

PubMed

Abo Sabah, Saddam Hussein; Kueh, Ahmad Beng Hong

2014-01-01

This paper investigates the effects of localized interface progressive delamination on the behavior of two-layer laminated composite plates when subjected to low velocity impact loading for various fiber orientations. By means of finite element approach, the laminae stiffnesses are constructed independently from their interface, where a well-defined virtually zero-thickness interface element is discreetly adopted for delamination simulation. The present model has the advantage of simulating a localized interfacial condition at arbitrary locations, for various degeneration areas and intensities, under the influence of numerous boundary conditions since the interfacial description is expressed discretely. In comparison, the model shows good agreement with existing results from the literature when modeled in a perfectly bonded state. It is found that as the local delamination area increases, so does the magnitude of the maximum displacement history. Also, as top and bottom fiber orientations deviation increases, both central deflection and energy absorption increase although the relative maximum displacement correspondingly decreases when in contrast to the laminates perfectly bonded state.

Evaporation of Liquid Droplet in Nano and Micro Scales from Statistical Rate Theory.

PubMed

Duan, Fei; He, Bin; Wei, Tao

2015-04-01

The statistical rate theory (SRT) is applied to predict the average evaporation flux of liquid droplet after the approach is validated in the sessile droplet experiments of the water and heavy water. The steady-state experiments show a temperature discontinuity at the evaporating interface. The average evaporation flux is evaluated by individually changing the measurement at a liquid-vapor interface, including the interfacial liquid temperature, the interfacial vapor temperature, the vapor-phase pressure, and the droplet size. The parameter study shows that a higher temperature jump would reduce the average evaporation flux. The average evaporation flux can significantly be influenced by the interfacial liquid temperature and the vapor-phase pressure. The variation can switch the evaporation into condensation. The evaporation flux is found to remain relative constant if the droplet is larger than a micro scale, while the smaller diameters in nano scale can produce a much higher evaporation flux. In addition, a smaller diameter of droplets with the same liquid volume has a larger surface area. It is suggested that the evaporation rate increases dramatically as the droplet shrinks into nano size.

Unexpected finite size effects in interfacial systems: Why bigger is not always better—Increase in uncertainty of surface tension with bulk phase width

NASA Astrophysics Data System (ADS)

Longford, Francis G. J.; Essex, Jonathan W.; Skylaris, Chris-Kriton; Frey, Jeremy G.

2018-06-01

We present an unexpected finite size effect affecting interfacial molecular simulations that is proportional to the width-to-surface-area ratio of the bulk phase Ll/A. This finite size effect has a significant impact on the variance of surface tension values calculated using the virial summation method. A theoretical derivation of the origin of the effect is proposed, giving a new insight into the importance of optimising system dimensions in interfacial simulations. We demonstrate the consequences of this finite size effect via a new way to estimate the surface energetic and entropic properties of simulated air-liquid interfaces. Our method is based on macroscopic thermodynamic theory and involves comparing the internal energies of systems with varying dimensions. We present the testing of these methods using simulations of the TIP4P/2005 water forcefield and a Lennard-Jones fluid model of argon. Finally, we provide suggestions of additional situations, in which this finite size effect is expected to be significant, as well as possible ways to avoid its impact.

V-ONSET: Introducing turbulent multiphase flow facility focusing on Lagrangian interfacial transfer dynamics

NASA Astrophysics Data System (ADS)

Salibindla, Ashwanth; Masuk, Ashik Ullah Mohammad; Ni, Rui

2017-11-01

We have designed and constructed a new vertical water tunnel, V-ONSET, to investigate interfacial mass, momentum and energy transfer between two phases in a Lagrangian frame. This system features an independent control of mean flow and turbulence level. The mean flow opposes the rising/falling velocity of the second phase, ``suspending'' the particles and increasing tracking time in the view area. Strong turbulence is generated by shooting 88 digitally-controlled water jets into the test section. The second phase, either bubbles or oil droplets, can be introduced into the test section through a capillary island. In addition to this flow control system, V-ONSET comes with a 3D two-phase visualization system, consisting of high-speed cameras, two-colored LED system, and in-house Lagrangian particle tracking algorithm. This enables us to acquire the Lagrangian evolution of both phases and the interfacial transfer dynamics in between, paving the way for new closure models for two-phase simulations. Financial support for this project was provided by National Science Foundation under Grant Number: 1653389 and 1705246.

The study of the thermal behavior of a new semicrystalline polyimide

NASA Technical Reports Server (NTRS)

Cheng, Stephen Z. D.; Chalmers, Tammy M.

1992-01-01

Thermal properties of a new semicrystalline polyimide synthesized from 3,3',4,4' benzophenone tetracarboxylic dianhydride (BTDA) and 2,2 dimethyl 1,2-(4 aminophenoxy) propane (DMDA) were studied. Heat capacities in the solid and liquid states of BTDA-DMDA were measured. The heat capacity increase at the glass transition temperature (T sub g = 230 C) is 145 J/(C mol) for amorphous BTDA-DMDA. The equilibrium heat of fusion of the BTDA-DMDA crystals was obtained using wide angle X ray diffraction and differential scanning calorimetry measurements, and it is 75.8 kJ/mol. Based on the information of crystallinity and the heat capacity increase at T sub g, a rigid amorphous fraction is identified in semicrystalline BTDA-DMDA samples. The rigid amorphous fraction represents an interfacial region between the crystalline and amorphous states. In particular, this fraction increases with the crystallinity of the sample which should be associated with crystal sizes, and therefore, with crystal morphology. It was also found that this polymer has a high temperature crystal phase upon annealing above its original melting temperature. The thermal degradation activation energies are determined to be 154 and 150 kJ/mol in nitrogen and air, respectively.

Reduction of the potential energy barrier and resistance at wafer-bonded n-GaAs/n-GaAs interfaces by sulfur passivation

NASA Astrophysics Data System (ADS)

Jackson, Michael J.; Jackson, Biyun L.; Goorsky, Mark S.

2011-11-01

Sulfur passivation and subsequent wafer-bonding treatments are demonstrated for III-V semiconductor applications using GaAs-GaAs direct wafer-bonded structures. Two different sulfur passivation processes are addressed. A dry sulfur passivation method that utilizes elemental sulfur vapor activated by ultraviolet light in vacuum is compared with aqueous sulfide and native-oxide-etch treatments. The electrical conductivity across a sulfur-treated 400 - °C-bonded n-GaAs/n-GaAs interface significantly increased with a short anneal (1-2 min) at elevated temperatures (500-600 °C). Interfaces treated with the NH4OH oxide etch, on the other hand, exhibited only mild improvement in accordance with previously published studies in this area. TEM and STEM images revealed similar interfacial microstructure changes with annealing for both sulfur-treated and NH4OH interfaces, whereby some areas have direct semiconductor-semiconductor contact without any interfacial layer. Fitting the observed temperature dependence of zero-bias conductance using a model for tunneling through a grain boundary reveals that the addition of sulfur at the interface lowered the interfacial energy barrier by 0.2 eV. The interface resistance for these sulfur-treated structures is 0.03 Ω.cm at room temperature. These results emphasize that sulfur-passivation techniques reduce interface states that otherwise limit the implementation of wafer bonding for high-efficiency solar cells and other devices.

Halide perovskite solar cells using monocrystalline TiO2 nanorod arrays as electron transport layers: impact of nanorod morphology

NASA Astrophysics Data System (ADS)

Thakur, Ujwal Kumar; Askar, Abdelrahman M.; Kisslinger, Ryan; Wiltshire, Benjamin D.; Kar, Piyush; Shankar, Karthik

2017-07-01

This is the first report of a 17.6% champion efficiency solar cell architecture comprising monocrystalline TiO2 nanorods (TNRs) coupled with perovskite, and formed using facile solution processing without non-routine surface conditioning. Vertically oriented TNR ensembles are desirable as electron transporting layers (ETLs) in halide perovskite solar cells (HPSCs) because of potential advantages such as vectorial electron percolation pathways to balance the longer hole diffusion lengths in certain halide perovskite semiconductors, ease of incorporating nanophotonic enhancements, and optimization between a high contact surface area for charge transfer (good) versus high interfacial recombination (bad). These advantages arise from the tunable morphology of hydrothermally grown rutile TNRs, which is a strong function of the growth conditions. Fluorescence lifetime imaging microscopy of the HPSCs demonstrated a stronger quenching of the perovskite PL when using TNRs as compared to mesoporous/compact TiO2 thin films. Due to increased interfacial contact area between the ETL and perovskite with easier pore filling, charge separation efficiency is dramatically enhanced. Additionally, solid-state impedance spectroscopy results strongly suggested the suppression of interfacial charge recombination between TNRs and perovskite layer, compared to other ETLs. The optimal ETL morphology in this study was found to consist of an array of TNRs ∼300 nm in length and ∼40 nm in width. This work highlights the potential of TNR ETLs to achieve high performance solution-processed HPSCs.

Improving Attachments of Non-Invasive (Type III) Electronic Data Loggers to Cetaceans

DTIC Science & Technology

2011-09-30

Micro texturing of the suction cup to reduced leakage: Objective: Use microtexturing to create a superhydrophobic barrier between the lip and the...surface area of a solid, thereby amplifying the natural hydrophobicity of a surface. Superhydrophobicity is created by interfacial tension forces that

INFLUENCE OF WETTABILITY AND SATURATION ON LIQUID-LIQUID INTERFACIAL AREA IN POROUS MEDIA. (R827116)

EPA Science Inventory

The perspectives, information and conclusions conveyed in research project abstracts, progress reports, final reports, journal abstracts and journal publications convey the viewpoints of the principal investigator and may not represent the views and policies of ORD and EPA. Concl...

Do uniform tangential interfacial stresses enhance adhesion?

NASA Astrophysics Data System (ADS)

Menga, Nicola; Carbone, Giuseppe; Dini, Daniele

2018-03-01

We present theoretical arguments, based on linear elasticity and thermodynamics, to show that interfacial tangential stresses in sliding adhesive soft contacts may lead to a significant increase of the effective energy of adhesion. A sizable expansion of the contact area is predicted in conditions corresponding to such scenario. These results are easily explained and are valid under the assumptions that: (i) sliding at the interface does not lead to any loss of adhesive interaction and (ii) spatial fluctuations of frictional stresses can be considered negligible. Our results are seemingly supported by existing experiments, and show that frictional stresses may lead to an increase of the effective energy of adhesion depending on which conditions are established at the interface of contacting bodies in the presence of adhesive forces.

Controlling Emergent Ferromagnetism at Complex Oxide Interfaces

NASA Astrophysics Data System (ADS)

Grutter, Alexander

The emergence of complex magnetic ground states at ABO3 perovskite heterostructure interfaces is among the most promising routes towards highly tunable nanoscale materials for spintronic device applications. Despite recent progress, isolating and controlling the underlying mechanisms behind these emergent properties remains a highly challenging materials physics problems. In particular, generating and tuning ferromagnetism localized at the interface of two non-ferromagnetic materials is of fundamental and technological interest. An ideal model system in which to study such effects is the CaRuO3/CaMnO3 interface, where the constituent materials are paramagnetic and antiferromagnetic in the bulk, respectively. Due to small fractional charge transfer to the CaMnO3 (0.07 e-/Mn) from the CaRuO3, the interfacial Mn ions are in a canted antiferromagnetic state. The delicate balance between antiferromagnetic superexchange and ferromagnetic double exchange results in a magnetic ground state which is extremely sensitive to perturbations. We exploit this sensitivity to achieve control of the magnetic interface, tipping the balance between ferromagnetic and antiferromagnetic interactions through octahedral connectivity modification. Such connectivity effects are typically tightly confined to interfaces, but by targeting a purely interfacial emergent magnetic system, we achieve drastic alterations to the magnetic ground state. These results demonstrate the extreme sensitivity of the magnetic state to the magnitude of the charge transfer, suggesting the potential for direct electric field control. We achieve such electric field control through direct back gating of a CaRuO3/CaMnO3 bilayer. Thus, the CaRuO3/CaMnO3 system provides new insight into how charge transfer, interfacial symmetry, and electric fields may be used to control ferromagnetism at the atomic scale.

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.

Determination of Hamaker constants of polymeric nanoparticles in organic solvents by asymmetrical flow field-flow fractionation.

PubMed

Noskov, Sergey; Scherer, Christian; Maskos, Michael

2013-01-25

Interaction forces between all objects are either of repulsive or attractive nature. Concerning attractive interactions, the determination of dispersion forces are of special interest since they appear in all colloidal systems and have a crucial influence on the properties and processes in these systems. One possibility to link theory and experiment is the description of the London-Van der Waals forces in terms of the Hamaker constant, which leads to the challenging problem of calculating the van der Waals interaction energies between colloidal particles. Hence, the determination of a Hamaker constant for a given material is needed when interfacial phenomena such as adhesion are discussed in terms of the total potential energy between particles and substrates. In this work, the asymmetrical flow field-flow fractionation (AF-FFF) in combination with a Newton algorithm based iteration process was used for the determination of Hamaker constants of different nanoparticles in toluene. Copyright © 2012 Elsevier B.V. All rights reserved.

Quantitative analysis of liquid penetration kinetics and slaking of aggregates as related to solid-liquid interfacial properties

NASA Astrophysics Data System (ADS)

Goebel, Marc-O.; Woche, Susanne K.; Bachmann, Jörg

2012-06-01

SummaryAggregate stability is frequently shown to be enhanced by strong soil water repellency, however, there is limited systematic evidence on this effect for moderately (subcritically) water repellent soils. This study aimed to investigate the specific effects of interfacial properties on the liquid penetration kinetics in relation to the stability of subcritically water repellent aggregates (4-6.3 mm) from various arable and forest soils against breakdown by slaking. In contrast to many other studies, where aggregate stability was determined by wet sieving, we here assessed the stability by immersion of air-dry aggregates in water-ethanol solutions with surface tensions ranging from 30 to 70 mN m-1. This approach allowed a highly sensitive discrimination of different stability levels and the determination of breakdown kinetics also for less stable aggregates. Interfacial properties were characterized in terms of contact angle measured on crushed aggregates, θc, and calculated for intact aggregates, θi, based on infiltration measurements with water and ethanol. Aggregate stability turned out to be higher in forest soils compared to arable soils with topsoil aggregates generally found to be more stable than subsoil aggregates. For water repellent aggregates, characterized by contact angles >40° and low water infiltration rates (<0.2 mm3 s-0.5), the fraction of disrupted aggregates after 30 s of immersion was generally below 10%, whereas in case of the more wettable aggregates, characterized by contact angles <10° and higher infiltration rates (>0.25 mm3 s-0.5) more than 80% of the aggregates were disrupted. In accordance, we found a close relationship between aggregate stability and wettability with differences between θc and θi being generally small. In addition, aggregate stability turned out to be related to organic carbon content. However, correlation analysis revealed that both persistence of aggregate stability and kinetics of aggregate breakdown were more strongly affected by the contact angle, θc (r = 0.90 and r = -0.83, respectively) and θi (r = 0.89 and r = -0.76, respectively) than the organic carbon content (r = 0.62 and -0.52, respectively), suggesting that stability was primarily controlled by aggregate interfacial properties. Calculation of liquid penetrativity as a function of surface tension and contact angle clearly demonstrated the importance of both solid and liquid interfacial properties in determining the stability of subcritically water repellent aggregates against slaking.

Experimental determination of interfacial tension by different dynamical methods under simple shear flow conditions with a novel computer-controlled parallel band apparatus.

PubMed

Megías-Alguacil, David; Fischer, Peter; Windhab, Erich J

2004-06-15

We present experimental investigations on droplet deformation under simple shear flow conditions, using a computer-controlled parallel band apparatus and an optical device which allows us to record the time dependence of the droplet shape. Several methods are applied to determine the interfacial tension from the observed shape and relaxation mechanism. Specific software developed in our laboratory allows the droplet to be fixed in a certain position for extended times, in fact, indefinite. This is an advantage over most other work done in this area, where only limited time is available. In our experiments, the transient deformation of sheared droplets can be observed to reach the steady state. The measured systems were Newtonian, both droplet and fluid phase. Droplet deformation, orientation angle and retraction were studied and compared to several models. The interfacial tension of the different systems was calculated using the theories of Taylor, Rallison, and Hinch and Acrivos. The results obtained from the analysis of the droplet deformation were in very good agreement with drop detachment experiments of Feigl and co-workers. The study of orientation angle shows qualitative agreement to the theory of Hinch and Acrivos but reveals larger quantitative discrepancies for several empirical fitting parameters of the used model. Analysis of the relaxation of sheared drops provided estimates of the interfacial tension that were in very good agreement with the steady-state measurements.

Fluorinated copper phthalocyanine nanowires for enhancing interfacial electron transport in organic solar cells.

PubMed

Yoon, Seok Min; Lou, Sylvia J; Loser, Stephen; Smith, Jeremy; Chen, Lin X; Facchetti, Antonio; Marks, Tobin J; Marks, Tobin

2012-12-12

Zinc oxide is a promising candidate as an interfacial layer (IFL) in inverted organic photovoltaic (OPV) cells due to the n-type semiconducting properties as well as chemical and environmental stability. Such ZnO layers collect electrons at the transparent electrode, typically indium tin oxide (ITO). However, the significant resistivity of ZnO IFLs and an energetic mismatch between the ZnO and the ITO layers hinder optimum charge collection. Here we report that inserting nanoscopic copper hexadecafluorophthalocyanine (F(16)CuPc) layers, as thin films or nanowires, between the ITO anode and the ZnO IFL increases OPV performance by enhancing interfacial electron transport. In inverted P3HT:PC(61)BM cells, insertion of F(16)CuPc nanowires increases the short circuit current density (J(sc)) versus cells with only ZnO layers, yielding an enhanced power conversion efficiency (PCE) of ∼3.6% vs ∼3.0% for a control without the nanowire layer. Similar effects are observed for inverted PTB7:PC(71)BM cells where the PCE is increased from 8.1% to 8.6%. X-ray scattering, optical, and electrical measurements indicate that the performance enhancement is ascribable to both favorable alignment of the nanowire π-π stacking axes parallel to the photocurrent flow and to the increased interfacial layer-active layer contact area. These findings identify a promising strategy to enhance inverted OPV performance by inserting anisotropic nanostructures with π-π stacking aligned in the photocurrent flow direction.

Viscoelastic Properties of Advanced Polymer Composites for Ballistic Protective Applications

DTIC Science & Technology

1994-09-01

ofthe Damaged Sample 78 Figure 69: Fracture Surface of Damage Area Near the Point of Penetration 79 Figure 70. Closer View ofthe Damaged Area...LIST OF TABLES Table 1. Basic Mechanical Properties of the Materials 6 Table 2. Initial DMA Test Results 23 Table 3. Flexural Three Point Bend... point bend testing was conducted using an Instron 1127 Universal Tester to verify the DMA test method and specimen clamping configuration. Interfacial

Requirements of frictional debonding at fiber/matrix interfaces for tough ceramic composites

NASA Astrophysics Data System (ADS)

Hsueh, Chun-Hway

1992-11-01

Optimum toughening of fiber-reinforced ceramic composites requires debonding at fiber/matrix interfaces and subsequent frictional sliding between the fibers and the matrix as the main crack extends through the composite. Criteria of both interfacial debonding vs fiber fracture, and frictional debonding vs frictionless debonding, are illustrated. To achieve interfacial debonding, the ratio of the fiber strength to the interfacial shear strength must exceed a critical value; to achieve a frictional interface after interfacial debonding, the ratio of the interfacial residual clamping stress to the interfacial shear strength must also exceed a critical value. While interfacial debonding is not sensitive to Poisson's effect, the frictional interface is sensitive to Poisson's effect.

The effect of water-soluble polymers on the microstructure and properties of freeze-cast alumina ceramics

NASA Astrophysics Data System (ADS)

Pekor, Christopher Michael

Porous ceramics can be divided into three separate classes based on their pore size: microporous ceramics with pores less than 2 nm, mesoporous ceramics with pores in the range of 2--50 nm and macroporous ceramics with pores that are greater than 50 nm. In particular, macroporous ceramics are used in a variety of applications such as refractories, molten metal filtration, diesel particulate filters, heterogeneous catalyst supports and biomedical scaffolds. Freeze casting is a novel method used to create macroporous ceramics. In this method growing ice crystals act as a template for the pores and are solidified, often directionally, through a ceramic dispersion and removed from the green body through a freeze drying procedure. This method has attracted some attention over the past few years due to its relative simplicity, flexibility and environmental friendliness. On top of this freeze casting is capable of producing materials with high pore volume fractions, which is an advantage over processing by packing and necking of particles, where the pore volume fraction is typically less than 50%. Many of the basic processing variables that affect the freeze cast microstructure, such as the temperature gradient, interfacial velocity and solid loading of the dispersion have been well established in the literature. On the other hand, areas such as the effect of additives on the microstructure and mechanical properties have not been covered in great detail. In this study the concept of constitutional supercooling from basic solidification theory is used to explain the effects of two water-soluble polymers, polyethylene glycol and polyvinyl alcohol, on the microstructure of freeze cast alumina ceramics. In addition, changes in the observed microstructure will be related to experimentally determined values of permeability and compressive strength.

Li-Ion Localization and Energetics as a Function of Anode Structure.

PubMed

McNutt, Nicholas W; McDonnell, Marshall; Rios, Orlando; Keffer, David J

2017-03-01

In this work, we study the effect of carbon composite anode structure on the localization and energetics of Li-ions. A computational molecular dynamics study is combined with experimental results from neutron scattering experiments to understand the effect of composite density, crystallite size, volume fraction of crystalline carbon, and ion loading on the nature of ion storage in novel, lignin-derived composite materials. In a recent work, we demonstrated that these carbon composites display a fundamentally different mechanism for Li-ion storage than traditional graphitic anodes. The edges of the crystalline and amorphous fragments of aromatic carbon that exist in these composites are terminated by hydrogen atoms, which play a crucial role in adsorption. In this work, we demonstrate how differences in composite structure due to changes in the processing conditions alter the type and extent of the interface between the amorphous and crystalline domains, thus impacting the nature of Li-ion storage. The effects of structural properties are evaluated using a suite of pair distribution functions as well as an original technique to extract archetypal structures, in the form of three-dimensional atomic density distributions, from highly disordered systems. The energetics of Li-ion binding are understood by relating changes in the energy and charge distributions to changes in structural properties. The distribution of Li-ion energies reveals that some structures lead to greater chemisorption, while others have greater physisorption. Carbon composites with a high volume fraction of small crystallites demonstrate the highest ion storage capacity because of the high interfacial area between the crystalline and amorphous domains. At these interfaces, stable H atoms, terminating the graphitic crystallites, provide favorable sites for reversible Li adsorption.

Enhancing Adhesion: Relative Merits of Different Approaches

NASA Technical Reports Server (NTRS)

Penn, L. S.; Pater, R.

1996-01-01

Adhesive performance is improved mainly by manipulation of the bimaterials interface zone, which is only a few molecules thick. There are three approaches to enhancement of interfacial adhesion at the molecular level. They are 1) changing the nonchemically bonded interactions across the interface from weak ones to strong ones, 2) making the true interfacial area much larger than the simple geometric area, and 3) inducing chemical bonding between the two materials forming the interface. Our goal this summer was to question some of the built-in assumptions contained within these approaches and to determine the most promising approach, both theoretically and practically, for enhancing adhesion in NASA structures. Our computations revealed that all three of these approaches have, in theory, the potential to enhance molecular adhesion approximately ten-fold. Experiments, however, revealed that this excellent level of enhancement is not likely to be reached in practice. Each approach was found to be severely limited by practical problems. In addition, some of the built-in assumptions associated with these approaches were found to be insufficient or inadequate. The first approach, changing the nonchemically bonded interactions from weak to strong, Is an example of one containing inadequate assumptions. The extensive literature on intermolecular interactions, based on solution studies, shows that certain functional group pairs interact much more strongly than others. It has always been assumed that these data can be reliably extended to systems where only one member of the pair is in solution and the other Is contained in a solid surface. Our experiments this summer demonstrated that solution data do not adequately predict the strength of functional group interaction at the solid-liquid interface. Furthermore, the strong solvents needed to dissolve the monomers or polymers to which the functional groups of interest are attached compete successfully with the solid surface for the functional group. As a result, functional groups in solution cannot pair with the complementary groups in the solid surface, and the expected enhancement of nonchemically bonded interactions is not realized. The second approach, increasing the true interfacial area, is an example of one containing inadequate assumptions and suffering from numerous practical problems. First, practitioners have assumed that material removal, such as bead blasting or etching, increases true surface area (and therefore interfacial area) in a meaningful way. Our geometric analysis demonstrated that removal methods increase area by a factor of two at most. To increase interfacial area by an order of magnitude or more. a thin layer of high porosity must be added to the substrate surface prior to application of the adhesive phase. Consistent with this finding, we attempted to create a thin layer of rigid, highly porous glass on the surface of our smooth glass substrate by means of sol-gel technology. We were unable to surmount a wide variety of practical problems and obtained only collapsed, nonporous layers. Thus this approach, appealing in principle, would require long term development and is not promising in the near term. The third approach, inducing chemical bonding at the interface, is an example of one having neither inadequate assumptions nor insurmountable practical problems. When silicate glass is the substrate, there are only a few chemical reactions that can be successfully conducted to create these chemical bonds, and these reactions usually involve silicon-containing reagents. We compared the silazane reagents to the silane reagents and found through experiment that the silazanes react with the glass surface much more readily, and under milder conditions, than the silanes. The functional groups attached to the glass surface by silazane reactions were not able to be removed by solvent extraction, elevated temperature exposure, or mechanical action. This clearly indicates that the formation of chemical bonds at the interface is the most effective approach for enhancing molecular adhesion.

The Area Coverage of Geophysical Fields as a Function of Sensor Field-of View

NASA Technical Reports Server (NTRS)

Key, Jeffrey R.

1994-01-01

In many remote sensing studies of geophysical fields such as clouds, land cover, or sea ice characteristics, the fractional area coverage of the field in an image is estimated as the proportion of pixels that have the characteristic of interest (i.e., are part of the field) as determined by some thresholding operation. The effect of sensor field-of-view on this estimate is examined by modeling the unknown distribution of subpixel area fraction with the beta distribution, whose two parameters depend upon the true fractional area coverage, the pixel size, and the spatial structure of the geophysical field. Since it is often not possible to relate digital number, reflectance, or temperature to subpixel area fraction, the statistical models described are used to determine the effect of pixel size and thresholding operations on the estimate of area fraction for hypothetical geophysical fields. Examples are given for simulated cumuliform clouds and linear openings in sea ice, whose spatial structures are described by an exponential autocovariance function. It is shown that the rate and direction of change in total area fraction with changing pixel size depends on the true area fraction, the spatial structure, and the thresholding operation used.

Fluid-fluid interfacial mobility from random walks

NASA Astrophysics Data System (ADS)

Barclay, Paul L.; Lukes, Jennifer R.

2017-12-01

Dual control volume grand canonical molecular dynamics is used to perform the first calculation of fluid-fluid interfacial mobilities. The mobility is calculated from one-dimensional random walks of the interface by relating the diffusion coefficient to the interfacial mobility. Three different calculation methods are employed: one using the interfacial position variance as a function of time, one using the mean-squared interfacial displacement, and one using the time-autocorrelation of the interfacial velocity. The mobility is calculated for two liquid-liquid interfaces and one liquid-vapor interface to examine the robustness of the methods. Excellent agreement between the three calculation methods is shown for all the three interfaces, indicating that any of them could be used to calculate the interfacial mobility.

Effect of electrolytes on bubble coalescence in columns observed with visualization techniques.

PubMed

Aguilera, María Eugenia; Ojeda, Antonieta; Rondón, Carolina; López De Ramos, Aura

2002-10-01

Bubble coalescence and the effect of electrolytes on this phenomenon have been previously studied. This interfacial phenomenon has attracted attention for reactor design/operation and enhanced oil recovery. Predicting bubble coalescence may help prevent low yields in reactors and predict crude oil recovery. Because of the importance of bubble coalescence, the objectives of this work were to improve the accuracy of measuring the percentage of coalescing bubbles and to observe the interfacial gas-liquid behavior. An experimental setup was designed and constructed. Bubble interactions were monitored with a visualization setup. The percentage of air bubble coalescence was 100% in distilled water, about 50% in 0.1 M sodium chloride (NaCl) aqueous solution, and 0% in 0.145 M NaCl aqueous solution. A reduction of the contact gas-liquid area was observed in distillate water. The volume of the resulting bubble was the sum of the original bubble volumes. Repulsion of bubbles was observed in NaCl solutions exceeding 0.07 M. The percentage of bubble coalescence diminishes as the concentration of NaCl chloride increases. High-speed video recording is an accurate technique to measure the percentage of bubble coalescence, and represents an important advance in gas-liquid interfacial studies.

Delayed Alumina Scale Spallation on Rene'n5+y: Moisture Effects and Acoustic Emission

NASA Technical Reports Server (NTRS)

Smialek, James L.; Morscher, Gregory N.

2001-01-01

The single crystal superalloy Rene'N5 (with or without Y-doping and hydrogen annealing) was cyclically oxidized at 1150 C for 1000 hours. After considerable scale growth (>= 500 hours), even the adherent alumina scales formed on Y-doped samples exhibited delayed interfacial spallation during subsequent water immersion tests, performed up to one year after oxidation. Spallation was characterized by weight loss, the amount of spalled area, and acoustic emission response. Hydrogen annealing (prior to oxidation) reduced spallation both before and after immersion, but without measurably reducing the bulk sulfur content of the Y-doped alloys. The duration and frequency of sequential, co-located acoustic emission events implied an interfacial crack growth rate at least 10(exp -3) m/s, but possibly higher than 10(exp 2) m/s. This is much greater than classic moisture-assisted slow crack growth rates in bulk alumina (10(exp -6) to 10(exp -3) m/s), which may still have occurred undetected by acoustic emission. An alternative failure sequence is proposed: an incubation process for preferential moisture ingress leads to a local decrease in interfacial toughness, thus allowing fast fracture driven by stored strain energy.

Nanoporous Mo2C functionalized 3D carbon architecture anode for boosting flavins mediated interfacial bioelectrocatalysis in microbial fuel cells

NASA Astrophysics Data System (ADS)

Zou, Long; Lu, Zhisong; Huang, Yunhong; Long, Zhong-er; Qiao, Yan

2017-08-01

An efficient microbial electrocatalysis in microbial fuel cells (MFCs) needs both high loading of microbes (biocatalysts) and robust interfacial electron transfer from microbes to electrode. Herein a nanoporous molybdenum carbide (Mo2C) functionalized carbon felt electrode with rich 3D hierarchical porous architecture is applied as MFC anode to achieve superior electrocatalytic performance. The nanoporous Mo2C functionalized anode exhibits strikingly improved microbial electrocatalysis in MFCs with 5-fold higher power density and long-term stability of electricity production. The great enhancement is attributed to the introduction of rough Mo2C nanostructural interface into macroporous carbon architecture for promoting microbial growth with great excretion of endogenous electron shuttles (flavins) and rich available nanopores for enlarging electrochemically active surface area. Importantly, the nanoporous Mo2C functionalized anode is revealed for the first time to have unique electrocatalytic activity towards redox reaction of flavins with more negative redox potential, indicating a more favourable thermodynamic driving force for anodic electron transfer. This work not only provides a promising electrode for high performance MFCs but also brings up a new insight into the effect of nanostructured materials on interfacial bioelectrocatalysis.

Effect of surface microstructure on electrochemical performance of garnet solid electrolytes.

PubMed

Cheng, Lei; Chen, Wei; Kunz, Martin; Persson, Kristin; Tamura, Nobumichi; Chen, Guoying; Doeff, Marca

2015-01-28

Cubic garnet phases based on Al-substituted Li7La3Zr2O12 (LLZO) have high ionic conductivities and exhibit good stability versus metallic lithium, making them of particular interest for use in next-generation rechargeable battery systems. However, high interfacial impedances have precluded their successful utilization in such devices until the present. Careful engineering of the surface microstructure, especially the grain boundaries, is critical to achieving low interfacial resistances and enabling long-term stable cycling with lithium metal. This study presents the fabrication of LLZO heterostructured solid electrolytes, which allowed direct correlation of surface microstructure with the electrochemical characteristics of the interface. Grain orientations and grain boundary distributions of samples with differing microstructures were mapped using high-resolution synchrotron polychromatic X-ray Laue microdiffraction. The electrochemical characteristics are strongly dependent upon surface microstructure, with small grained samples exhibiting much lower interfacial resistances and better cycling behavior than those with larger grain sizes. Low area specific resistances of 37 Ω cm(2) were achieved; low enough to ensure stable cycling with minimal polarization losses, thus removing a significant obstacle toward practical implementation of solid electrolytes in high energy density batteries.

Interfacial thermal resistance and thermal rectification in carbon nanotube film-copper systems.

PubMed

Duan, Zheng; Liu, Danyang; Zhang, Guang; Li, Qingwei; Liu, Changhong; Fan, Shoushan

2017-03-02

Thermal rectification occurring at interfaces is an important research area, which contains deep fundamental physics and has extensive application prospects. In general, the measurement of interfacial thermal rectification is based on measuring interfacial thermal resistance (ITR). However, ITRs measured via conventional methods cannot avoid extra thermal resistance asymmetry due to the contact between the sample and the thermometer. In this study, we employed a non-contact infrared thermal imager to monitor the temperature of super-aligned carbon nanotube (CNT) films and obtain the ITRs between the CNT films and copper. The ITRs along the CNT-copper direction and the reverse direction are in the ranges of 2.2-3.6 cm 2 K W -1 and 9.6-11.9 cm 2 K W -1 , respectively. The obvious difference in the ITRs of the two directions shows a significant thermal rectification effect, and the rectifying coefficient ranges between 0.57 and 0.68. The remarkable rectification factor is extremely promising for the manufacture of thermal transistors with a copper/CNT/copper structure and further thermal logic devices. Moreover, our method could be extended to other 2-dimensional materials, such as graphene and MoS 2 , for further explorations.

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.

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.

Interfacial reaction of intermetallic compounds of ultrasonic-assisted brazed joints between dissimilar alloys of Ti6Al4V and Al4Cu1Mg.

PubMed

Ma, Zhipeng; Zhao, Weiwei; Yan, Jiuchun; Li, Dacheng

2011-09-01

Ultrasonic-assisted brazing of Al4Cu1Mg and Ti6Al4V using Zn-based filler metal (without and with Si) has been investigated. Before brazing, the Ti6Al4V samples were pre-treated by hot-dip aluminizing and ultrasonic dipping in a molten filler metal bath in order to control the formation of intermetallic compounds between the Ti6Al4V samples and the filler metal. The results show that the TiAl(3) phase was formed in the interface between the Ti6Al4V substrate and the aluminized coating. For the Zn-based filler metal without Si, the Ti6Al4V interfacial area of the brazed joint did not change under the effect of the ultrasonic wave, and only consisted of the TiAl(3) phase. For the Zn-based filler metal with Si, the TiAl(3) phase disappeared and a Ti(7)Al(5)Si(12) phase was formed at the interfacial area of the brazed joints under the effect of the ultrasonic wave. Due to the TiAl(3) phase completely changing to a Ti(7)Al(5)Si(12) phase, the morphology of the intermetallic compounds changed from a block-like shape into a lamellar-like structure. The highest shear strength of 138MPa was obtained from the brazed joint free of the block-like TiAl(3) phase. Copyright © 2011 Elsevier B.V. All rights reserved.

High-resolution experiments on chemical oxidation of DNAPL in variable-aperture fractures

NASA Astrophysics Data System (ADS)

Arshadi, Masoud; Rajaram, Harihar; Detwiler, Russell L.; Jones, Trevor

2015-04-01

Chemical oxidation of dense nonaqueous-phase liquids (DNAPLs) by permanganate has emerged as an effective remediation strategy in fractured rock. We present high-resolution experimental investigations in transparent analog variable-aperture fractures to improve understanding of chemical oxidation of residual entrapped trichloroethylene (TCE) in fractures. Four experiments were performed with different permanganate concentrations, flow rates, and initial TCE phase geometry. The initial aperture field and evolving entrapped-phase geometry were quantified for each experiment. The integrated mass transfer rate from the TCE phase for all experiments exhibited three time regimes: an early-time regime with slower mass transfer rates limited by low specific interfacial area; an intermediate-time regime with higher mass transfer rates resulting from breakup of large TCE blobs, which greatly increases specific interfacial area; and a late-time regime with low mass transfer rates due to the deposition of MnO2 precipitates. In two experiments, mass balance analyses suggested that TCE mass removal rates exceeded the maximum upper bound mass removal rates derived by assuming that oxidation and dissolution are the only mechanisms for TCE mass removal. We propose incomplete oxidation by permanganate and TCE solubility enhancement by intermediate reaction products as potential mechanisms to explain this behavior. We also speculate that some intermediate reaction products with surfactant-like properties may play a role in lowering the TCE-water interfacial tension, thus causing breakup of large TCE blobs. Our quantitative experimental measurements will be useful in the context of developing accurate computational models for chemical oxidation of TCE in fractures.

Novel experimental methods for investigating high speed friction of titanium-aluminum-vanadium/tool steel interface and dynamic failure of extrinsically toughened DRA composites

NASA Astrophysics Data System (ADS)

Irfan, Mohammad Abdulaziz

Dynamic deformation, flow, and failure are integral parts of all dynamic processes in materials. Invariably, dynamic failure also involves the relative sliding of one component of the material over the other. Advances in elucidation of these failure mechanisms under high loading rates has been of great interest to scientists working in this area. The need to develop new dynamic mechanical property tests for materials under well characterized and controllable loading conditions has always been a challenge to experimentalists. The current study focuses on the development of two experimental methods to study some aspects of dynamic material response. The first part focuses on the development of a single stage gas gun facility for investigating high-speed metal to metal interfacial friction with applications to high speed machining. During the course of this investigation a gas gun was designed and built capable of accelerating projectiles upto velocities of 1 km/s. Using this gas gun pressure-shear plate impact friction experiments were conducted to simulate conditions similar to high speed machining at the tool-workpiece interface. The impacting plates were fabricated from materials representing the tribo-pair of interest. Accurate measurements of the interfacial tractions, i.e. the normal pressure and the frictional stress at the tribo-pair interface, and the interfacial slip velocity could be made by employing laser interferometry. Normal pressures of the order of 1-2 MPa were generated and slipping velocities of the order of 50 m/s were obtained. In order to illustrate the structure of the constitutive law governing friction, the study included experimental investigation of frictional response to step changes in normal pressure and interfacial shear stress. The results of these experiments indicate that sliding resistance for Ti6Al4V/CH steel interface is much lower than measured under quasi-static sliding conditions. Also the temperature at the interface strongly effects the sliding resistance of the interface. The experimental results deduced from the response of the sliding interface to step changes in normal pressure and the applied shear stress reinforce the importance of including frictional memory in the development of rate dependent state variable friction models. The second part of the thesis presents an investigation into the dynamic deformation and failure of extrinsically toughened DRA composites. Experiments were conducted using the split Hopkinson pressure bar to investigate the deformation and flow behavior under dynamic compression loading. A modified Hopkinson bar apparatus was used to explore the dynamic fracture behavior of three different extrinsically toughened DRA composites. The study was paralleled by systematic exploration of the failure modes in each composite. For all the composites evaluated the dynamic crack propagation characteristics of the composites are observed to be strongly dependent on the volume fraction of the ductile phase reinforcement in the composite, the yield stress of the ductile phase reinforcement, the micro-structural arrangement of the ductile phase reinforcements with respect to the notch, and the impact velocity employed in the particular experiment.

Effects of surface roughening of Nafion 117 on the mechanical and physicochemical properties of ionic polymer-metal composite (IPMC) actuators

NASA Astrophysics Data System (ADS)

Wang, Yanjie; Zhu, Zicai; Liu, Jiayu; Chang, Longfei; Chen, Hualing

2016-08-01

In this paper, the surface of a Nafion membrane was roughened by the sandblasting method, mainly considering the change of sandblasting time and powder size. The roughened surfaces were characterized in terms of their topography from the confocal laser scanning microscope (CLSM) and SEM. The key surface parameters, such as Sa (the arithmetical mean deviation of the specified surface profile), SSA (the surface area ratio before and after roughening) and the area measurement on the histogram from the CLSM images, were extracted and evaluated from the roughened membranes. Also, the detailed change in surface and interfacial electrodes were measured and discussed together with the surface resistance, equivalent modulus, capacitance and performances of IPMC actuators based on the roughened membranes. The results show that a suitable sandblasting condition, resulting in the decrease in the bending stiffness and the increase in the interface area closely related to the capacitance, can effectively increase the electromechanical responses of IPMCs. Although the surface roughening by sandblasting caused a considerable lowering of mechanical strength, it was very effective for enlarging the interfacial area between Nafion membrane and the electrode layers, and for forming a penetrated electrode structure, which facilitated improvement of the surface resistance and capacitance characteristics of IPMCs. In this work, a quantitative relationship was built between the topography of Nafion membrane surface and electromechanical performance of IPMCs by means of sandblasting.

The "trapped fraction" and interfacial jumps of concentration in fission products release from coated fuel particles

NASA Astrophysics Data System (ADS)

Ivanov, A. S.; Rusinkevich, A. A.; Taran, M. D.

2018-01-01

The FP Kinetics computer code [1] designed for calculation of fission products release from HTGR coated fuel particles was modified to allow consideration of chemical bonding, effects of limited solubility and component concentration jumps at interfaces between coating layers. Curves of Cs release from coated particles calculated with the FP Kinetics and PARFUME [2] codes were compared. It has been found that the consideration of concentration jumps at silicon carbide layer interfaces allows giving an explanation of some experimental data on Cs release obtained from post-irradiation heating tests. The need to perform experiments for measurement of solubility limits in coating materials was noted.

Impact of interfacial resistance switching on thermoelectric effect of Nb-doped SrTiO3 single crystalline

NASA Astrophysics Data System (ADS)

Zhang, Peijian; Meng, Yang; Liu, Ziyu; Li, Dong; Su, Tao; Meng, Qingyu; Mao, Qi; Pan, Xinyu; Chen, Dongmin; Zhao, Hongwu

2012-03-01

The thermoelectric properties of the bistable resistance states in Nb doped SrTiO3 single crystal have been investigated. The Seebeck coefficients for both low and high resistance states change linearly with temperature. The three-terminals contrast measurement demonstrates that a large fraction of the voltage drop is applied at the tiny volume near the bottom interface between the electrode and the oxide bulk. Therefore, the metallic oxide bulk plays a dominant role in the temperature dependence of Seebeck coefficients. The thermoelectric properties of new resistance switching (RS) devices with minimized non-RS volume could be exploited for the RS mechanism and novel applications.

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

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.

Membrane microreactors: gas-liquid reactions made easy.

PubMed

Noël, Timothy; Hessel, Volker

2013-03-01

Getting phases together: Membrane microreactors provide new opportunities for gas-liquid reactions. The advantages of this microreactor concept are a large interfacial area, a greater flexibility with regard to flow rates, and the opportunity to immobilize a catalyst on the membrane. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multistep hierarchical self-assembly of chiral nanopore arrays

PubMed Central

Kim, Hanim; Lee, Sunhee; Shin, Tae Joo; Korblova, Eva; Walba, David M.; Clark, Noel A.; Lee, Sang Bok; Yoon, Dong Ki

2014-01-01

A series of simple hierarchical self-assembly steps achieve self-organization from the centimeter to the subnanometer-length scales in the form of square-centimeter arrays of linear nanopores, each one having a single chiral helical nanofilament of large internal surface area and interfacial interactions based on chiral crystalline molecular arrangements. PMID:25246585

Supramolecular Structures with Blood Plasma Proteins, Sugars and Nanosilica

NASA Astrophysics Data System (ADS)

Turov, V. V.; Gun'ko, V. M.; Galagan, N. P.; Rugal, A. A.; Barvinchenko, V. M.; Gorbyk, P. P.

Supramolecular structures with blood plasma proteins (albumin, immunoglobulin and fibrinogen (HPF)), protein/water/silica and protein/water/ silica/sugar (glucose, fructose and saccharose) were studied by NMR, adsorption, IR and UV spectroscopy methods. Hydration parameters, amounts of weakly and strongly bound waters and interfacial energy (γ S) were determined over a wide range of component concentrations. The γ S(C protein,C silica) graphs were used to estimate the energy of protein-protein, protein-surface and particle-particle interactions. It was shown that interfacial energy of self-association (γ as) of protein molecules depends on a type of proteins. A large fraction of water bound to proteins can be displaced by sugars, and the effect of disaccharide (saccharose) was greater than that of monosugars. Changes in the structural parameters of cavities in HPF molecules and complexes with HPF/silica nanoparticles filled by bound water were analysed using NMR-cryoporometry showing that interaction of proteins with silica leads to a significant decrease in the amounts of water bound to both protein and silica surfaces. Bionanocomposites with BSA/nanosilica/sugar can be used to influence states of living cells and tissues after cryopreservation or other treatments. It was shown that interaction of proteins with silica leads to strong decrease in the volume of all types of internal cavities filled by water.

A new method for ultrasound detection of interfacial position in gas-liquid two-phase flow.

PubMed

Coutinho, Fábio Rizental; Ofuchi, César Yutaka; de Arruda, Lúcia Valéria Ramos; Neves, Flávio; Morales, Rigoberto E M

2014-05-22

Ultrasonic measurement techniques for velocity estimation are currently widely used in fluid flow studies and applications. An accurate determination of interfacial position in gas-liquid two-phase flows is still an open problem. The quality of this information directly reflects on the accuracy of void fraction measurement, and it provides a means of discriminating velocity information of both phases. The algorithm known as Velocity Matched Spectrum (VM Spectrum) is a velocity estimator that stands out from other methods by returning a spectrum of velocities for each interrogated volume sample. Interface detection of free-rising bubbles in quiescent liquid presents some difficulties for interface detection due to abrupt changes in interface inclination. In this work a method based on velocity spectrum curve shape is used to generate a spatial-temporal mapping, which, after spatial filtering, yields an accurate contour of the air-water interface. It is shown that the proposed technique yields a RMS error between 1.71 and 3.39 and a probability of detection failure and false detection between 0.89% and 11.9% in determining the spatial-temporal gas-liquid interface position in the flow of free rising bubbles in stagnant liquid. This result is valid for both free path and with transducer emitting through a metallic plate or a Plexiglas pipe.

A New Method for Ultrasound Detection of Interfacial Position in Gas-Liquid Two-Phase Flow

PubMed Central

Coutinho, Fábio Rizental; Ofuchi, César Yutaka; de Arruda, Lúcia Valéria Ramos; Jr., Flávio Neves; Morales, Rigoberto E. M.

2014-01-01

Ultrasonic measurement techniques for velocity estimation are currently widely used in fluid flow studies and applications. An accurate determination of interfacial position in gas-liquid two-phase flows is still an open problem. The quality of this information directly reflects on the accuracy of void fraction measurement, and it provides a means of discriminating velocity information of both phases. The algorithm known as Velocity Matched Spectrum (VM Spectrum) is a velocity estimator that stands out from other methods by returning a spectrum of velocities for each interrogated volume sample. Interface detection of free-rising bubbles in quiescent liquid presents some difficulties for interface detection due to abrupt changes in interface inclination. In this work a method based on velocity spectrum curve shape is used to generate a spatial-temporal mapping, which, after spatial filtering, yields an accurate contour of the air-water interface. It is shown that the proposed technique yields a RMS error between 1.71 and 3.39 and a probability of detection failure and false detection between 0.89% and 11.9% in determining the spatial-temporal gas-liquid interface position in the flow of free rising bubbles in stagnant liquid. This result is valid for both free path and with transducer emitting through a metallic plate or a Plexiglas pipe. PMID:24858961

A coupled ice-ocean model of upwelling in the marginal ice zone

NASA Technical Reports Server (NTRS)

Roed, L. P.; Obrien, J. J.

1983-01-01

A dynamical coupled ice-ocean numerical model for the marginal ice zone (MIZ) is suggested and used to study upwelling dynamics in the MIZ. The nonlinear sea ice model has a variable ice concentration and includes internal ice stress. The model is forced by stresses on the air/ocean and air/ice surfaces. The main coupling between the ice and the ocean is in the form of an interfacial stress on the ice/ocean interface. The ocean model is a linear reduced gravity model. The wind stress exerted by the atmosphere on the ocean is proportional to the fraction of open water, while the interfacial stress ice/ocean is proportional to the concentration of ice. A new mechanism for ice edge upwelling is suggested based on a geostrophic equilibrium solution for the sea ice medium. The upwelling reported in previous models invoking a stationary ice cover is shown to be replaced by a weak downwelling due to the ice motion. Most of the upwelling dynamics can be understood by analysis of the divergence of the across ice edge upper ocean transport. On the basis of numerical model, an analytical model is suggested that reproduces most of the upwelling dynamics of the more complex numerical model.

Estimation of interfacial area in a packed cross-flow cascade with distillation of ethanol-water, methanol-water, and hexane-heptane

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

Velaga, A.

1986-01-01

Packed cross-flow internals consisting of four and ten stages including the samplers for liquid and vapor were fabricated to fit into the existing distillation column. Experiments were conducted using methanol-water, ethanol-water and hexane-heptane binary mixtures. The experimental data were collected for compositions of inlet and exist streams of cross-flow stages. The overall gas phase height transfer units (H/sub og/) were estimated using the experimental data. H/sub og/ values were compared to those of counter current conditions. The individual mass transfer coefficients in the liquid and vapor phases were estimated using the collected experimental data for degree of separation, flow ratesmore » and physical properties of the binary system used. The physical properties were estimated at an average temperature of the specific cross-flow stage. The mass transfer coefficients were evaluated using three different correlations proposed by Shulman. Onda and Hayashi respectively. The interfacial areas were estimated using the evaluated mass transfer coefficients and the experimental data at each stage of the column for different runs and compared.« less

A functional relation for field-scale nonaqueous phase liquid dissolution developed using a pore network model

USGS Publications Warehouse

Dillard, L.A.; Essaid, H.I.; Blunt, M.J.

2001-01-01

A pore network model with cubic chambers and rectangular tubes was used to estimate the nonaqueous phase liquid (NAPL) dissolution rate coefficient, Kdissai, and NAPL/water total specific interfacial area, ai. Kdissai was computed as a function of modified Peclet number (Pe???) for various NAPL saturations (SN) and ai during drainage and imbibition and during dissolution without displacement. The largest contributor to ai was the interfacial area in the water-filled corners of chambers and tubes containing NAPL. When Kdissai was divided by ai, the resulting curves of dissolution coefficient, Kdiss versus Pe??? suggested that an approximate value of Kdiss could be obtained as a weak function of hysteresis or SN. Spatially and temporally variable maps of Kdissai calculated using the network model were used in field-scale simulations of NAPL dissolution. These simulations were compared to simulations using a constant value of Kdissai and the empirical correlation of Powers et al. [Water Resour. Res. 30(2) (1994b) 321]. Overall, a methodology was developed for incorporating pore-scale processes into field-scale prediction of NAPL dissolution. Copyright ?? 2001 .

How deep cells feel: Mean-field Computations and Experiments

NASA Astrophysics Data System (ADS)

Buxboim, Amnon; Sen, Shamik; Discher, Dennis E.

2009-03-01

Most cells in solid tissues exert contractile forces that mechanically couple them to elastic surroundings and that significantly influence cell adhesion, cytoskeletal organization and differentiation. However, strains within the depths of matrices are often unclear and are likely relevant to thin matrices, such as basement membranes, relative to cell size as well as to defining how far cells can ``feel.'' We present experimental results for cell spreading on thin, ligand- coated gels and for prestress in stem cells in relation to gel stiffness. Matrix thickness affects cell spread area, focal adhesions and cytoskeleton organization in stem cells, which we will compare to differentiated cells. We introduce a finite element computation to estimate the elastostatic deformations within the matrix on which a cell is placed. Interfacial strains between cell and matrix show large deviations only when soft matrices are a fraction of cell dimensions, proving consistent with experiments. 3-D cell morphologies that model stem cell-derived neurons, myoblasts, and osteoblasts show that a cylinder-shaped myoblast induces the highest strains, consistent with the prominent contractility of muscle. Groups of such cells show a weak crosstalk via matrix strains only when cells are much closer than a cell-width. Cells thus feel on length scales closer to that of adhesions than on cellular scales.

High Temperature Mechanical Characterization and Analysis of Al2O3 /Al2O3 Composition

NASA Technical Reports Server (NTRS)

Gyekenyesi, John Z.; Jaskowiak, Martha H.

1999-01-01

Sixteen ply unidirectional zirconia coated single crystal Al2O3 fiber reinforced polycrystalline Al2O3 was tested in uniaxial tension at temperatures to 1400 C in air. Fiber volume fractions ranged from 26 to 31%. The matrix has primarily open porosity of approximately 40%. Theories for predicting the Young's modulus, first matrix cracking stress, and ultimate strength were applied and evaluated for suitability in predicting the mechanical behavior of Al2O3/Al2O3 composites. The composite exhibited pseudo tough behavior (increased area under the stress/strain curve relative to monolithic alumina) from 22 to 1400 C. The rule-of-mixtures provides a good estimate of the Young's modulus of the composite using the constituent properties from room temperature to approximately 1200 C for short term static tensile tests in air. The ACK theory provides the best approximation of the first matrix cracking stress while accounting for residual stresses at room temperature. Difficulties in determining the fiber/matrix interfacial shear stress at high temperatures prevented the accurate prediction of the first matrix cracking stress above room temperature. The theory of Cao and Thouless, based on Weibull statistics, gave the best prediction for the composite ultimate tensile strength.

VAPOR-PHASE TRANSPORT OF TRICHLOROETHENE IN AN INTERMEDIATE-SCALE VADOSE-ZONE SYSTEM: RETENTION PROCESSES AND TRACER-BASED PREDICTION

PubMed Central

Costanza-Robinson, Molly S.; Carlson, Tyson D.; Brusseau, Mark L.

2013-01-01

Gas-phase miscible-displacement experiments were conducted using a large weighing lysimeter to evaluate retention processes for volatile organic compounds (VOCs) in water-unsaturated (vadoze-zone) systems, and to test the utility of gas-phase tracers for predicting VOC retardation. Trichloroethene (TCE) served as a model VOC, while trichlorofluoromethane (CFM) and heptane were used as partitioning tracers to independently characterize retention by water and the air-water interface, respectively. Retardation factors for TCE ranged between 1.9 and 3.5, depending on water content. The results indicate that dissolution into the bulk water was the primary retention mechanism for TCE under all conditions studied, contributing approximately two thirds of the total measured retention. Accumulation at the air-water interface comprised a significant fraction of the observed retention for all experiments, with an average contribution of approximately 24%. Sorption to the solid phase contributed approximately 10% to retention. Water contents and air-water interfacial areas estimated based on the CFM and heptane tracer data, respectively, were similar to independently measured values. Retardation factors for TCE predicted using the partitioning-tracer data were in reasonable agreement with the measured values. These results suggest that gas-phase tracer tests hold promise for characterizing the retention and transport of VOCs in the vadose-zone. PMID:23333418

Investigation of Critical Heat Flux in Reduced Gravity Using Photomicrographic Techniques

NASA Technical Reports Server (NTRS)

Mudawar, Issam; Zhang, Hui

2003-01-01

Experiments were performed to examine the effects of body force on flow boiling critical heat flux (CHF). FC-72 was boiled along one wall of a transparent rectangular flow channel that permitted photographic study of the vapor-liquid interface just prior to CHF. High-speed video imaging techniques were used to identify dominant CHF mechanisms corresponding to different flow orientations and liquid velocities. Six different CHF regimes were identified: Wavy Vapor Layer, Pool Boiling, Stratification, Vapor Counterflow, Vapor Stagnation, and Separated Concurrent Vapor Flow. CHF showed significant sensitivity to orientation for flow velocities below 0.2 m/s, where extremely low CHF values where measured, especially with downward-facing heated wall and downflow orientations. High flow velocities dampened the effects of orientation considerably. The CHF data were used to assess the suitability of previous CHF models and correlations. It is shown the Interfacial Lift-off Model is very effective at predicting CHF for high velocities at all orientations. The flooding limit, on the other hand, is useful at estimating CHF at low velocities and for downflow orientations. A new method consisting of three dimensionless criteria is developed for determining the minimum flow velocity required to overcome body force effects on near-saturated flow boiling CHF. Vertical upflow boiling experiments were performed in pursuit of identifying the trigger mechanism for subcooled flow boiling CHF. While virtually all prior studies on flow boiling CHF concern the prediction or measurement of conditions that lead to CHF, this study was focused on events that take place during the CHF transient. High-speed video imaging and photomicrographic techniques were used to record the transient behavior of interfacial features from the last steady-state power level before CHF until the moment of power cut-off following CHF. The video records show the development of a wavy vapor layer which propagates along the heated wall, permitting cooling prior to CHF only in wetting fronts corresponding to the wave troughs. Image analysis software was developed to estimate void fraction from the individual video images. The void fraction records for subcooled flow boiling show the CHF transient is accompanied by gradual lift-off of wetting fronts culminating in some maximum vapor layer mean thickness, following which the vapor layer begins to thin down as the transition to film boiling ensues. This study proves the Interfacial Lift-off Model, which has been validated for near-saturated flow boiling CHF, is equally valid for subcooled conditions.

Interfacial strength development in thermoplastic resins and fiber-reinforced thermoplastic composites

NASA Technical Reports Server (NTRS)

Howes, Jeremy C.; Loos, Alfred C.

1987-01-01

An experimental program to develop test methods to be used to characterize interfacial (autohesive) strength development in polysulfone thermoplastic resin and graphite-polysulfone prepreg during processing is reported. Two test methods were used to examine interfacial strength development in neat resin samples. These included an interfacial tension test and a compact tension (CT) fracture toughness test. The interfacial tensile test proved to be very difficult to perform with a considerable amount of data scatter. Thus, the interfacial test was discarded in favor of the fracture toughness test. Interfacial strength development was observed by measuring the refracture toughness of precracked compact tension specimens that were rehealed at a given temperature and contact time. The measured refracture toughness was correlated with temperature and contact time. Interfacial strength development in graphite-polysulfone unidirectional composites was measured using a double cantilever beam (DCB) interlaminar fracture toughness test. The critical strain energy release rate of refractured composite specimens was measured as a function of healing temperature and contact time.

Interfacial binding of cutinase rather than its catalytic activity determines the steady state interfacial tension during oil drop lipid hydrolysis.

PubMed

Flipsen, J A; van Schaick, M A; Dijkman, R; van der Hijden, H T; Verheij, H M; Egmond, M R

1999-02-01

Hydrolysis of triglycerides by cutinase from Fusarium solani pisi causes in oil drop tensiometer experiments a decrease of the interfacial tension. A series of cutinase variants with amino acid substitutions at its molecular surface yielded different values of the steady state interfacial tension. This tension value poorly correlated with the specific activity as such nor with the total activity (defined as the specific activity multiplied by the amount of enzyme bound) of the cutinase variants. Moreover, it appeared that at activity levels above 15% of that of wild type cutinase the contribution of hydrolysis to the decrease of the tension is saturating. A clear positive correlation was found between the interfacial tension plateau value and the interfacial binding of cutinase, as determined with attenuated total reflection Fourier transformed infrared spectroscopy (ATR-FTIR). These results indicate that the interfacial steady state level is not determined by the rate of hydrolysis, but mainly by the interfacial binding of cutinase.

Effects of carbon fiber surface characteristics on interfacial bonding of epoxy resin composite subjected to hygrothermal treatments

NASA Astrophysics Data System (ADS)

Li, Min; Liu, Hongxin; Gu, Yizhuo; Li, Yanxia; Zhang, Zuoguang

2014-01-01

The changes of interfacial bonding of three types of carbon fibers/epoxy resin composite as well as their corresponding desized carbon fiber composites subjecting to hygrothermal conditions were investigated by means of single fiber fragmentation test. The interfacial fracture energy was obtained to evaluate the interfacial bonding before and after boiling water aging. The surface characteristics of the studied carbon fiber were characterized using X-ray photoelectron spectroscopy. The effects of activated carbon atoms and silicon element at carbon fiber surface on the interfacial hygrothermal resistance were further discussed. The results show that the three carbon fiber composites with the same resin matrix possess different hygrothermal resistances of interface and the interfacial fracture energy after water aging can not recovery to the level of raw dry sample (irreversible changes) for the carbon fiber composites containing silicon. Furthermore, the activated carbon atoms have little impact on the interfacial hygrothermal resistance. The irreversible variations of interfacial bonding and the differences among different carbon fiber composites are attributed to the silicon element on the carbon fiber bodies, which might result in hydrolyzation in boiling water treatment and degrade interfacial hygrothermal resistance.

What Governs Friction of Silicon Oxide in Humid Environment: Contact Area between Solids, Water Meniscus around the Contact, or Water Layer Structure?

PubMed

Chen, Lei; Xiao, Chen; Yu, Bingjun; Kim, Seong H; Qian, Linmao

2017-09-26

In order to understand the interfacial parameters governing the friction force (F t ) between silicon oxide surfaces in humid environment, the sliding speed (v) and relative humidity (RH) dependences of F t were measured for a silica sphere (1 μm radius) sliding on a silicon oxide (SiO x ) surface, using atomic force microscopy (AFM), and analyzed with a mathematical model describing interfacial contacts under a dynamic condition. Generally, F t decreases logarithmically with increasing v to a cutoff value below which its dependence on interfacial chemistry and sliding condition is relatively weak. Above the cutoff value, the logarithmic v dependence could be divided into two regimes: (i) when RH is lower than 50%, F t is a function of both v and RH; (ii) in contrast, at RH ≥ 50%, F t is a function of v only, but not RH. These complicated v and RH dependences were hypothesized to originate from the structure of the water layer adsorbed on the surface and the water meniscus around the annulus of the contact area. This hypothesis was tested by analyzing F t as a function of the water meniscus area (A m ) and volume (V m ) estimated from a thermally activated water-bridge formation model. Surprisingly, it was found that F t varies linearly with V m and correlates poorly with A m at RH < 50%; and then its V m dependence becomes weaker as RH increases above 50%. Comparing the friction data with the attenuated total reflection infrared (ATR-IR) spectroscopy analysis result of the adsorbed water layer, it appeared that the solidlike water layer structure formed on the silica surface plays a critical role in friction at RH < 50% and its contribution diminishes at RH ≥ 50%. These findings give a deeper insight into the role of water condensation in friction of the silicon oxide single asperity contact under ambient conditions.

Defect-mediated phonon dynamics in TaS2 and WSe2

PubMed Central

Cremons, Daniel R.; Plemmons, Dayne A.; Flannigan, David J.

2017-01-01

We report correlative crystallographic and morphological studies of defect-dependent phonon dynamics in single flakes of 1T-TaS2 and 2H-WSe2 using selected-area diffraction and bright-field imaging in an ultrafast electron microscope. In both materials, we observe in-plane speed-of-sound acoustic-phonon wave trains, the dynamics of which (i.e., emergence, propagation, and interference) are strongly dependent upon discrete interfacial features (e.g., vacuum/crystal and crystal/crystal interfaces). In TaS2, we observe cross-propagating in-plane acoustic-phonon wave trains of differing frequencies that undergo coherent interference approximately 200 ps after initial emergence from distinct interfacial regions. With ultrafast bright-field imaging, the properties of the interfering wave trains are observed to correspond to the beat frequency of the individual oscillations, while intensity oscillations of Bragg spots generated from selected areas within the region of interest match well with the real-space dynamics. In WSe2, distinct acoustic-phonon dynamics are observed emanating and propagating away from structurally dissimilar morphological discontinuities (vacuum/crystal interface and crystal terrace), and results of ultrafast selected-area diffraction reveal thickness-dependent phonon frequencies. The overall observed dynamics are well-described using finite element analysis and time-dependent linear-elastic continuum mechanics. PMID:28503630

Strongly coupled Sm0.2Ce0.8O2-Na2CO3 nanocomposite for low temperature solid oxide fuel cells: One-step synthesis and super interfacial proton conduction

NASA Astrophysics Data System (ADS)

Zhang, Guanghong; Li, Wenjian; Huang, Wen; Cao, Zhiqun; Shao, Kang; Li, Fengjiao; Tang, Chaoyun; Li, Cuihua; He, Chuanxin; Zhang, Qianling; Fan, Liangdong

2018-05-01

Highly conductive ceria-carbonate composite represents one type of most promising electrolyte materials for low temperature solid oxide fuel cells (SOFCs). Composites with large oxide-carbonate interface and homogeneous element/phase distribution are desirable to further enhance electrical properties and to study the ionic conduction mechanism. In this work, we report the successful synthesis of element/phase well-distributed, interfacial strongly coupled Sm0.2Ce0.8O2-Na2CO3 (NSDC) nanocomposite with different residual carbonate contents by an in-situ one-pot one-step citric acid-nitrate combustion method. Interestingly, NSDC shows distinct properties over those prepared by conventional methods and improved ionic conductivity. In particular, NSDC9010 nanocomposite displays a proton conductivity of 0.044 S cm-1 at 650 °C, which is 3-5 times higher than the oxide proton conductors. Electrolyte supported SOFCs based on the resultant nanocomposite electrolyte, NSDC9010, give the best power output of 281.5 mW cm-2 at 600 °C with LiNiO2 symmetric electro-catalysts. The excellent ionic conductivity and fuel cell performance are correlated with the unique core-shell structure, good phase distribution and large interfacial area induced by the one-step fabrication method, the strong coupling between oxide and carbonate as verified by the differential thermal and Raman spectroscopy characterization results and the optimal interfacial carbonate layer thickness by intentionally adjusting of carbonate contents.

Surface-bubble-modulated liquid chromatography: a new approach for manipulation of chromatographic retention and investigation of solute distribution at water/hydrophobic interfaces.

PubMed

Nakamura, Keisuke; Nakamura, Hiroki; Saito, Shingo; Shibukawa, Masami

2015-01-20

In this paper, we present a new chromatographic method termed surface-bubble-modulated liquid chromatography (SBMLC), that has a hybrid separation medium incorporated with surface nanobubbles. Nanobubbles or nanoscale gas phases can be fixed at the interface between water and a hydrophobic material by delivering water into a dry column packed with a nanoporous material. The incorporation of a gas phase at the hydrophobic surface leads to the formation of the hybrid separation system consisting of the gas phase, hydrophobic moieties, and the water/hydrophobic interface or the interfacial water. One can change the volume of the gas phase by pressure applied to the column, which in turn alters the area of water/hydrophobic interface or the volume of the interfacial water, while the amount of the hydrophobic moiety remains constant. Therefore, this strategy provides a novel technique not only for manipulating the separation selectivity by pressure but also for elucidating the mechanism of accumulation or retention of solute compounds in aqueous solutions by a hydrophobic material. We evaluate the contributions of the interfacial water at the surface of an octadecyl bonded silica and the bonded layer itself to the retention of various solute compounds in aqueous solutions on the column packed with the material by SBMLC. The results show that the interfacial water formed at the hydrophobic surface has a key role in retention even though its volume is rather small. The manipulation of the separation selectivity of SBMLC for some organic compounds by pressure is demonstrated.

Effect of interfacial SiO2- y layer and defect in HfO2- x film on flat-band voltage of HfO2- x /SiO2- y stacks for backside-illuminated CMOS image sensors

NASA Astrophysics Data System (ADS)

Na, Heedo; Lee, Jimin; Jeong, Juyoung; Kim, Taeho; Sohn, Hyunchul

2018-03-01

In this study, the effect of oxygen gas fraction during deposition of a hafnium oxide (HfO2- x ) film and the influence of the quality of the SiO2- y interlayer on the nature of flat-band voltage ( V fb) in TiN/HfO/SiO2- y /p-Si structures were investigated. X-ray photoemission spectroscopy analysis showed that the non-lattice oxygen peak, indicating an existing oxygen vacancy, increased as the oxygen gas fraction decreased during sputtering. From C- V and J- E analyses, the V fb behavior was significantly affected by the characteristics of the SiO2- y interlayer and the non-lattice oxygen fraction in the HfO2- x films. The HfO2- x /native SiO2- y stack presented a V fb of - 1.01 V for HfO2- x films with an oxygen gas fraction of 5% during sputtering. Additionally, the V fb of the HfO2- x /native SiO2- y stack could be controlled from - 1.01 to - 0.56 V by changing the deposition conditions of the HfO2- x film with the native SiO2- y interlayer. The findings of this study can be useful to fabricate charge-accumulating layers for backside-illuminated image sensor devices.

The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

DOE PAGES

Zhao, Jianlin; Kang, Qinjun; Yao, Jun; ...

2018-02-27

Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. In this study, to investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as themore » water saturation decreases to an intermediate value (about 0.4–0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. Lastly, the relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.« less

The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

NASA Astrophysics Data System (ADS)

Zhao, Jianlin; Kang, Qinjun; Yao, Jun; Viswanathan, Hari; Pawar, Rajesh; Zhang, Lei; Sun, Hai

2018-02-01

Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. To investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as the water saturation decreases to an intermediate value (about 0.4-0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. The relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.

The Effect of Wettability Heterogeneity on Relative Permeability of Two-Phase Flow in Porous Media: A Lattice Boltzmann Study

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

Zhao, Jianlin; Kang, Qinjun; Yao, Jun

Relative permeability is a critical parameter characterizing multiphase flow in porous media and it is strongly dependent on the wettability. In many situations, the porous media are nonuniformly wet. In this study, to investigate the effect of wettability heterogeneity on relative permeability of two-phase flow in porous media, a multi-relaxation-time color-gradient lattice Boltzmann model is adopted to simulate oil/water two-phase flow in porous media with different oil-wet solid fractions. For the water phase, when the water saturation is high, the relative permeability of water increases with the increase of oil-wet solid fraction under a constant water saturation. However, as themore » water saturation decreases to an intermediate value (about 0.4–0.7), the relative permeability of water in fractionally wet porous media could be lower than that in purely water-wet porous media, meaning additional flow resistance exists in the fractionally wet porous media. For the oil phase, similar phenomenon is observed. This phenomenon is mainly caused by the wettability-related microscale fluid distribution. According to both our simulation results and theoretical analysis, it is found that the relative permeability of two-phase flow in porous media is strongly related to three parameters: the fluid saturation, the specific interfacial length of fluid, and the fluid tortuosity in the flow direction. Lastly, the relationship between the relative permeability and these parameters under different capillary numbers is explored in this paper.« less

Perfluorinated surfactants (PFSs) in size-fractionated street dust in Tokyo.

PubMed

Murakami, Michio; Takada, Hideshige

2008-11-01

We investigated perfluorinated surfactants (PFSs) in size-fractionated street dust to identify their occurrence, contributions from traffic, and potential routes of entry into waters. Street dust was collected from residential areas and heavily trafficked areas in Tokyo and sorted into fine (<63 microm) and coarse fractions (63-2000 microm). Five PFS species were analyzed by liquid chromatography-tandem mass spectrometry: perfluorooctanesulfonate (PFOS), perfluorooctanoate (PFOA), perfluorononanoate (PFNA), perfluorodecanoate (PFDA), and perfluoroundecanoate (PFUA). In fine fractions, PFS contents were significantly higher in heavily trafficked street dust than in residential street dust, but in coarse fractions, no significant differences were observed. Additionally, in heavily trafficked areas, PFS contents were significantly higher in fine fractions than in coarse fractions, but in residential areas, no significant differences were observed. PFS compositions differed between size fractions, not locations, indicating differences in sources between size fractions. Fine particles from traffic contributed to PFSs in street dust. Street dust possibly acts as the origin of PFSs in street runoff and eventually enters waters. This is the first report of PFSs in street dust.

Phase-field simulations of coherent precipitate morphologies and coarsening kinetics

NASA Astrophysics Data System (ADS)

Vaithyanathan, Venugopalan

2002-09-01

The primary aim of this research is to enhance the fundamental understanding of coherent precipitation reactions in advanced metallic alloys. The emphasis is on a particular class of precipitation reactions which result in ordered intermetallic precipitates embedded in a disordered matrix. These precipitation reactions underlie the development of high-temperature Ni-base superalloys and ultra-light aluminum alloys. Phase-field approach, which has emerged as the method of choice for modeling microstructure evolution, is employed for this research with the focus on factors that control the precipitate morphologies and coarsening kinetics, such as precipitate volume fractions and lattice mismatch between precipitates and matrix. Two types of alloy systems are considered. The first involves L1 2 ordered precipitates in a disordered cubic matrix, in an attempt to model the gamma' precipitates in Ni-base superalloys and delta' precipitates in Al-Li alloys. The effect of volume fraction on coarsening kinetics of gamma' precipitates was investigated using two-dimensional (2D) computer simulations. With increase in volume fraction, larger fractions of precipitates were found to have smaller aspect ratios in the late stages of coarsening, and the precipitate size distributions became wider and more positively skewed. The most interesting result was associated with the effect of volume fraction on the coarsening rate constant. Coarsening rate constant as a function of volume fraction extracted from the cubic growth law of average half-edge length was found to exhibit three distinct regimes: anomalous behavior or decreasing rate constant with volume fraction at small volume fractions ( ≲ 20%), volume fraction independent or constant behavior for intermediate volume fractions (˜20--50%), and the normal behavior or increasing rate constant with volume fraction for large volume fractions ( ≳ 50%). The second alloy system considered was Al-Cu with the focus on understanding precipitation of metastable tetragonal theta'-Al 2Cu in a cubic Al solid solution matrix. In collaboration with Chris Wolverton at Ford Motor Company, a multiscale model, which involves a novel combination of first-principles atomistic calculations with a mesoscale phase-field microstructure model, was developed. Reliable energetics in the form of bulk free energy, interfacial energy and parameters for calculating the elastic energy were obtained using accurate first-principles calculations. (Abstract shortened by UMI.)

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.

Extracting elastic properties of an atomically thin interfacial layer by time-domain analysis of femtosecond acoustics

NASA Astrophysics Data System (ADS)

Chen, H.-Y.; Huang, Y.-R.; Shih, H.-Y.; Chen, M.-J.; Sheu, J.-K.; Sun, C.-K.

2017-11-01

Modern devices adopting denser designs and complex 3D structures have created much more interfaces than before, where atomically thin interfacial layers could form. However, fundamental information such as the elastic property of the interfacial layers is hard to measure. The elastic property of the interfacial layer is of great importance in both thermal management and nano-engineering of modern devices. Appropriate techniques to probe the elastic properties of interfacial layers as thin as only several atoms are thus critically needed. In this work, we demonstrated the feasibility of utilizing the time-resolved femtosecond acoustics technique to extract the elastic properties and mass density of a 1.85-nm-thick interfacial layer, with the aid of transmission electron microscopy. We believe that this femtosecond acoustics approach will provide a strategy to measure the absolute elastic properties of atomically thin interfacial layers.

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.

Bioactive composites with designed interfaces

NASA Astrophysics Data System (ADS)

Orefice, Rodrigo Lambert

Bioactive glasses can bond to bone and even soft tissue. However, they are usually weak, brittle and hard to process in specific shapes. The goal of this work is to produce polymer composites having bioactive materials as a reinforcing phase that would display both bioactive behavior and mechanical properties compatible to bone. Polysulfone and bioactive glass particulate were combined in composites with different volume fractions. Composites with 40 vol.% of particulate were submitted to in vitro tests in simulated body fluids. The recorded rates of hydroxy-carbonate-apatite layer deposition were close to the ones observed for pure bioactive glasses. Mechanical properties showed values of elastic modulus, strain at failure and strength within the range of cortical bone for composites with high volume fraction of particles. Fibers can usually favor higher levels of reinforcement in composites than particles. Novel multicomponent fibers were prepared by using the sol-gel method. They were determined to be bioactive in vitro and were successfully used as a reinforcing phase in polysulfone composites. Properties of the bioactive composites were modified by altering the chemistry and structure of the interfaces. Polymers with sulfonic acid and silane groups were specially designed to interact with both the silica surface and the polymer matrix. Nano-composites with a structure and chemistry in between the macrocomponents of the composite were prepared by combining a silanated polymer and silica sol-gel. When applied as interfacial agents, these nano-composites as well as the modified polymers improved the overall properties of the bioactive system. A decay in mechanical properties was observed for composites submitted to an in vitro test. The developed interfacial agents successfully reduced the degree of degradation in properties. Interactions occurring at the interfaces of bioactive composites were studied using Atomic Force Microscopy (AFM). The effect of the structure and chemistry of interfaces was correlated to physical and chemical processes occurring at the interfaces and to the overall properties of composites.

Effect of texture randomization on the slip and interfacial robustness in turbulent flows over superhydrophobic surfaces

NASA Astrophysics Data System (ADS)

Seo, Jongmin; Mani, Ali

2018-04-01

Superhydrophobic surfaces demonstrate promising potential for skin friction reduction in naval and hydrodynamic applications. Recent developments of superhydrophobic surfaces aiming for scalable applications use random distribution of roughness, such as spray coating and etched process. However, most previous analyses of the interaction between flows and superhydrophobic surfaces studied periodic geometries that are economically feasible only in laboratory-scale experiments. In order to assess the drag reduction effectiveness as well as interfacial robustness of superhydrophobic surfaces with randomly distributed textures, we conduct direct numerical simulations of turbulent flows over randomly patterned interfaces considering a range of texture widths w+≈4 -26 , and solid fractions ϕs=11 %-25 % . Slip and no-slip boundary conditions are implemented in a pattern, modeling the presence of gas-liquid interfaces and solid elements. Our results indicate that slip of randomly distributed textures under turbulent flows is about 30 % less than those of surfaces with aligned features of the same size. In the small texture size limit w+≈4 , the slip length of the randomly distributed textures in turbulent flows is well described by a previously introduced Stokes flow solution of randomly distributed shear-free holes. By comparing DNS results for patterned slip and no-slip boundary against the corresponding homogenized slip length boundary conditions, we show that turbulent flows over randomly distributed posts can be represented by an isotropic slip length in streamwise and spanwise direction. The average pressure fluctuation on a gas pocket is similar to that of the aligned features with the same texture size and gas fraction, but the maximum interface deformation at the leading edge of the roughness element is about twice as large when the textures are randomly distributed. The presented analyses provide insights on implications of texture randomness on drag reduction performance and robustness of superhydrophobic surfaces.

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.

Interfacial crystalline structures in injection over-molded polypropylene and bond strength.

PubMed

Yan, Bowen; Wu, Hong; Jiang, Genjie; Guo, Shaoyun; Huang, Jian

2010-11-01

This paper describes interfacial crystalline structures found in injection overmolded polypropylene components and the relationship of these structures to bond strength between the components. The combined effects of the development of hierarchical gradient structures and the particular thermomechanical environment near the interface on the interfacial crystalline structures were investigated in detail by PLM, SEM, DSC, WAXD, and infrared dichroism spectroscopy. The experimental results showed that during molding there was competitive formation of interfacial crystalline structures consisted of "shish-kebab" layer (SKL) and a transcrystalline layers (TCL). Variation in shear stress (controlled by injection pressure and injection speed) plays an important role in the formation of the SKL. The formation of TCL is influenced by the thermal environment, namely melt temperature and mold temperature. Increasing within certain limits, interfacial temperature and the thermal gradient near the interface promotes β-iPP growth. The relationship between interfacial crystalline structures and interfacial bond strength was established by lap shear measurement. The interfacial bond strength is improved by enhancing the formation of TCL, but reduced if SKL predominates.

Effect of demulsifiers on interfacial properties governing crude oil demulsification

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

Mukherjee, S.; Kushnick, A.P.

1987-01-01

The purpose of this paper is to illustrate how various parameters such as interfacial tension, interfacial shear viscosity, dynamic interfacial tension gradient, dilational elasticity and demulsifier clustering affect the demulsification effectiveness. The authors believe such an understanding is needed for developing more effective demulsifiers. At small thicknesses, an interfacial oil film can rupture if a continuous hydrophilic pathway exists between the droplets. Such a pathway can be provided by a demulsifier by forming water swollen reverse micelle-like clusters. They believe the differences in the effectiveness between P1 and P2 at low concentrations may be related to this phenomenon. The authorsmore » found that with both P1 and P2, the crude oil-brine interfacial shear viscosity is less than 0.1 surface poise. The interfacial dilational measurements also do not reveal any significant differences in their dynamic tension properties. But the interfacial tension vs. concentration curves show significant differences. The leveling of interfacial tension implies formation of clusters. The data indicate that the demulsifier P1 will form such clusters in the crude oil at a lower concentration than P2. Thus, other parameters being equal, the demulsifier P1 will be more efficient at a lower concentration than P2 for this crude oil emulsion.« less

Shunt attachment and method for interfacing current collection systems

DOEpatents

Denney, P.E.; Iyer, N.C.; Hannan, W.F. III.

1992-12-08

A composite brush to shunt attachment wherein a volatile component of a composite but mostly metallic brush, used for current collection purposes, does not upon welding or brazing, adversely affect the formation of the interfacial bond with a conductive shunt which carries the current from the zone of the brush. The brush to shunt attachment for a brush material of copper-graphite composite and a shunt of copper, or substituting silver for copper as an alternative, is made through a hot isostatic pressing (HIP). The HIP process includes applying high pressure and temperature simultaneously at the brush to shunt interface, after it has been isolated or canned in a metal casing in which the air adjacent to the interface has been evacuated and the interfacial area has been sealed before the application of pressure and temperature. 6 figs.

Shunt attachment and method for interfacing current collection systems

DOEpatents

Denney, Paul E.; Iyer, Natraj C.; Hannan, III, William F.

1992-01-01

A composite brush to shunt attachment wherein a volatile component of a composite but mostly metallic brush, used for current collection purposes, does not upon welding or brazing, adversely affect the formation of the interfacial bond with a conductive shunt which carries the current from the zone of the brush. The brush to shunt attachment for a brush material of copper-graphite composite and a shunt of copper, or substituting silver for copper as an alternative, is made through a hot isostatic pressing (HIP). The HIP process includes applying high pressure and temperature simultaneously at the brush to shunt interface, after it has been isolated or canned in a metal casing in which the air adjacent to the interface has been evacuated and the interfacial area has been sealed before the application of pressure and temperature.

Ultralight mesoporous magnetic frameworks by interfacial assembly of Prussian blue nanocubes.

PubMed

Kong, Biao; Tang, Jing; Wu, Zhangxiong; Wei, Jing; Wu, Hao; Wang, Yongcheng; Zheng, Gengfeng; Zhao, Dongyuan

2014-03-10

A facile approach for the synthesis of ultralight iron oxide hierarchical structures with tailorable macro- and mesoporosity is reported. This method entails the growth of porous Prussian blue (PB) single crystals on the surface of a polyurethane sponge, followed by in situ thermal conversion of PB crystals into three-dimensional mesoporous iron oxide (3DMI) architectures. Compared to previously reported ultralight materials, the 3DMI architectures possess hierarchical macro- and mesoporous frameworks with multiple advantageous features, including high surface area (ca. 117 m(2) g(-1)) and ultralow density (6-11 mg cm(-3)). Furthermore, they can be synthesized on a kilogram scale. More importantly, these 3DMI structures exhibit superparamagnetism and tunable hydrophilicity/hydrophobicity, thus allowing for efficient multiphase interfacial adsorption and fast multiphase catalysis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Effect of Interfacial Bonding on the Strength of Adhesion of Elastomers, I. Self-Adhesion.

DTIC Science & Technology

1981-01-30

Arlingon, VA 22217 Edwards AFB, CA 93523 Attn: Mr. 0. Siegel Attn: Dr. F. Roberto Office of Naval Research 1 AFSC Western Office Andrews AFB, Code DLFP...San Francisco Area Office space Sciences One Hallidie Plaza Suite 601 Bolling Air Force Base San Francisco, CA 94102 Washington, DC 20332 Attn: Or. P. A

Effect of N2 annealing on AlZrO oxide

NASA Astrophysics Data System (ADS)

Pétry, J.; Richard, O.; Vandervorst, W.; Conard, T.; Chen, J.; Cosnier, V.

2003-07-01

In the path to the introduction of high-k dielectric into integrated circuit components, a large number of challenges has to be solved. Subsequent to the film deposition, the high-k film is exposed to additional high-temperature anneals for polycrystalline Si activation but also to improve its own electrical properties. Hence, concerns can be raised regarding the thermal stability of these stacks upon annealing. In this study, we investigated the effect of N2 annealing (700 to 900 °C) of atomic layer chemical vapor deposition AlZrO layers using x-ray photoelectron spectroscopy (XPS), time-of-flight secondary ion mass spectrometry (TOFSIMS), transmission electron microscopy (TEM), and Fourier transform infrared (FTIR) spectroscopy. The effect of the Si surface preparation [H-Si, 0.5 nm rapid thermal oxide (RTO), Al2O3] on the modification of the high-k oxide and the interfacial layer upon annealing was also analyzed. Compositional changes can be observed for all temperature and surface preparations. In particular, we observe a segregation of Al(oxide) toward the surface of the mixed oxide. In addition, an increase of the Si concentration in the high-k film itself can be seen with a diffusion profile extending toward the surface of the film. On the other hand, the modification of the interfacial layer is strongly dependent on the system considered. In the case of mixed oxide grown on 0.5 nm RTO, no differences are observed between the as-deposited layer and the layer annealed at 700 °C. At 800 °C, a radical change occurs: The initial RTO layer seems to be converted into a mixed layer composed of the initial SiO2 and Al2O3 coming from the mixed oxide, however without forming an Al-silicate layer. A similar situation is found for anneals at 900 °C, as well. When grown on 1.5 nm Al2O3 on 0.5 nm RTO, the only difference with the previous system is the observation of an Al-silicate fraction in the interfacial layer for the as-deposited and 700 °C annealed samples, which disappears at higher temperatures. Finally, considering layers deposited on a H-Si surface, we observe a slight increase of the interfacial thickness after annealing at 700 °C and no further changes for a higher annealing temperature.

Ultrafast Recombination Dynamics in Dye-Sensitized SnO2/TiO2 Core/Shell Films.

PubMed

Gish, Melissa K; Lapides, Alexander M; Brennaman, M Kyle; Templeton, Joseph L; Meyer, Thomas J; Papanikolas, John M

2016-12-15

Interfacial dynamics are investigated in SnO 2 /TiO 2 core/shell films derivatized with a Ru(II)-polypyridyl chromophore ([Ru II (bpy) 2 (4,4'-(PO 3 H 2 ) 2 bpy)] 2+ , RuP) using transient absorption methods. Electron injection from the chromophore into the TiO 2 shell occurs within a few picoseconds after photoexcitation. Loss of the oxidized dye through recombination occurs across time scales spanning 10 orders of magnitude. The majority (60%) of charge recombination events occur shortly after injection (τ = 220 ps), while a small fraction (≤20%) of the oxidized chromophores persists for milliseconds. The lifetime of long-lived charge-separated states (CSS) depends exponentially on shell thickness, suggesting that the injected electrons reside in the SnO 2 core and must tunnel through the TiO 2 shell to recombine with oxidized dyes. While the core/shell architecture extends the lifetime in a small fraction of the CSS, making water oxidation possible, the subnanosecond recombination process has profound implications for the overall efficiencies of dye-sensitized photoelectrosynthesis cells (DSPECs).

Production of Nanoemulsions from Palm-Based Tocotrienol Rich Fraction by Microfluidization.

PubMed

Goh, Pik Seah; Ng, Mei Han; Choo, Yuen May; Amru, Nasrulhaq Boyce; Chuah, Cheng Hock

2015-11-05

In the present study, tocotrienol rich fraction (TRF) nanoemulsions were produced as an alternative approach to improve solubility and absorption of tocotrienols. In the present study, droplet size obtained after 10 cycles of homogenization with increasing pressure was found to decrease from 120 to 65.1 nm. Nanoemulsions stabilized with Tween series alone or emulsifier blend Brij 35:Span 80 (0.6:0.4 w/w) homogenized at 25,000 psi and 10 cycles, produced droplet size less than 100 nm and a narrow size distribution with a polydispersity index (PDI) value lower than 0.2. However blend of Tween series with Span 80 produced nanoemulsions with droplet size larger than 200 nm. This work has also demonstrated the amount of tocols losses in TRF nanoemulsion stabilized Tweens alone or emulsifier blend Brij 35:Span 80 (0.6:0.4 w/w) ranged between 3%-25%. This can be attributed to the interfacial film formed surrounding the droplets exhibited different level of oxidative stability against heat and free radicals created during high pressure emulsification.

Effect of stacking sequence on mechanical properties neem wood veneer plastic composites

NASA Astrophysics Data System (ADS)

Nagamadhu, M.; Kumar, G. C. Mohan; Jeyaraj, P.

2018-04-01

This study investigates the effect of wood veneer stacking sequence on mechanical properties of neem wood polymer composite (WPC) experimentally. Wood laminated samples were fabricated by conventional hand layup technique in a mold and cured under pressure at room temperature and then post cured at elevated temperature. Initially, the tensile, flexural, and impact test were conducted to understand the effect of weight fraction of fiber on mechanical properties. The mechanical properties have increased with the weight fraction of fiber. Moreover the stacking sequence of neem wood plays an important role. As it has a significant impact on the mechanical properties. The results indicated that 0°/0° WPC shows highest mechanical properties as compared to other sequences (90°/90°, 0°/90°, 45°/90°, 45°/45°). The Fourier Transform Infrared Spectroscopy (FTIR) Analysis were carried out to identify chemical compounds both in raw neem wood and neem wood epoxy composite. The microstructure raw/neat neem wood and the interfacial bonding characteristics of neem wood composite investigated using Scanning electron microscopy images.

Computational Design of High-χ Block Oligomers for Accessing 1 nm Domains.

PubMed

Chen, Qile P; Barreda, Leonel; Oquendo, Luis E; Hillmyer, Marc A; Lodge, Timothy P; Siepmann, J Ilja

2018-05-22

Molecular dynamics simulations are used to design a series of high-χ block oligomers (HCBOs) that can self-assemble into a variety of mesophases with domain sizes as small as 1 nm. The exploration of these oligomers with various chain lengths, volume fractions, and chain architectures at multiple temperatures reveals the presence of ordered lamellae, perforated lamellae, and hexagonally packed cylinders. The achieved periods are as small as 3.0 and 2.1 nm for lamellae and cylinders, respectively, which correspond to polar domains of approximately 1 nm. Interestingly, the detailed phase behavior of these oligomers is distinct from that of either solvent-free surfactants or block polymers. The simulations reveal that the behavior of these HCBOs is a product of an interplay between both "surfactant factors" (headgroup interactions, chain flexibility, and interfacial curvature) and "block polymer factors" (χ, chain length N, and volume fraction f). This insight promotes the understanding of molecular features pivotal for mesophase formation at the sub-5 nm length scale, which facilitates the design of HCBOs tailored toward particular desired morphologies.

Imaging fluorescence-correlation spectroscopy for measuring fast surface diffusion at liquid/solid interfaces.

PubMed

Cooper, Justin T; Harris, Joel M

2014-08-05

The development of techniques to probe interfacial molecular transport is important for understanding and optimizing surface-based analytical methods including surface-enhanced spectroscopies, biological assays, and chemical separations. Single-molecule-fluorescence imaging and tracking has been used to measure lateral diffusion rates of fluorescent molecules at surfaces, but the technique is limited to the study of slower diffusion, where molecules must remain relatively stationary during acquisition of an image in order to build up sufficient intensity in a spot to detect and localize the molecule. Although faster time resolution can be achieved by fluorescence-correlation spectroscopy (FCS), where intensity fluctuations in a small spot are related to the motions of molecules on the surface, long-lived adsorption events arising from surface inhomogeneity can overwhelm the correlation measurement and mask the surface diffusion of the moving population. Here, we exploit a combination of these two techniques, imaging-FCS, for measurement of fast interfacial transport at a model chromatographic surface. This is accomplished by rapid imaging of the surface using an electron-multiplied-charged-coupled-device (CCD) camera, while limiting the acquisition to a small area on the camera to allow fast framing rates. The total intensity from the sampled region is autocorrelated to determine surface diffusion rates of molecules with millisecond time resolution. The technique allows electronic control over the acquisition region, which can be used to avoid strong adsorption sites and thus minimize their contribution to the measured autocorrelation decay and to vary the acquisition area to resolve surface diffusion from adsorption and desorption kinetics. As proof of concept, imaging-FCS was used to measure surface diffusion rates, interfacial populations, and adsorption-desorption rates of 1,1'-dioctadecyl-3,3,3'3'-tetramethylindocarbocyanine (DiI) on planar C18- and C1-modified surfaces.

GaN as an interfacial passivation layer: tuning band offset and removing fermi level pinning for III-V MOS devices.

PubMed

Zhang, Zhaofu; Cao, Ruyue; Wang, Changhong; Li, Hao-Bo; Dong, Hong; Wang, Wei-Hua; Lu, Feng; Cheng, Yahui; Xie, Xinjian; Liu, Hui; Cho, Kyeongjae; Wallace, Robert; Wang, Weichao

2015-03-11

The use of an interfacial passivation layer is one important strategy for achieving a high quality interface between high-k and III-V materials integrated into high-mobility metal-oxide-semiconductor field-effect transistor (MOSFET) devices. Here, we propose gallium nitride (GaN) as the interfacial layer between III-V materials and hafnium oxide (HfO2). Utilizing first-principles calculations, we explore the structural and electronic properties of the GaN/HfO2 interface with respect to the interfacial oxygen contents. In the O-rich condition, an O8 interface (eight oxygen atoms at the interface, corresponding to 100% oxygen concentration) displays the most stability. By reducing the interfacial O concentration from 100 to 25%, we find that the interface formation energy increases; when sublayer oxygen vacancies exist, the interface becomes even less stable compared with O8. The band offset is also observed to be highly dependent on the interfacial oxygen concentration. Further analysis of the electronic structure shows that no interface states are present at the O8 interface. These findings indicate that the O8 interface serves as a promising candidate for high quality III-V MOS devices. Moreover, interfacial states are present when such interfacial oxygen is partially removed. The interface states, leading to Fermi level pinning, originate from unsaturated interfacial Ga atoms.

Effects of Alternating Hydrogenated and Protonated Segments in polymers on their Wettability.

NASA Astrophysics Data System (ADS)

Smith, Dennis; Traiphol, Rakchart; Cheng, Gang; Perahia, Dvora

2003-03-01

Polymers consisting of alternating hydrogenated and fluorinated segments exhibit unique interfacial characteristics governed by the components that dominate the interface. Presence of fluorine reduces the interfacial energy and is expected to decrease the adhesion to the polymer surface. Thin liquid crystalline (LC) layers of 4,4?-octyl-cyanobiphenyl, cast on top of a polymeric layer consisting of alternating methylstylbine protonated segments bridged by a fluorinated group was used as a mechanistic tool to study of interfacial effects on three parameters: wetting, interfacial alignment and surface induces structures. The liquid crystal cast on a low interfacial energy fluorinated polymeric film exhibits bulk homeotropic alignment as expected. However it fully wetted the polymer surface despite the incompatibility of the protonated LC and mainly fluorinated polymer interface. Further more, it was found to stabilize the interfacial Semitic layers to a higher temperature and induce different surface ordering that was not observed at the same temperature neither in the bulk nor at the interfaces with silicon or glass surface. These results indicate that the interfacial interactions of polymers with liquid crystals are a complex function of both surface energies and the interfacial structure of the polymer.

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.

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.

Location-Specific Measurements of The Glass Transition Temperature in Fluorescently Labeled Diblock Copolymers

NASA Astrophysics Data System (ADS)

Christie, Dane; Register, Richard; Priestley, Rodney

Block copolymers can self-assemble into periodic structures containing a high internal surface area, nanoscale domain periods, and periodically varying composition profiles. Depending on their components, block copolymers may also exhibit variations in their dynamic properties e.g., glass transition temperature (Tg) across the domain period. Measuring the variation of Tg across the domain period of block copolymers has remained a significant challenge due to the nanometer length scale of the domain period. Here we use fluorescence spectroscopy and the selective incorporation of a pyrene-containing methacrylate monomer at various positions along the chain to characterize the distribution of glass transition temperatures across the domain period of an amorphous block copolymer. The pyrene-containing monomer location is determined from the monomer segment distribution calculated using self-consistent field theory. Our model system is a lamella-forming diblock copolymer of poly(butyl methacrylate - b- methyl methacrylate). We show that Tg is asymmetrically distributed across the interface; as the interface is approached, larger gradients in Tg exist in the hard PMMA-rich domain than in the soft PBMA-rich domain. By characterizing Tg of PBMA or PMMA interfacial segments, we show that polymer dynamics at the interface are heterogeneous; there is a 15 K difference in Tg measured between PBMA interfacial segments and PMMA interfacial segments.

Tracking interface and common curve dynamics for two-fluid flow in porous media

DOE PAGES

Mcclure, James E.; Miller, Cass T.; Gray, W. G.; ...

2016-04-29

Pore-scale studies of multiphase flow in porous medium systems can be used to understand transport mechanisms and quantitatively determine closure relations that better incorporate microscale physics into macroscale models. Multiphase flow simulators constructed using the lattice Boltzmann method provide a means to conduct such studies, including both the equilibrium and dynamic aspects. Moving, storing, and analyzing the large state space presents a computational challenge when highly-resolved models are applied. We present an approach to simulate multiphase flow processes in which in-situ analysis is applied to track multiphase flow dynamics at high temporal resolution. We compute a comprehensive set of measuresmore » of the phase distributions and the system dynamics, which can be used to aid fundamental understanding and inform closure relations for macroscale models. The measures computed include microscale point representations and macroscale averages of fluid saturations, the pressure and velocity of the fluid phases, interfacial areas, interfacial curvatures, interface and common curve velocities, interfacial orientation tensors, phase velocities and the contact angle between the fluid-fluid interface and the solid surface. Test cases are studied to validate the approach and illustrate how measures of system state can be obtained and used to inform macroscopic theory.« less

Pore scale study of multiphase multicomponent reactive transport during CO 2 dissolution trapping

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

Chen, Li; Wang, Mengyi; Kang, Qinjun

Solubility trapping is crucial for permanent CO 2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO 2-water two-phase flow, multicomponent (CO 2(aq), H +, HCO 3 –, CO 3 2 – and OH –) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO 2(aq) concentration, scCO 2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is requiredmore » by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Lastly, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO 2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.« less

Self-assembled growth and structural analysis of inclined GaN nanorods on nanoimprinted m-sapphire using catalyst-free metal-organic chemical vapor deposition

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

Lee, Kyuseung; Chae, Sooryong; Jang, Jongjin

2016-04-15

In this study, self-assembled inclined (1-10-3)-oriented GaN nanorods (NRs) were grown on nanoimprinted (10-10) m-sapphire substrates using catalyst-free metal-organic chemical vapor deposition. According to X-ray phi-scans, the inclined GaN NRs were tilted at an angle of ∼57.5° to the [10-10]{sub sapp} direction. Specifically, the GaN NRs grew in a single inclined direction to the [11-20]{sub sapp}. Uni-directionally inclined NRs were formed through the one-sided (10-11)-faceted growth of the interfacial a-GaN plane layer. It was confirmed that a thin layer of a-GaN was formed on r-facet nanogrooves of the m-sapphire substrate by nitridation. The interfacial a-GaN nucleation affected both the inclinedmore » angle and the growth direction of the inclined GaN NRs. Using X-ray diffraction and selective area electron diffraction, the epitaxial relationship between the inclined (1-10-3) GaN NRs and interfacial a-GaN layer on m-sapphire substrates was systematically investigated. Moreover, the inclined GaN NRs were observed to be mostly free of stacking fault-related defects using high-resolution transmission electron microscopy.« less

Apparent Interfacial Fracture Toughness of Resin/Ceramic Systems

PubMed Central

Della Bona, A.; Anusavice, K.J.; Mecholsky, J.J.

2008-01-01

We suggest that the apparent interfacial fracture toughness (KA) may be estimated by fracture mechanics and fractography. This study tested the hypothesis that the KA of the adhesion zone of resin/ceramic systems is affected by the ceramic microstructure. Lithia disilicate-based (Empress2-E2) and leucite-based (Empress-E1) ceramics were surface-treated with hydrofluoric acid (HF) and/or silane (S), followed by an adhesive resin. Microtensile test specimens (n = 30; area of 1 ± 0.01 mm2) were indented (9.8 N) at the interface and loaded to failure in tension. We used tensile strength (σ) and the critical crack size (c) to calculate KA (KA = Yσc1/2) (Y = 1.65). ANOVA and Weibull analyses were used for statistical analyses. Mean KA (MPa•m1/2) values were: (E1HF) 0.26 ± 0.06; (E1S) 0.23 ± 0.06; (E1HFS) 0.30 ± 0.06; (E2HF) 0.31 ± 0.06; (E2S) 0.13 ± 0.05; and (E2HFS) 0.41 ± 0.07. All fractures originated from indentation sites. Estimation of interfacial toughness was feasible by fracture mechanics and fractography. The KA for the systems tested was affected by the ceramic microstructure and surface treatment. PMID:17062746

Pore scale study of multiphase multicomponent reactive transport during CO 2 dissolution trapping

DOE PAGES

Chen, Li; Wang, Mengyi; Kang, Qinjun; ...

2018-04-26

Solubility trapping is crucial for permanent CO 2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO 2-water two-phase flow, multicomponent (CO 2(aq), H +, HCO 3 –, CO 3 2 – and OH –) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO 2(aq) concentration, scCO 2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is requiredmore » by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Lastly, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO 2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.« less

Pore scale study of multiphase multicomponent reactive transport during CO2 dissolution trapping

NASA Astrophysics Data System (ADS)

Chen, Li; Wang, Mengyi; Kang, Qinjun; Tao, Wenquan

2018-06-01

Solubility trapping is crucial for permanent CO2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO2-water two-phase flow, multicomponent (CO2(aq), H+, HCO3-, CO32- and OH-) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO2(aq) concentration, scCO2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is required by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Finally, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.

Sulfur Impurities and the Microstructure of Alumina Scales

NASA Technical Reports Server (NTRS)

Smialek, James L.

1997-01-01

The relationship between the microstructure of alumina scales, adhesion, and sulfur content was examined through a series of nickel alloys oxidized in 1100 to 1200 deg. C cyclic or isothermal exposures in air. In cyclic tests of undoped NiCrAl, adhesion was produced when the sulfur content was reduced, without any change in scale microstructure. Although interfacial voids were not observed in cyclic tests of NiCrAl, they were promoted by long-term isothermal exposures, by sulfur doping, and in most exposures of NiAl. Two single crystal superalloys, PWA 1480 and Rene' N5, were also tested, either in the as-received condition or after the sulfur content had been reduced to less than 1 ppmw by hydrogen annealing. The unannealed alloys always exhibited spalling to bare metal, but interfacial voids were not observed consistently. Desulfurized PWA 1480 and Rene' N5 exhibited remarkable adhesion and no voidage for either isothermal or cyclic exposures. The most consistent microstructural feature was that, for the cases where voids did form, the scale undersides exhibited corresponding areas with ridged oxide grain boundaries. Voids were not required for spallation nor were other microstructural features essential for adhesion. These observations are consistent with the model whereby scale spallation is controlled primarily by interfacial sulfur segregation and the consequent degradation of oxide-metal bonding.

The effect of chain rigidity on the interfacial layer thickness and dynamics of polymer nanocomposites

NASA Astrophysics Data System (ADS)

Cheng, Shiwang; Carrillo, Jan-Michael Y.; Carroll, Bobby; Sumpter, Bobby G.; Sokolov, Alexei P.

There are growing experimental evidences showing the existence of an interfacial layer that has a finite thickness with slowing down dynamics in polymer nanocomposites (PNCs). Moreover, it is believed that the interfacial layer plays a significant role on various macroscopic properties of PNCs. A thicker interfacial layer is found to have more pronounced effect on the macroscopic properties such as the mechanical enhancement. However, it is not clear what molecular parameter controls the interfacial layer thickness. Inspired by our recent computer simulations that showed the chain rigidity correlated well with the interfacial layer thickness, we performed systematic experimental studies on different polymer nanocomposites by varying the chain stiffness. Combining small-angle X-ray scattering, broadband dielectric spectroscopy and temperature modulated differential scanning calorimetry, we find a good correlation between the polymer Kuhn length and the thickness of the interfacial layer, confirming the earlier computer simulations results. Our findings provide a direct guidance for the design of new PNCs with desired properties.

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.

Effects of Interfacial Fluorination on Performance Enhancement of High-k-Based Charge Trap Flash Memory

NASA Astrophysics Data System (ADS)

Wang, Chenjie; Huo, Zongliang; Liu, Ziyu; Liu, Yu; Cui, Yanxiang; Wang, Yumei; Li, Fanghua; Liu, Ming

2013-07-01

The effects of interfacial fluorination on the metal/Al2O3/HfO2/SiO2/Si (MAHOS) memory structure have been investigated. By comparing MAHOS memories with and without interfacial fluorination, it was identified that the deterioration of the performance and reliability of MAHOS memories is mainly due to the formation of an interfacial layer that generates excess oxygen vacancies at the interface. Interfacial fluorination suppresses the growth of the interfacial layer, which is confirmed by X-ray photoelectron spectroscopy depth profile analysis, increases enhanced program/erase efficiency, and improves data retention characteristics. Moreover, it was observed that fluorination at the SiO-HfO interface achieves a more effective performance enhancement than that at the HfO-AlO interface.

Three-phase Fe3O4/MWNT/PVDF nanocomposites with high dielectric constant for embedded capacitor

NASA Astrophysics Data System (ADS)

Wang, Haiyun; Fu, Qiong; Luo, Jiangqi; Zhao, Dongmei; Luo, Laihui; Li, Weiping

2017-06-01

To get the dielectric material with a high dielectric constant and low dielectric loss, the modified multiwalled carbon nanotube (MWNT-S) and ferroferric oxide (Fe3O4) particles were embedded into polyvinylidene fluoride (PVDF) to fabricate the Fe3O4/MWNT-S/PVDF ternary composites. The maximum dielectric constant of these composites can be up to 3490 at a very low filler fraction, and dielectric loss can be suppressed below 0.5. The small amount of the second filler (Fe3O4) can accelerate the formation of a percolation conductive network and improve the interfacial polarization. Therefore, the excellent dielectric properties can be achieved at low loading of fillers.

Evidence for lysine acetylation in the coat protein of a polerovirus.

PubMed

Cilia, Michelle; Johnson, Richard; Sweeney, Michelle; DeBlasio, Stacy L; Bruce, James E; MacCoss, Michael J; Gray, Stewart M

2014-10-01

Virions of the RPV strain of Cereal yellow dwarf virus-RPV were purified from infected oat tissue and analysed by MS. Two conserved residues, K147 and K181, in the virus coat protein, were confidently identified to contain epsilon-N-acetyl groups. While no functional data are available for K147, K181 lies within an interfacial region critical for virion assembly and stability. The signature immonium ion at m/z 126.0919 demonstrated the presence of N-acetyllysine, and the sequence fragment ions enabled an unambiguous assignment of the epsilon-N-acetyl modification on K181. We hypothesize that selection favours acetylation of K181 in a fraction of coat protein monomers to stabilize the capsid by promoting intermonomer salt bridge formation.

Load sharing in bioinspired fibrillar adhesives with backing layer interactions and interfacial misalignment

NASA Astrophysics Data System (ADS)

Bacca, Mattia; Booth, Jamie A.; Turner, Kimberly L.; McMeeking, Robert M.

2016-11-01

Bio-inspired fibrillar adhesives rely on the utilization of short-range intermolecular forces harnessed by intimate contact at fibril tips. The combined adhesive strength of multiple fibrils can only be utilized if equal load sharing (ELS) is obtained at detachment. Previous investigations have highlighted that mechanical coupling of fibrils through a compliant backing layer gives rise to load concentration and the nucleation and propagation of interfacial flaws. However, misalignment of the adhesive and contacting surface has not been considered in theoretical treatments of load sharing with backing layer interactions. Alignment imperfections are difficult to avoid for a flat-on-flat interfacial configuration. In this work we demonstrate that interfacial misalignment can significantly alter load sharing and the kinematics of detachment in a model adhesive system. Load sharing regimes dominated by backing layer interactions and misalignment are revealed, the transition between which is controlled by the misalignment angle, fibril separation, and fibril compliance. In the regime dominated by misalignment, backing layer deformation can counteract misalignment giving rise to improved load sharing when compared to an identical fibrillar array with a rigid backing layer. This result challenges the conventional belief that stiffer (and thinner) backing layers consistently reduce load concentration among fibrils. Finally, we obtain analytically the fibril compliance distribution required to harness backing layer interactions to obtain ELS. Through fibril compliance optimization, ELS can be obtained even with misalignment. However, since misalignment is typically not deterministic, it is of greater practical significance that the array optimized for perfect alignment exhibits load sharing superior to that of a homogeneous array subject to misalignment. These results inform the design of fibrillar arrays with graded compliance capable of exhibiting improved load sharing over large areas.

Interfacial toughness of bilayer dental ceramics based on a short-bar, chevron-notch test

PubMed Central

Anunmana, Chuchai; Anusavice, Kenneth J.; Mecholsky, John J.

2009-01-01

Objective The objective of this study was to test the null hypothesis that the interfacial toughness of each of two types of bonded core-veneer bilayer ceramics is not significantly different from the apparent fracture toughness of the control monolithic glass veneer. Methods T-shaped short bars of a lithia-disilicate glass-ceramic core (LC) and yttria-stabilized polycrystalline zirconia core ceramic (ZC) were prepared according to the manufacturer's recommendations. V-shaped notches were prepared by using 25-μm-thick palladium foil, leaving the chevron notch area exposed, and the bars were veneered with a thermally compatible glass veneer (LC/GV and ZC/GV). Additionally, we also bonded the glass veneer to itself as a control group (GV/GV). Specimens were kept in distilled water for 30 days before testing in tension. Eight glass veneer bars were prepared for the analysis of fracture toughness test using the indentation-strength technique. Results The mean interfacial toughness of the LC/GV group was 0.69 [0.11] MPa·m1/2, and did not significantly differ from that of the GV/GV control group, 0.74 (0.17) MPa·m1/2 (p > 0.05). However, the difference between the mean interfacial toughness of the ZC/GV group, 0.13 (0.07) MPa·m1/2, and the LC/GV and the GV/GV groups was statistically significant (p<0.05). Significance For bilayer all-ceramic restorations with high-strength core materials, the veneering ceramics are the weakest link in the design of the structure. Since all-ceramic restorations often fail from chipping of veneer layers or crack initiation at the interface, the protective effects of thermal mismatch stresses oral prosthesis design should be investigated. PMID:19818486

Interfacial Properties of NTAIL, an Intrinsically Disordered Protein.

PubMed

Bénarouche, Anaïs; Habchi, Johnny; Cagna, Alain; Maniti, Ofelia; Girard-Egrot, Agnès; Cavalier, Jean-François; Longhi, Sonia; Carrière, Frédéric

2017-12-19

Intrinsically disordered proteins (IDPs) lack stable secondary and tertiary structure under physiological conditions in the absence of their biological partners and thus exist as dynamic ensembles of interconverting conformers, often highly soluble in water. However, in some cases, IDPs such as the ones involved in neurodegenerative diseases can form protein aggregates and their aggregation process may be triggered by the interaction with membranes. Although the interfacial behavior of globular proteins has been extensively studied, experimental data on IDPs at the air/water (A/W) and water/lipid interfaces are scarce. We studied here the intrinsically disordered C-terminal domain of the Hendra virus nucleoprotein (N TAIL ) and compared its interfacial properties to those of lysozyme that is taken as a model globular protein of similar molecular mass. Adsorption of N TAIL at the A/W interface was studied in the absence and presence of phospholipids using Langmuir films, polarization modulated-infrared reflection-absorption spectroscopy, and an automated drop tensiometer for interfacial tension and elastic modulus determination with oscillating bubbles. N TAIL showed a significant surface activity, with a higher adsorption capacity at the A/W interface and penetration into egg phosphatidylcholine monolayer compared to lysozyme. Whereas lysozyme remains folded upon compression of the protein layer at the A/W interface and shows a quasi-pure elastic behavior, N TAIL shows a much higher molecular area and forms a highly viscoelastic film with a high dilational modulus. To our knowledge, a new disorder-to-order transition is thus observed for the N TAIL protein that folds into an antiparallel β-sheet at the A/W interface and presents strong intermolecular interactions. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Interfacial Thermal Conductance Limit and Thermal Rectification Across Vertical Carbon Nanotube/Graphene Nanoribbon-Silicon Interfaces

DTIC Science & Technology

2013-01-01

Interfacial thermal conductance limit and thermal rectification across vertical carbon nanotube/graphene nanoribbon-silicon interfaces Ajit K...054308 (2013) Investigation on interfacial thermal resistance and phonon scattering at twist boundary of silicon J. Appl. Phys. 113, 053513 (2013...2013 to 00-00-2013 4. TITLE AND SUBTITLE Interfacial thermal conductance limit and thermal rectification across vertical carbon nanotube/graphene

Cluster Dynamics Modeling with Bubble Nucleation, Growth and Coalescence

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

de Almeida, Valmor F.; Blondel, Sophie; Bernholdt, David E.

The topic of this communication pertains to defect formation in irradiated solids such as plasma-facing tungsten submitted to helium implantation in fusion reactor com- ponents, and nuclear fuel (metal and oxides) submitted to volatile ssion product generation in nuclear reactors. The purpose of this progress report is to describe ef- forts towards addressing the prediction of long-time evolution of defects via continuum cluster dynamics simulation. The di culties are twofold. First, realistic, long-time dynamics in reactor conditions leads to a non-dilute di usion regime which is not accommodated by the prevailing dilute, stressless cluster dynamics theory. Second, long-time dynamics callsmore » for a large set of species (ideally an in nite set) to capture all possible emerging defects, and this represents a computational bottleneck. Extensions beyond the dilute limit is a signi cant undertaking since no model has been advanced to extend cluster dynamics to non-dilute, deformable conditions. Here our proposed approach to model the non-dilute limit is to monitor the appearance of a spatially localized void volume fraction in the solid matrix with a bell shape pro le and insert an explicit geometrical bubble onto the support of the bell function. The newly cre- ated internal moving boundary provides the means to account for the interfacial ux of mobile species into the bubble, and the growth of bubbles allows for coalescence phenomena which captures highly non-dilute interactions. We present a preliminary interfacial kinematic model with associated interfacial di usion transport to follow the evolution of the bubble in any number of spatial dimensions and any number of bubbles, which can be further extended to include a deformation theory. Finally we comment on a computational front-tracking method to be used in conjunction with conventional cluster dynamics simulations in the non-dilute model proposed.« less

Thermal-gradient migration of brine inclusions in salt crystals. [Synthetic single crystals of NaCl and KCl

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

Yagnik, S.K.

1982-09-01

It has been proposed that high-level nuclear waste be disposed in a geologic repository. Natural-salt deposits, which are being considered for this purpose, contain a small volume fraction of water in the form of brine inclusions distributed throughout the salt. Radioactive-decay heating of the nuclear wastes will impose a temperature gradient on the surrounding salt which mobilizes the brine inclusions. Inclusions filled completely with brine migrate up the temperature gradient and eventually accumulate brine near the buried waste forms. The brine may slowly corrode or degrade the waste forms which is undesirable. In this work, thermal gradient migration of bothmore » all-liquid and gas-liquid inclusions was experimentally studied in synthetic single crystals of NaCl and KCl using a hot-stage attachment to an optical microscope which was capable of imposing temperature gradients and axial compressive loads on the crystals. The migration velocities of the inclusions were found to be dependent on temperature, temperature gradient, and inclusion shape and size. The velocities were also dictated by the interfacial mass transfer resistance at brine/solid interface. This interfacial resistance depends on the dislocation density in the crystal, which in turn, depends on the axial compressive loading of the crystal. At low axial loads, the dependence between the velocity and temperature gradient is non-linear.At high axial loads, however, the interfacial resistance is reduced and the migration velocity depends linearly on the temperature gradient. All-liquid inclusions filled with mixed brines were also studied. For gas-liquid inclusions, three different gas phases (helium, air and argon) were compared. Migration studies were also conducted on single crystallites of natural salt as well as in polycrystalline natural salt samples. The behavior of the inclusions at large angle grain boundaries was observed. 35 figures, 3 tables.« less

Comparison of Peak-area Ratios and Percentage Peak Area Derived from HPLC-evaporative Light Scattering and Refractive Index Detectors for Palm Oil and its Fractions.

PubMed

Ping, Bonnie Tay Yen; Aziz, Haliza Abdul; Idris, Zainab

2018-01-01

High-Performance Liquid Chromatography (HPLC) methods via evaporative light scattering (ELS) and refractive index (RI) detectors are used by the local palm oil industry to monitor the TAG profiles of palm oil and its fractions. The quantitation method used is based on area normalization of the TAG components and expressed as percentage area. Although not frequently used, peak-area ratios based on TAG profiles are a possible qualitative method for characterizing the TAG of palm oil and its fractions. This paper aims to compare these two detectors in terms of peak-area ratio, percentage peak area composition, and TAG elution profiles. The triacylglycerol (TAG) composition for palm oil and its fractions were analysed under similar HPLC conditions i.e. mobile phase and column. However, different sample concentrations were used for the detectors while remaining within the linearity limits of the detectors. These concentrations also gave a good baseline resolved separation for all the TAGs components. The results of the ELSD method's percentage area composition for the TAGs of palm oil and its fractions differed from those of RID. This indicates an unequal response of TAGs for palm oil and its fractions using the ELSD, also affecting the peak area ratios. They were found not to be equivalent to those obtained using the HPLC-RID. The ELSD method showed a better baseline separation for the TAGs components, with a more stable baseline as compared with the corresponding HPLC-RID. In conclusion, the percentage area compositions and peak-area ratios for palm oil and its fractions as derived from HPLC-ELSD and RID were not equivalent due to different responses of TAG components to the ELSD detector. The HPLC-RID has a better accuracy for percentage area composition and peak-area ratio because the TAG components response equally to the detector.

High Performance Pillared Vanadium Oxide Cathode for Lithium Ion Batteries

DTIC Science & Technology

2015-04-24

As a result, two major approaches have been taken to increase electrode- electrolyte interfacial area while minimizing lithium diffusion lengths...Performance Pillared Vanadium Oxide Cathode for Lithium Ion Batteries Siu on Tung, Krista L. Hawthorne, Yi Ding, James Mainero, and Levi T. Thompson...Automotive Research Development and Engineering Center, Warren, MI 48387, USA Keywords: nanostructured materials, lithium ion batteries, cathode

Nucleation and growth kinetics during metal-induced layer exchange crystallization of Ge thin films at low temperatures

NASA Astrophysics Data System (ADS)

Hu, Shu; McIntyre, Paul C.

2012-02-01

The kinetics of Al-catalyzed layer exchange crystallization of amorphous germanium (Ge) thin films at low temperatures is reported. Observation of Ge mass transport from an underlying amorphous Ge layer to the Al film surface through an interposed sub-nanometer GeOx interfacial layer allows independent measurement of the areal density and average area of crystalline Ge islands formed on the film surface. We show that bias-voltage stressing of the interfacial layer can be used to control the areal density of nucleated Ge islands. Based on experimental observations, the Johnson-Mehl-Avrami-Kolmogorov phase transformation theory is used to model nanoscale nucleation and growth of Ge islands in two dimensions. Ge island nucleation kinetics follows an exponentially decaying nucleation rate with time. Ge island growth kinetics switches from linear growth at a constant growth velocity to diffusion-limited growth as the growth front advances. The transition point between these two regimes depends on the Ge nucleation site density and the annealing temperature. Knowledge of the kinetics of low-temperature crystallization is important in achieving textured polycrystalline Ge thin films with large grains for applications in large-area electronics and solar energy conversion.

Quasi-ballistic Electronic Thermal Conduction in Metal Inverse Opals.

PubMed

Barako, Michael T; Sood, Aditya; Zhang, Chi; Wang, Junjie; Kodama, Takashi; Asheghi, Mehdi; Zheng, Xiaolin; Braun, Paul V; Goodson, Kenneth E

2016-04-13

Porous metals are used in interfacial transport applications that leverage the combination of electrical and/or thermal conductivity and the large available surface area. As nanomaterials push toward smaller pore sizes to increase the total surface area and reduce diffusion length scales, electron conduction within the metal scaffold becomes suppressed due to increased surface scattering. Here we observe the transition from diffusive to quasi-ballistic thermal conduction using metal inverse opals (IOs), which are metal films that contain a periodic arrangement of interconnected spherical pores. As the material dimensions are reduced from ∼230 nm to ∼23 nm, the thermal conductivity of copper IOs is reduced by more than 57% due to the increase in surface scattering. In contrast, nickel IOs exhibit diffusive-like conduction and have a constant thermal conductivity over this size regime. The quasi-ballistic nature of electron transport at these length scales is modeled considering the inverse opal geometry, surface scattering, and grain boundaries. Understanding the characteristics of electron conduction at the nanoscale is essential to minimizing the total resistance of porous metals for interfacial transport applications, such as the total electrical resistance of battery electrodes and the total thermal resistance of microscale heat exchangers.

Interfacial material for solid oxide fuel cell

DOEpatents

Baozhen, Li; Ruka, Roswell J.; Singhal, Subhash C.

1999-01-01

Solid oxide fuel cells having improved low-temperature operation are disclosed. In one embodiment, an interfacial layer of terbia-stabilized zirconia is located between the air electrode and electrolyte of the solid oxide fuel cell. The interfacial layer provides a barrier which controls interaction between the air electrode and electrolyte. The interfacial layer also reduces polarization loss through the reduction of the air electrode/electrolyte interfacial electrical resistance. In another embodiment, the solid oxide fuel cell comprises a scandia-stabilized zirconia electrolyte having high electrical conductivity. The scandia-stabilized zirconia electrolyte may be provided as a very thin layer in order to reduce resistance. The scandia-stabilized electrolyte is preferably used in combination with the terbia-stabilized interfacial layer. The solid oxide fuel cells are operable over wider temperature ranges and wider temperature gradients in comparison with conventional fuel cells.

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

Deformation twinning in a creep-deformed nanolaminate structure

NASA Astrophysics Data System (ADS)

Hsiung, Luke L.

2010-10-01

The underlying mechanism of deformation twinning occurring in a TiAl-(γ)/Ti3Al-(α2) nanolaminate creep deformed at elevated temperatures has been studied. Since the multiplication and propagation of lattice dislocations in both γ and α2 thin lamellae are very limited, the total flow of lattice dislocations becomes insufficient to accommodate the accumulated creep strains. Consequently, the movement of interfacial dislocations along the laminate interfaces, i.e., interface sliding, becomes an alternative deformation mode of the nanolaminate structure. Pile-ups of interfacial dislocations occur when interfacial ledges and impinged lattice dislocations act as obstacles to impede the movement of interfacial dislocations. Deformation twinning can accordingly take place to relieve a stress concentration resulting from the pile-up of interfacial dislocations. An interface-controlled twinning mechanism driven by the pile-up and dissociation of interfacial dislocations is accordingly proposed.

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.

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.

Interfacial behaviour of biopolymer multilayers: Influence of in vitro digestive conditions.

PubMed

Corstens, Meinou N; Osorio Caltenco, Lilia A; de Vries, Renko; Schroën, Karin; Berton-Carabin, Claire C

2017-05-01

Although multilayered emulsions have been related to reduced lipolysis, the involved interfacial phenomena have never been studied directly. In this work, we systematically built multilayers of whey protein and pectin, which we further subjected to digestive conditions, using two different techniques: droplet volume tensiometry to investigate interfacial rheology, and reflectometry to determine the amount of adsorbed material. Interfacial tension and dilatational rheology were linked to adsorption/desorption kinetics measured under static in vitro conditions. The interfacial tension and rheology of the multilayers was rather similar to those found for single whey protein layers, as well as their resistance to duodenal conditions and lipolytic components, which is explained by the rapid destabilisation of multilayers at neutral pH. Sequential adsorption of bile extract or lipase to pre-adsorbed films rapidly lowered the interfacial tension via co-adsorption and displacement, forming a viscoelastic film with low mechanical strength, and highly dynamic adsorption/desorption. When both were present, bile salts dominated the initial adsorption, followed by lipase co-adsorption and formation of lipolysis products that further lowered the interfacial tension, forming a complex interface (including biopolymers, bile salts, lipase, and lipolysis products), independent of pre-adsorbed biopolymer layers. Our study shows that the combination of drop volume tensiometry and reflectometry can be used to study complex interfacial behaviours under digestive conditions, which can lead to smart design of interfacial structures for controlled lipolysis in food emulsions. Copyright © 2017 Elsevier B.V. All rights reserved.

Skin-inspired hydrogel-elastomer hybrids with robust interfaces and functional microstructures

NASA Astrophysics Data System (ADS)

Yuk, Hyunwoo; Zhang, Teng; Parada, German Alberto; Liu, Xinyue; Zhao, Xuanhe

2016-06-01

Inspired by mammalian skins, soft hybrids integrating the merits of elastomers and hydrogels have potential applications in diverse areas including stretchable and bio-integrated electronics, microfluidics, tissue engineering, soft robotics and biomedical devices. However, existing hydrogel-elastomer hybrids have limitations such as weak interfacial bonding, low robustness and difficulties in patterning microstructures. Here, we report a simple yet versatile method to assemble hydrogels and elastomers into hybrids with extremely robust interfaces (interfacial toughness over 1,000 Jm-2) and functional microstructures such as microfluidic channels and electrical circuits. The proposed method is generally applicable to various types of tough hydrogels and diverse commonly used elastomers including polydimethylsiloxane Sylgard 184, polyurethane, latex, VHB and Ecoflex. We further demonstrate applications enabled by the robust and microstructured hydrogel-elastomer hybrids including anti-dehydration hydrogel-elastomer hybrids, stretchable and reactive hydrogel-elastomer microfluidics, and stretchable hydrogel circuit boards patterned on elastomer.

The interfacial, emulsification and encapsulation properties of hydrophobically modified inulin.

PubMed

Kokubun, S; Ratcliffe, I; Williams, P A

2018-08-15

Octenyl- and dodecenyl succinic anhydride derivatives (OSA- and DDSA-) of inulin have been synthesised and their solution and interfacial properties have been determined and compared to a commercially available alkylated inulin, Inutec SP1. All samples formed micellar aggregates in solution above a critical concentration (critical aggregation concentration) and were able to 'dissolve' a hydrophobic dye. They were also able to form stable oil-in-water (O/W) emulsions as assessed by measurements of their droplet size as a function of time. DDSA-inulin with a high degree of substitution was found to be effective at encapsulating beta carotene using the solvent evaporation method which yielded a solid which dissolved readily in simulated gastric fluid. The results confirm the potential application of these materials in a number of areas including, drug delivery, pharmaceuticals, neutraceuticals, cosmetics and personal care. Copyright © 2018 Elsevier Ltd. All rights reserved.

Improved uniformity in high-performance organic photovoltaics enabled by (3-aminopropyl)triethoxysilane cathode functionalization.

PubMed

Luck, Kyle A; Shastry, Tejas A; Loser, Stephen; Ogien, Gabriel; Marks, Tobin J; Hersam, Mark C

2013-12-28

Organic photovoltaics have the potential to serve as lightweight, low-cost, mechanically flexible solar cells. However, losses in efficiency as laboratory cells are scaled up to the module level have to date impeded large scale deployment. Here, we report that a 3-aminopropyltriethoxysilane (APTES) cathode interfacial treatment significantly enhances performance reproducibility in inverted high-efficiency PTB7:PC71BM organic photovoltaic cells, as demonstrated by the fabrication of 100 APTES-treated devices versus 100 untreated controls. The APTES-treated devices achieve a power conversion efficiency of 8.08 ± 0.12% with histogram skewness of -0.291, whereas the untreated controls achieve 7.80 ± 0.26% with histogram skewness of -1.86. By substantially suppressing the interfacial origins of underperforming cells, the APTES treatment offers a pathway for fabricating large-area modules with high spatial performance uniformity.

Influence of BN fiber coatings on the interfacial structure of sapphire fiber reinforced NiAl composites

NASA Astrophysics Data System (ADS)

Reichert, K.; Wen, K.; Cremer, R.; Hu, W.; Neuschütz, D.; Gottstein, G.

2001-07-01

A new concept for a tailored fiber-matrix interface for sapphire fiber reinforced NiAl matrix composites is proposed, consisting of an initial hexagonal boron nitride (hBN) fiber coating. For this, single crystal Al 2O 3 fibers were coated with hBN by chemical vapor deposition (CVD). Following a comprehensive characterization of the CVD coating as to composition and structure by means of X-ray photoelectron spectroscopy (XPS) and grazing incidence X-ray diffraction (GIXRD), the fiber reinforced NiAl matrix composites were fabricated by diffusion bonding at 1400°C. The interfaces NiAl/BN and BN/Al 2O 3 were analyzed by scanning electron microscopy (SEM), analytical transmission electron microscopy (TEM), and selected area diffraction (SAD). An interfacial reaction between NiAl and hBN to form AlN was revealed using these analytical techniques.

Role of scaffold network in controlling strain and functionalities of nanocomposite films

DOE PAGES

Chen, Aiping; Hu, Jia -Mian; Lu, Ping; ...

2016-06-10

One novel approach to manipulating functionalities in correlated complex oxides is strain. However, significant epitaxial strain can only be achieved in ultrathin layers. We show that, under direct lattice matching framework, large and uniform vertical strain up to 2% can be achieved to significantly modify the magnetic anisotropy, magnetism, and magnetotransport properties in heteroepitaxial nanoscaffold films, over a few hundred nanometers in thickness. Comprehensive designing principles of large vertical strain have been proposed. Phase-field simulations not only reveal the strain distribution but also suggest that the ultimate strain is related to the vertical interfacial area and interfacial dislocation density. Moreover,more » by changing the nanoscaffold density and dimension, the strain and the magnetic properties can be tuned. The established correlation among the vertical interface—strain—properties in nanoscaffold films can consequently be used to tune other functionalities in a broad range of complex oxide films far beyond critical thickness.« less

On the enrichment of hydrophobic organic compounds in fog droplets

NASA Astrophysics Data System (ADS)

Valsaraj, K. T.; Thoma, G. J.; Reible, D. D.; Thibodeaux, L. J.

The unusual degree of enrichment of hydrophobic organics in fogwater droplets reported by several investigators can be interpreted as a result of (a) the effects of temperature correction on the reported enrichment factors, (b) the effects of colloidal organic matter (both filterable and non-filterable) in fog water and (c) the effects of the large air-water interfacial adsorption of neutral hydrophobic organics on the tiny fog droplets. The enrichment factor was directly correlated to the hydrophobicity (or the activity coefficient in water) of the compounds, as indicated by their octanol-water partition constants. Compounds with large octanol-water partition coefficients (high activity coefficients in water) showed the largest enrichment. Available experimental data on the adsorption of hydrophobic compounds at the air-water interface and on colloidal organic carbon were used to show that the large specific air-water interfacial areas of fog droplets contribute significantly to the enrichment factor.

Role of scaffold network in controlling strain and functionalities of nanocomposite films

PubMed Central

Chen, Aiping; Hu, Jia-Mian; Lu, Ping; Yang, Tiannan; Zhang, Wenrui; Li, Leigang; Ahmed, Towfiq; Enriquez, Erik; Weigand, Marcus; Su, Qing; Wang, Haiyan; Zhu, Jian-Xin; MacManus-Driscoll, Judith L.; Chen, Long-Qing; Yarotski, Dmitry; Jia, Quanxi

2016-01-01

Strain is a novel approach to manipulating functionalities in correlated complex oxides. However, significant epitaxial strain can only be achieved in ultrathin layers. We show that, under direct lattice matching framework, large and uniform vertical strain up to 2% can be achieved to significantly modify the magnetic anisotropy, magnetism, and magnetotransport properties in heteroepitaxial nanoscaffold films, over a few hundred nanometers in thickness. Comprehensive designing principles of large vertical strain have been proposed. Phase-field simulations not only reveal the strain distribution but also suggest that the ultimate strain is related to the vertical interfacial area and interfacial dislocation density. By changing the nanoscaffold density and dimension, the strain and the magnetic properties can be tuned. The established correlation among the vertical interface—strain—properties in nanoscaffold films can consequently be used to tune other functionalities in a broad range of complex oxide films far beyond critical thickness. PMID:27386578

Core/shell, protuberance-free multiwalled carbon nanotube/polyaniline nanocomposites via interfacial chemistry of aryl diazonium salts.

PubMed

Mekki, Ahmed; Samanta, Soumen; Singh, Ajay; Salmi, Zakaria; Mahmoud, Rachid; Chehimi, Mohamed M; Aswal, Dinesh K

2014-03-15

Highly uniform core-shell like multi-walled carbon nanotubes-polyaniline (MWCNT-PANI) nanocomposites were prepared in two steps (i) surface modification of MWCNTs with a 4-aminodiphenylamine group via in situ diazonium generation process; and (ii) polymerization of aniline onto surface modified MWCNTs. This functionalization helped to easily disperse the MWCNTs in acidic solutions; hence it is suitable for the chemical oxidative polymerization of aniline. It was found that MWCNT-PANI nano-composites with higher MWCNTs loading yield PANI chains with more quinoid units than the pure PANI, which results in significant improvement in the conductivity of the composites. This facile approach of synthesizing core-shell nanocomposites highlights the efficiency of the interfacial chemistry of aryl diazonium salts in generating conductive polymer/MWCNT nanocomposites with enhanced conductivity and high surface area. Copyright © 2013 Elsevier Inc. All rights reserved.

Large enhancement of Blocking temperature by control of interfacial structures in Pt/NiFe/IrMn/MgO/Pt multilayers

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

Chen, Xi; Wang, Shouguo, E-mail: sgwang@ustb.edu.cn; Han, Gang

2015-09-15

The Blocking temperature (T{sub B}) of Pt/NiFe/IrMn/MgO/Pt multilayers was greatly enhanced from far below room temperature (RT) to above RT by inserting 1 nm thick Mg layer at IrMn/MgO interface. Furthermore, the exchange bias field (H{sub eb}) was increased as well by the control of interfacial structures. The evidence for a significant fraction of Mn-O bonding at IrMn/MgO interface without Mg insertion layer was provided by X-ray photoelectron spectroscopy. The bonding between Mn and O can decrease the antiferromagnetism of IrMn film, leading to lower value of T{sub B} in Pt/NiFe/IrMn/MgO/Pt multilayers. Ultrathin Mg film inserted at IrMn/MgO interface actingmore » as an oxygen sinking layer can suppress the oxidation reactions between Mn and O and reduce the formation of Mn-O bonding greatly. The oxidation suppression results in the recovery of the antiferromagnetism of IrMn film, which can enhance T{sub B} and H{sub eb}. Furthermore, the high resolution transmission electron microscopy demonstrates that the Mg insertion layer can efficiently promote a high-quality MgO (200) texture. This study will enhance the understanding of physics in antiferromagnet-based spintronic devices.« less

Orientation-dependent hydration structures at yttria-stabilized cubic zirconia surfaces

DOE PAGES

Hou, Binyang; Kim, Seunghyun; Kim, Taeho; ...

2016-11-30

Water interaction with surfaces is very important and plays key roles in many natural and technological processes. Because the experimental challenges that arise when studying the interaction water with specific crystalline surfaces, most studies on metal oxides have focused on powder samples, which averaged the interaction over different crystalline surfaces. As a result, studies on the crystal orientation-dependent interaction of water with metal oxides are rarely available in the literature. In this work, water adsorption at 8 mol % yttria-stabilized cubic single crystal zirconia (100) and (111) surfaces was studied in terms of interfacial hydration structures using high resolution X-raymore » reflectivity measurements. The interfacial electron density profiles derived from the structure factor analysis of the measured data show the existence of multiple layers of adsorbed water with additional peculiar metal adsorption near the oxide surfaces.Surface relaxation, depletion, and interaction between the adsorbed layers and bulk water are found to vary greatly between the two surfaces and are also different when compared to the previously studied (110) surface. The fractional ratio between chemisorbed and physisorbed water species were also quantitatively estimated, which turned out to vary dramatically from surface to surface. Finally, the result gives us a unique opportunity to reconsider the simplified 2:1 relation between chemisorption and physisorption, originally proposed by Morimoto et al. based on the adsorption isotherms of water on powder metal oxide samples.« less

Stern Layer Structure and Energetics at Mica-Water Interfaces

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

Bourg, Ian C.; Lee, Sang Soo; Fenter, Paul

2017-04-11

The screening of surface charge by dissolved ions at solid liquid interfaces in the region of interfacial fluid known as the electrical double layer (EDL)-plays a recurrent role in surface science, from ion adsorption to colloidal mechanics to the transport properties of nanoporous media. A persistent unknown in theories of EDL-related phenomena is the structure of the Stern layer, the near-surface portion of the EDL where water molecules and adsorbed ions form specific short-range interactions with surface atoms. Here, we describe a set of synchrotron X-ray reflectivity (XRR) experiments and molecular dynamics (MD) simulations carried out under identical conditions formore » a range of 0.1 M alkali chloride (Li-, Na-, K-, Rb-, or CsCl) solutions on the basal surface of muscovite mica, a mineral isostructural to phyllosilicate clay minerals and one of the most widely studied reference surfaces in interfacial science. Our XRR and MD simulation results provide a remarkably consistent view of the structure and energetics of the Stern layer, with some discrepancy on the fraction of the minor outer-sphere component of Rb and on the adsorption energetics of Li. The results of both techniques, along with surface complexation model calculations, provide insight into the sensitivity of water structure and ion adsorption to surface topography and the type of adsorbed counterion.« less

Measuring Interfacial Tension Between Immiscible Liquids

NASA Technical Reports Server (NTRS)

Rashidnia, Nasser; Balasubramaniam, R.; Delsignore, David M.

1995-01-01

Glass capillary tube technique measures interfacial tension between two immiscible liquids. Yields useful data over fairly wide range of interfacial tensions, both for pairs of liquids having equal densities and pairs of liquids having unequal densities. Data on interfacial tensions important in diverse industrial chemical applications, including enhanced extraction of oil; printing; processing foods; and manufacture of paper, emulsions, foams, aerosols, detergents, gel encapsulants, coating materials, fertilizers, pesticides, and cosmetics.

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.

Surface thermodynamics of planar, cylindrical, and spherical vapour-liquid interfaces of water

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

Lau, Gabriel V.; Müller, Erich A.; Jackson, George

2015-03-21

The test-area (TA) perturbation approach has been gaining popularity as a methodology for the direct computation of the interfacial tension in molecular simulation. Though originally implemented for planar interfaces, the TA approach has also been used to analyze the interfacial properties of curved liquid interfaces. Here, we provide an interpretation of the TA method taking the view that it corresponds to the change in free energy under a transformation of the spatial metric for an affine distortion. By expressing the change in configurational energy of a molecular configuration as a Taylor expansion in the distortion parameter, compact relations are derivedmore » for the interfacial tension and its energetic and entropic components for three different geometries: planar, cylindrical, and spherical fluid interfaces. While the tensions of the planar and cylindrical geometries are characterized by first-order changes in the energy, that of the spherical interface depends on second-order contributions. We show that a greater statistical uncertainty is to be expected when calculating the thermodynamic properties of a spherical interface than for the planar and cylindrical cases, and the evaluation of the separate entropic and energetic contributions poses a greater computational challenge than the tension itself. The methodology is employed to determine the vapour-liquid interfacial tension of TIP4P/2005 water at 293 K by molecular dynamics simulation for planar, cylindrical, and spherical geometries. A weak peak in the curvature dependence of the tension is observed in the case of cylindrical threads of condensed liquid at a radius of about 8 Å, below which the tension is found to decrease again. In the case of spherical drops, a marked decrease in the tension from the planar limit is found for radii below ∼ 15 Å; there is no indication of a maximum in the tension with increasing curvature. The vapour-liquid interfacial tension tends towards the planar limit for large system sizes for both the cylindrical and spherical cases. Estimates of the entropic and energetic contributions are also evaluated for the planar and cylindrical geometries and their magnitudes are in line with the expectations of our simple analysis.« less

Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys.

PubMed

Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

2018-04-20

Al₃TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al₃Zr and Al₃Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al₃TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al₃Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al₃(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al₃(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al₃Zr-core or Al₃Zr(Sc1-1)-core encircled with an Sc-rich shell forms.

Quadriceps intramuscular fat fraction rather than muscle size is associated with knee osteoarthritis

PubMed Central

Kumar, Deepak; Karampinos, Dimitrios C.; MacLeod, Toran D.; Lin, Wilson; Nardo, Lorenzo; Li, Xiaojuan; Link, Thomas M; Majumdar, Sharmila; Souza, Richard B

2014-01-01

Objectives To compare thigh muscle intramuscular fat (intraMF) fractions and area between people with and without knee radiographic osteoarthritis (ROA); and to evaluate the relationships of quadriceps adiposity and area with strength, function and knee MRI lesions. Methods Ninety six subjects (ROA: KL >1; n = 30, control: KL = 0,1; n = 66) underwent 3-Tesla MRI of the thigh muscles using chemical shift-based water/fat MR imaging (fat fractions) and the knee (clinical grading). Subjects were assessed for isometric/isokinetic quadriceps/hamstrings strength, function (KOOS, stair climbing test [SCT], and 6-minute walk test [(6MWT]. Thigh muscle intraMF fractions, muscle area and strength, and function were compared between controls and ROA subjects, adjusting for age. Relationships between measures of muscle fat/area with strength, function, KL and lesion scores were assessed using regression and correlational analyses. Results The ROA group had worse KOOS scores but SCT and 6MWT were not different. The ROA group had greater quadriceps intraMF fraction but not for other muscles. Quadriceps strength was lower in ROA group but the area was not different. Quadriceps intraMF fraction but not area predicted self-reported disability. Aging, worse KL, and cartilage and meniscus lesions were associated with higher quadriceps intraMF fraction. Conclusion Quadriceps intraMF is higher in people with knee OA and is related to symptomatic and structural severity of knee OA, where as the quadriceps area is not. Quadriceps fat fraction from chemical shift-based water/fat MR imaging may have utility as a marker of structural and symptomatic severity of knee OA disease process. PMID:24361743

Mechanics of finite cracks in dissimilar anisotropic elastic media considering interfacial elasticity

DOE PAGES

Juan, Pierre -Alexandre; Dingreville, Remi

2016-10-31

Interfacial crack fields and singularities in bimaterial interfaces (i.e., grain boundaries or dissimilar materials interfaces) are considered through a general formulation for two-dimensional (2-D) anisotropic elasticity while accounting for the interfacial structure by means of an interfacial elasticity paradigm. The interfacial elasticity formulation introduces boundary conditions that are effectively equivalent to those for a weakly bounded interface. This formalism considers the 2-D crack-tip elastic fields using complex variable techniques. While the consideration of the interfacial elasticity does not affect the order of the singularity, it modifies the oscillatory effects associated with problems involving interface cracks. Constructive or destructive “interferences” aremore » directly affected by the interface structure and its elastic response. Furthermore, this general formulation provides an insight on the physical significance and the obvious coupling between the interface structure and the associated mechanical fields in the vicinity of the crack tip.« less

Mechanics of finite cracks in dissimilar anisotropic elastic media considering interfacial elasticity

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

Juan, Pierre -Alexandre; Dingreville, Remi

Interfacial crack fields and singularities in bimaterial interfaces (i.e., grain boundaries or dissimilar materials interfaces) are considered through a general formulation for two-dimensional (2-D) anisotropic elasticity while accounting for the interfacial structure by means of an interfacial elasticity paradigm. The interfacial elasticity formulation introduces boundary conditions that are effectively equivalent to those for a weakly bounded interface. This formalism considers the 2-D crack-tip elastic fields using complex variable techniques. While the consideration of the interfacial elasticity does not affect the order of the singularity, it modifies the oscillatory effects associated with problems involving interface cracks. Constructive or destructive “interferences” aremore » directly affected by the interface structure and its elastic response. Furthermore, this general formulation provides an insight on the physical significance and the obvious coupling between the interface structure and the associated mechanical fields in the vicinity of the crack tip.« less

Contributions and mechanisms of action of graphite nanomaterials in ultra high performance concrete

NASA Astrophysics Data System (ADS)

Sbia, Libya Ahmed

Ultra-high performance concrete (UHPC) reaches high strength and impermeability levels by using a relatively large volume fraction of a dense binder with fine microstructure in combination with high-quality aggregates of relatively small particle size, and reinforcing fibers. The dense microstructure of the cementitions binder is achieved by raising the packing density of the particulate matter, which covers sizes ranging from few hundred nanometers to few millimeters. The fine microstructure of binder in UHPC is realized by effective use of pozzolans to largely eliminate the coarse crystalline particles which exist among cement hydrates. UHPC incorporates (steel) fibers to overcome the brittleness of its dense, finely structured cementitious binder. The main thrust of this research is to evaluate the benefits of nanmaterials in UHPC. The dense, finely structure cementitious binder as well as the large volume fraction of the binder in UHPC benefit the dispersion of nanomaterials, and their interfacial interactions. The relatively close spacing of nanomaterials within the cementitious binder of UHPC enables them to render local reinforcement effects in critically stressed regions such as those in the vicinity of steel reinforcement and prestressing strands as well as fibers. Nanomaterials can also raise the density of the binder in UHPC by extending the particle size distribution down to the few nanometers range. Comprehensive experimental studies supported by theoretical investigations were undertake in order to optimize the use of nanomaterials in UHPC, identity the UHPC (mechanical) properties which benefit from the introduction of nanomaterials, and define the mechanisms of action of nanomaterials in UHPC. Carbon nanofiber was the primary nanomaterial used in this investigation. Some work was also conducted with graphite nanoplates. The key hypotheses of the project were as follows: (i) nanomaterials can make important contributions to the packing density of the particulate matter in UHPC by extending the particle size distribution down to the few nanometers range; (ii) there are synergistic reinforcing actions of steel fibers and graphite nanomaterials in UHPC, which can be explained by their complementary spacing and also the benefit of nanomaterials to the interfacial bonding and pullout behavior of steel fibers; and (iii) nanomaterials make important contributions to the bonding and pullout behavior of prestressing strands and deformed bars in concrete, which can be attributed to the close spacing of nanomaterials within the highly stressed interfacial regions occurring in the vicinity of strands and reinforcing bars; steel fibers are loss effective in this regard due to the disturbance of their distribution and orientation in the vicinity of strands and bars. These hypotheses were successfully verified through the experimental and theoretical investigations conducted in this research.

Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties.

PubMed

Ghadar, Yasaman; Clark, Aurora E

2014-06-28

Liquid:vapor and liquid:liquid interfaces exhibit complex organizational structure and dynamics at the molecular level. In the case of water and organic solvents, the hydrophobicity of the organic, its conformational flexibility, and compressibility, all influence interfacial properties. This work compares the interfacial tension, width, molecular conformations and orientations at the vapor and aqueous liquid interfaces of two solvents, n-pentane and neopentane, whose varying molecular shapes can lead to significantly different interfacial behavior. Particular emphasis has been dedicated toward understanding how the hydrogen bond network of water responds to the pentane relative to the vapor interface and the sensitivity of the network to the individual pentane isomer and system temperature. Interfacial microsolvation of the immiscible solvents has been examined using graph theoretical methods that quantify the structure and dynamics of microsolvated species (both H2O in C5H12 and C5H12 in H2O). At room temperature, interfacial water at the pentane phase boundary is found to have markedly different organization and dynamics than at the vapor interface (as indicated by the hydrogen bond distributions and hydrogen bond persistence in solution). While the mesoscale interfacial properties (e.g. interfacial tension) are sensitive to the specific pentane isomer, the distribution and persistence of microsolvated species at the interface is nearly identical for both systems, irrespective of temperature (between 273 K and 298 K). This has important implications for understanding how properties defined by the interfacial organization are related to the underlying solvation reactions that drive formation of the phase boundary.

pH-Induced Changes in the Surface Viscosity of Unsaturated Phospholipids Monitored Using Active Interfacial Microrheology.

PubMed

Ghazvini, Saba; Alonso, Ryan; Alhakamy, Nabil; Dhar, Prajnaparamita

2018-01-23

Lipid membranes, a major component of cells, are subjected to significant changes in pH depending on their location in the cell: the outer leaflet of the cell membrane is exposed to a pH of 7.4 whereas lipid membranes that make up late endosomes and lysosomes are exposed to a pH of as low as 4.4. The purpose of this study is to evaluate how changes in the environmental pH within cells alter the fluidity of phospholipid membranes. Specifically, we studied pH-induced alterations in the surface arrangement of monounsaturated lipids with zwitterionic headgroups (phosphoethanolamine (PE) and phosphocholine (PC)) that are abundant in plasma membranes as well as anionic lipids (phosphatidylserine (PS) and phosphatidylglycerol (PG)) that are abundant in inner membranes using a combination of techniques including surface tension vs area measurements, interfacial microrheology, and fluorescence/atomic force microscopy. Using an active interfacial microrheology technique, we find that phospholipids with zwitterionic headgroups show a significant increase in their surface viscosity at acidic pH. This increase in surface viscosity is also found to depend on the size of the lipid headgroup, with a smaller headgroup showing a greater increase in viscosity. The observed pH-induced increase in viscosity is also accompanied by an increase in the cohesion pressure between zwitterionic molecules at acidic pH and a decrease in the average molecular area of the lipids, as measured by fitting the surface pressure isotherms to well-established equations of state. Because fluorescent images show no change in the phase of the lipids, we attribute this change in surface viscosity to the pH-induced reorientation of the P - -N + dipoles that form part of the polar lipid headgroup, resulting in increased lipid-lipid interactions. Anionic PG headgroups do not demonstrate this pH-induced change in viscosity, suggesting that the presence of a net negative charge on the headgroup causes electrostatic repulsion between the headgroups. Our results also show that active interfacial microrheology is a sensitive technique for detecting minute changes in the lipid headgroup orientation induced by changes in the local membrane environment, even in unsaturated phospholipids where the surface viscosity is close to the experimental detection limit.

Specific surface area of a crushed welded tuff before and after aqueous dissolution

USGS Publications Warehouse

Reddy, M.M.; Claassen, H.C.

1994-01-01

Specific surface areas were measured for several reference minerals (anorthoclase, labradorite and augite), welded tuff and stream sediments from Snowshoe Mountain, near Creede, Colorado. Crushed and sieved tuff had an unexpectedly small variation in specific surface area over a range of size fractions. Replicate surface area measurements of the largest and smallest tuff particle size fractions examined (1-0.3 mm and <0.212 mm) were 2.3 ?? 0.2 m2/g for each size fraction. Reference minerals prepared in the same way as the tuff had smaller specific surface areas than that of the tuff of the same size fraction. Higher than expected tuff specific surface areas appear to be due to porous matrix. Tuff, reacted in solutions with pH values from 2 to 6, had little change in specific surface area in comparison with unreacted tuff. Tuff, reacted with solutions having high acid concentrations (0.1 M hydrochloric acid or sulfuric-hydrofluoric acid), exhibited a marked increase in specific surface area compared to unreacted tuff. ?? 1994.

Roles of interfacial reaction on mechanical properties of solder interfaces

NASA Astrophysics Data System (ADS)

Liu, Pilin

This study investigated roles of interfacial reaction in fracture and fatigue of solder interconnects. The interfacial reaction phases in the as-reflowed and after aging were examined by cross-sectional transmission electron microscopy (TEM) while interfacial mechanical properties were determined from a flexural peel fracture mechanics technique. Because of their widespread uses in microelectronic packaging, SnPb solder interfaces, and Bi-containing Pb-free solder interfaces were chosen as the subjects of this study. In the interfacial reaction study, we observed a complicated micro structural evolution during solid-state aging of electroless-Ni(P)/SnPb solder interconnects. In as-reflowed condition, the interfacial reaction produced Ni3Sn 4 and P-rich layers. Following overaging, the interfacial microstructure degenerated into a complex multilayer structure consisting of multiple layers of Ni-Sn compounds and transformed Ni-P phases. In SnPb solder interfacial system, fatigue study showed that the overaging of the high P electroless Ni-P/SnPb interconnects resulted in a sharp reduction in the fatigue resistance of the interface in the high crack growth rate regime. Fracture mechanism analysis indicated that the sharp drop in fatigue resistance was triggered by the brittle fracture of the Ni3Sn2 intermetallic phase developed at the overaged interface. The fatigue behavior was strongly dependent on P concentration in electroless Ni. Kirkendall voids were found in the interfacial region after aging, but they did not cause premature fracture of the solder interfaces. In Bi-containing solder interfacial system, we found that Bi segregated to the Cu-intermetallic interface during aging in SnBi/Cu interconnect. This caused serious embrittlement of Sn-Bi/Cu interface. Further aging induced numerous voids along the Cu3Sn/Cu interface. These interfacial voids were different from Kirkendall voids. Their formation was explained on basis of vacancy condensation at the interface as the Bi segregants reduced the number of effective Cu vacancy sink sites and enhanced void nucleation at the interface. The Bi segregation was avoided by replacing the Cu metallization with Ni. It was found that Bi developed a concentration gradient in the Ni 3Sn4 during interfacial reaction, with the Bi concentration falling off to zero as the Ni/IMC interface was approached. Therefore, the inhibition of Bi segregation by Ni was due to the inability of Bi to reach Ni/IMC interface.

Vapor-phase transport of trichloroethene in an intermediate-scale vadose-zone system: retention processes and tracer-based prediction.

PubMed

Costanza-Robinson, Molly S; Carlson, Tyson D; Brusseau, Mark L

2013-02-01

Gas-phase transport experiments were conducted using a large weighing lysimeter to evaluate retention processes for volatile organic compounds (VOCs) in water-unsaturated (vadose-zone) systems, and to test the utility of gas-phase tracers for predicting VOC retardation. Trichloroethene (TCE) served as a model VOC, while trichlorofluoromethane (CFM) and heptane were used as partitioning tracers to independently characterize retention by water and the air-water interface, respectively. Retardation factors for TCE ranged between 1.9 and 3.5, depending on water content. The results indicate that dissolution into the bulk water was the primary retention mechanism for TCE under all conditions studied, contributing approximately two-thirds of the total measured retention. Accumulation at the air-water interface comprised a significant fraction of the observed retention for all experiments, with an average contribution of approximately 24%. Sorption to the solid phase contributed approximately 10% to retention. Water contents and air-water interfacial areas estimated based on the CFM and heptane tracer data, respectively, were similar to independently measured values. Retardation factors for TCE predicted using the partitioning-tracer data were in reasonable agreement with the measured values. These results suggest that gas-phase tracer tests hold promise for characterizing the retention and transport of VOCs in the vadose-zone. Copyright © 2012 Elsevier B.V. All rights reserved.

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

Rajagopal, K. R.; Rao, I. J.

The procedures in place for producing materials in order to optimize their performance with respect to creep characteristics, oxidation resistance, elevation of melting point, thermal and electrical conductivity and other thermal and electrical properties are essentially trial and error experimentation that tend to be tremendously time consuming and expensive. A computational approach has been developed that can replace the trial and error procedures in order that one can efficiently design and engineer materials based on the application in question can lead to enhanced performance of the material, significant decrease in costs and cut down the time necessary to produce suchmore » materials. The work has relevance to the design and manufacture of turbine blades operating at high operating temperature, development of armor and missiles heads; corrosion resistant tanks and containers, better conductors of electricity, and the numerous other applications that are envisaged for specially structured nanocrystalline solids. A robust thermodynamic framework is developed within which the computational approach is developed. The procedure takes into account microstructural features such as the dislocation density, lattice mismatch, stacking faults, volume fractions of inclusions, interfacial area, etc. A robust model for single crystal superalloys that takes into account the microstructure of the alloy within the context of a continuum model is developed. Having developed the model, we then implement in a computational scheme using the software ABAQUS/STANDARD. The results of the simulation are compared against experimental data in realistic geometries.« less

Correlation of microstructure with dynamic deformation behavior and penetration performance of tungsten heavy alloys fabricated by mechanical alloying

NASA Astrophysics Data System (ADS)

Kim, Dong-Kuk; Lee, Sunghak; Ryu, Ho Jin; Hyunghong, Soon; Noh, Joon-Woong

2000-10-01

In this study, tungsten heavy alloy specimens were fabricated by mechanical alloying (MA), and their dynamic torsional properties and penetration performance were investigated. Dynamic torsional tests were conducted on the specimens fabricated with different sintering temperatures after MA, and then the test data were compared with those of a conventionally processed specimen. Refinement of tungsten particles was obtained after MA, but contiguity was seriously increased, thereby leading to low ductility and impact energy. Specimens in which both particle size and contiguity were simultaneously reduced by MA and two-step sintering and those having higher matrix fraction by partial MA were successfully fabricated. The dynamic test results indicated that the formation of adiabatic shear bands was expected because of the plastic localization at the central area of the gage section. Upon highspeed impact testing of these specimens, self-sharpening was promoted by the adiabatic shear band formation, but their penetration performance did not improve since much of kinetic energy of the penetrators was consumed for the microcrack formation due to interfacial debonding and cleavage fracture of tungsten particles. In order to improve penetration performance as well as to achieve selfsharpening by applying MA, conditions of MA and sintering process should be established so that alloy densification, particle refinement, and contiguity reduction can be simultaneously achieved.

Nanoscale interfacial defect shedding in a growing nematic droplet.

PubMed

Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

2017-08-01

Interfacial defect shedding is the most recent known mechanism for defect formation in a thermally driven isotropic-to-nematic phase transition. It manifests in nematic-isotropic interfaces going through an anchoring switch. Numerical computations in planar geometry established that a growing nematic droplet can undergo interfacial defect shedding, nucleating interfacial defect structures that shed into the bulk as +1/2 point defects. By extending the study of interfacial defect shedding in a growing nematic droplet to larger length and time scales, and to three dimensions, we unveil an oscillatory growth mode involving shape and anchoring transitions that results in a controllable regular distributions of point defects in planar geometry, and complex structures of disclination lines in three dimensions.

Long life hydrocarbon conversion catalyst and method of making

DOEpatents

Tonkovich, Anna Lee Y [Pasco, WA; Wang, Yong [Richland, WA; Gao, Yufei [Kennewick, WA

2002-11-12

The present invention includes a catalyst that has at least four layers, (1) porous support, (2) buffer layer, (3) interfacial layer, and optionally (4) catalyst layer. The buffer layer provides a transition of thermal expansion coefficient from the porous support to the interfacial layer thereby reducing thermal expansion stress as the catalyst is heated to high operating temperatures. The method of the present invention for making the at least three layer catalyst has the steps of (1) selecting a porous support, (2) solution depositing an interfacial layer thereon, and optionally (3) depositing a catalyst material onto the interfacial layer; wherein the improvement comprises (4) depositing a buffer layer between the porous support and the interfacial layer.

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.

A FUNCTIONAL RELATION FOR FIELD-SCALE NONAQUEOUS PHASE LIQUID DISSOLUTION DEVELOPED USING A PORE NETWORK MODEL. (R825689C080)

EPA Science Inventory

Abstract

A pore network model with cubic chambers and rectangular tubes was used to estimate the nonaqueous phase liquid (NAPL) dissolution rate coefficient, K_dissa_i, and NAPL/water total specific interfacial area, a_i

A FUNCTIONAL RELATION FOR FIELD-SCALE NONAQUEOUS PHASE LIQUID DISSOLUTION DEVELOPED USING A PORE NETWORK MODEL. (R825689C079)

EPA Science Inventory

Abstract

A pore network model with cubic chambers and rectangular tubes was used to estimate the nonaqueous phase liquid (NAPL) dissolution rate coefficient, K_dissa_i, and NAPL/water total specific interfacial area, a_i

Estimation of the fractional coverage of rainfall in climate models

NASA Technical Reports Server (NTRS)

Eltahir, E. A. B.; Bras, R. L.

1993-01-01

The fraction of the grid cell area covered by rainfall, mu, is an essential parameter in descriptions of land surface hydrology in climate models. A simple procedure is presented for estimating this fraction, based on extensive observations of storm areas and rainfall volumes. Storm area and rainfall volume are often linearly related; this relation can be used to compute the storm area from the volume of rainfall simulated by a climate model. A formula is developed for computing mu, which describes the dependence of the fractional coverage of rainfall on the season of the year, the geographical region, rainfall volume, and the spatial and temporal resolution of the model. The new formula is applied in computing mu over the Amazon region. Significant temporal variability in the fractional coverage of rainfall is demonstrated. The implications of this variability for the modeling of land surface hydrology in climate models are discussed.

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.

Interfacial Water-Transport Effects in Proton-Exchange Membranes

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

Kienitz, Brian; Yamada, Haruhiko; Nonoyama, Nobuaki

2009-11-19

It is well known that the proton-exchange membrane is perhaps the most critical component of a polymer-electrolyte fuel cell. Typical membranes, such as Nafion(R), require hydration to conduct efficiently and are instrumental in cell water management. Recently, evidence has been shown that these membranes might have different interfacial morphology and transport properties than in the bulk. In this paper, experimental data combined with theoretical simulations will be presented that explore the existence and impact of interfacial resistance on water transport for Nafion(R) 21x membranes. A mass-transfer coefficient for the interfacial resistance is calculated from experimental data using different permeation cells.more » This coefficient is shown to depend exponentially on relative humidity or water activity. The interfacial resistance does not seem to exist for liquid/membrane or membrane/membrane interfaces. The effect of the interfacial resistance is to flatten the water-content profiles within the membrane during operation. Under typical operating conditions, the resistance is on par with the water-transport resistance of the bulk membrane. Thus, the interfacial resistance can be dominant especially in thin, dry membranes and can affect overall fuel-cell performance.« less

Controlling Interfacial Separation in Porous Structures by Void Patterning

NASA Astrophysics Data System (ADS)

Ghareeb, Ahmed; Elbanna, Ahmed

Manipulating interfacial response for enhanced adhesion or fracture resistance is a problem of great interest to scientists and engineers. In many natural materials and engineering applications, an interface exists between a porous structure and a substrate. A question that arises is how the void distribution in the bulk may affect the interfacial response and whether it is possible to alter the interfacial toughness without changing the surface physical chemistry. In this paper, we address this question by studying the effect of patterning voids on the interfacial-to-the overall response of an elastic plate glued to a rigid substrate by bilinear cohesive material. Different patterning categories are investigated; uniform, graded, and binary voids. Each case is subjected to upward displacement at the upper edge of the plate. We show that the peak force and maximum elongation at failure depend on the voids design and by changing the void size, alignment or gradation we may control these performance measures. We relate these changes in the measured force displacement response to energy release rate as a measure of interfacial toughness. We discuss the implications of our results on design of bulk heterogeneities for enhanced interfacial behavior.

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.

Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale.

PubMed

Wang, Jianmei; Xia, Quanzhi; Ma, Yang; Meng, Fanning; Liang, Yinan; Li, Zhixiong

2017-09-25

To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under different Babbitt thicknesses was compared. The results show that the bonding energy of the interface with Sn as an intermediate layer is 10% larger than that of the interface without a Sn layer. The interfacial bonding performances of Babbitt and the steel body with Sn as an intermediate layer are better than those of an interface without a Sn layer. When the thickness of the Babbitt layer of bushing is 17.143 Å, the interfacial bonding energy reaches the maximum, and the interfacial bonding performance is optimum. These findings illustrate the bonding mechanism of the interfacial structure from the molecular level so as to ensure the good bonding properties of the interface, which provides a reference for the improvement of the bush manufacturing process from the microscopic point of view.

Intermetallic Growth and Interfacial Properties of the Grain Refiners in Al Alloys

PubMed Central

Li, Chunmei; Cheng, Nanpu; Chen, Zhiqian; Xie, Zhongjing; Hui, Liangliang

2018-01-01

Al3TM(TM = Ti, Zr, Hf, Sc) particles acting as effective grain refiners for Al alloys have been receiving extensive attention these days. In order to judge their nucleation behaviors, first-principles calculations are used to investigate their intermetallic and interfacial properties. Based on energy analysis, Al3Zr and Al3Sc are more suitable for use as grain refiners than the other two intermetallic compounds. Interfacial properties show that Al/Al3TM(TM = Ti, Zr, Hf, Sc) interfaces in I-ter interfacial mode exhibit better interface wetting effects due to larger Griffith rupture work and a smaller interface energy. Among these, Al/Al3Sc achieves the lowest interfacial energy, which shows that Sc atoms should get priority for occupying interfacial sites. Additionally, Sc-doped Al/Al3(Zr, Sc) interfacial properties show that Sc can effectively improve the Al/Al3(Zr, Sc) binding strength with the Al matrix. By combining the characteristics of interfaces with the properties of intermetallics, the core-shell structure with Al3Zr-core or Al3Zr(Sc1-1)-core encircled with an Sc-rich shell forms. PMID:29677155

Interfacial energetics of two-dimensional colloidal clusters generated with a tunable anharmonic interaction potential

NASA Astrophysics Data System (ADS)

Hilou, Elaa; Du, Di; Kuei, Steve; Biswal, Sibani Lisa

2018-02-01

Interfacial characteristics are critical to various properties of two-dimensional (2D) materials such as band alignment at a heterojunction and nucleation kinetics in a 2D crystal. Despite the desire to harness these enhanced interfacial properties for engineering new materials, unexpected phase transitions and defects, unique to the 2D morphology, have left a number of open questions. In particular, the effects of configurational anisotropy, which are difficult to isolate experimentally, and their influence on interfacial properties are not well understood. In this work, we begin to probe this structure-thermodynamic relationship, using a rotating magnetic field to generate an anharmonic interaction potential in a 2D system of paramagnetic particles. At low magnetic field strengths, weakly interacting colloidal particles form non-close-packed, fluidlike droplets, whereas, at higher field strengths, crystallites with hexagonal ordering are observed. We examine spatial and interfacial properties of these 2D colloidal clusters by measuring the local bond orientation order parameter and interfacial stiffness as a function of the interaction strength. To our knowledge, this is the first study to measure the tunable interfacial stiffness of a 2D colloidal cluster by controlling particle interactions using external fields.

Giant interfacial perpendicular magnetic anisotropy in Fe/CuIn 1 -xGaxSe2 beyond Fe/MgO

NASA Astrophysics Data System (ADS)

Masuda, Keisuke; Kasai, Shinya; Miura, Yoshio; Hono, Kazuhiro

2017-11-01

We study interfacial magnetocrystalline anisotropies in various Fe/semiconductor heterostructures by means of first-principles calculations. We find that many of those systems show perpendicular magnetic anisotropy (PMA) with a positive value of the interfacial anisotropy constant Ki. In particular, the Fe/CuInSe 2 interface has a large Ki of ˜2.3 mJ /m2 , which is about 1.6 times larger than that of Fe/MgO known as a typical system with relatively large PMA. We also find that the values of Ki in almost all the systems studied in this work follow the well-known Bruno's relation, which indicates that minority-spin states around the Fermi level provide dominant contributions to the interfacial magnetocrystalline anisotropies. Detailed analyses of the local density of states and wave-vector-resolved anisotropy energy clarify that the large Ki in Fe/CuInSe 2 is attributed to the preferable 3 d -orbital configurations around the Fermi level in the minority-spin states of the interfacial Fe atoms. Moreover, we have shown that the locations of interfacial Se atoms are the key for such orbital configurations of the interfacial Fe atoms.

Geometric confinement influences cellular mechanical properties I -- adhesion area dependence.

PubMed

Su, Judith; Jiang, Xingyu; Welsch, Roy; Whitesides, George M; So, Peter T C

2007-06-01

Interactions between the cell and the extracellular matrix regulate a variety of cellular properties and functions, including cellular rheology. In the present study of cellular adhesion, area was controlled by confining NIH 3T3 fibroblast cells to circular micropatterned islands of defined size. The shear moduli of cells adhering to islands of well defined geometry, as measured by magnetic microrheometry, was found to have a significantly lower variance than those of cells allowed to spread on unpatterned surfaces. We observe that the area of cellular adhesion influences shear modulus. Rheological measurements further indicate that cellular shear modulus is a biphasic function of cellular adhesion area with stiffness decreasing to a minimum value for intermediate areas of adhesion, and then increasing for cells on larger patterns. We propose a simple hypothesis: that the area of adhesion affects cellular rheological properties by regulating the structure of the actin cytoskeleton. To test this hypothesis, we quantified the volume fraction of polymerized actin in the cytosol by staining with fluorescent phalloidin and imaging using quantitative 3D microscopy. The polymerized actin volume fraction exhibited a similar biphasic dependence on adhesion area. Within the limits of our simplifying hypothesis, our experimental results permit an evaluation of the ability of established, micromechanical models to predict the cellular shear modulus based on polymerized actin volume fraction. We investigated the "tensegrity", "cellular-solids", and "biopolymer physics" models that have, respectively, a linear, quadratic, and 5/2 dependence on polymerized actin volume fraction. All three models predict that a biphasic trend in polymerized actin volume fraction as a function of adhesion area will result in a biphasic behavior in shear modulus. Our data favors a higher-order dependence on polymerized actin volume fraction. Increasingly better experimental agreement is observed for the tensegrity, the cellular solids, and the biopolymer models respectively. Alternatively if we postulate the existence of a critical actin volume fraction below which the shear modulus vanishes, the experimental data can be equivalently described by a model with an almost linear dependence on polymerized actin volume fraction; this observation supports a tensegrity model with a critical actin volume fraction.

USING MOLECULAR PROBES TO STUDY INTERFACIAL REDOX REACTION AT FE-BEARING SMECTITES

EPA Science Inventory

The interfacial electron transfer of clay-water systems has a wide range of significance in geochemical and biogeochernical environments. However the mechanism of interfacial electron transport is poorly understood. The electron transfer mechanism at the solid-water interfaces of...

Adsorption of the natural protein surfactant Rsn-2 onto liquid interfaces.

PubMed

Brandani, Giovanni B; Vance, Steven J; Schor, Marieke; Cooper, Alan; Kennedy, Malcolm W; Smith, Brian O; MacPhee, Cait E; Cheung, David L

2017-03-22

To stabilize foams, droplets and films at liquid interfaces a range of protein biosurfactants have evolved in nature. Compared to synthetic surfactants, these combine surface activity with biocompatibility and low solution aggregation. One recently studied example is Rsn-2, a component of the foam nest of the frog Engystomops pustulosus, which has been predicted to undergo a clamshell-like opening transition at the air-water interface. Using atomistic molecular dynamics simulations and surface tension measurements we study the adsorption of Rsn-2 onto air-water and cyclohexane-water interfaces. The protein adsorbs readily at both interfaces, with adsorption mediated by the hydrophobic N-terminus. At the cyclohexane-water interface the clamshell opens, due to the favourable interaction between hydrophobic residues and cyclohexane molecules and the penetration of cyclohexane molecules into the protein core. Simulations of deletion mutants showed that removal of the N-terminus inhibits interfacial adsorption, which is consistent with the surface tension measurements. Deletion of the hydrophilic C-terminus also affects adsorption, suggesting that this plays a role in orienting the protein at the interface. The characterisation of the interfacial behaviour gives insight into the factors that control the interfacial adsorption of proteins, which may inform new applications of this and similar proteins in areas including drug delivery and food technology and may also be used in the design of synthetic molecules showing similar changes in conformation at interfaces.

A study of fiber volume fraction effects in notched unidirectional SCS-6/Ti-15V-3Cr-3Al-3Sn composite. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Covey, Steven J.

1993-01-01

Notched unidirectional SCS-6/Ti-15-3 composite of three different fiber volume fractions (vf = 0.15, 0.37, and 0.41) was investigated for various room temperature microstructural and material properties including: fatigue crack initiation, fatigue crack growth, and fracture toughness. While the matrix hardness is similar for all fiber volume fractions, the fiber/matrix interfacial shear strength and matrix residual stress increases with fiber volume fraction. The composite fatigue crack initiation stress is shown to be matrix controlled and occurs when the net maximum matrix stress approaches the endurance limit stress of the matrix. A model is presented which includes residual stresses and presents the composite initiation stress as a function of fiber volume fraction. This model predicts a maximum composite initiation stress at vf approximately 0.15 which agrees with the experimental data. The applied composite stress levels were increased as necessary for continued crack growth. The applied Delta(K) values at crack arrest increase with fiber volume fraction by an amount better approximated using an energy based formulation rather than when scaled linear with modulus. After crack arrest, the crack growth rate exponents for vf37 and vf41 were much lower and toughness much higher, when compared to the unreinforced matrix, because of the bridged region which parades with the propagating fatigue crack. However, the vf15 material exhibited a higher crack growth rate exponent and lower toughness than the unreinforced matrix because once the bridged fibers nearest the crack mouth broke, the stress redistribution broke all bridged fibers, leaving an unbridged crack. Degraded, unbridged behavior is modeled using the residual stress state in the matrix ahead of the crack tip. Plastic zone sizes were directly measured using a metallographic technique and allow prediction of an effective matrix stress intensity which agrees with the fiber pressure model if residual stresses are considered. The sophisticated macro/micro finite element models of the 0.15 and 0.37 fiber volume fractions presented show good agreement with experimental data and the fiber pressure model when an estimated effective fiber/matrix debond length is used.

The propagation of light through fibre reinforced composites

NASA Astrophysics Data System (ADS)

Sargent, J. P.; Upstill, C.

1986-06-01

Features of a generalized technique for detecting and measuring submicron gaps between the fiber and the matrix in low fiber-volume fraction composite materials are outlined. Sample microphotographs are provided to illustrate visual evidence of the presence of water and air pockets at the fiber-matrix interface, and the differences in refractive index of composite material components and impurities such as oils. The imagery were obtained using a laser to illumine glass fiber reinforced epoxy samples. Attention is given to the geometric optics, evanescent wave optics and polarization effects associated with interfacial gaps. Finally, the scattering of light by the gaps and the corresponding size of the gaps are described statistically in terms of Rayleigh's theory, noting that only estimates will be possible for the scattering due to limitations of available computing power.

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.

Recent Advances in Colloidal and Interfacial Phenomena Involving Liquid Crystals

PubMed Central

Bai, Yiqun; Abbott, Nicholas L.

2011-01-01

This article describes recent advances in several areas of research involving the interfacial ordering of liquid crystals (LCs). The first advance revolves around the ordering of LCs at bio/chemically functionalized surfaces. Whereas the majority of past studies of surface-induced ordering of LCs have involved surfaces of solids that present a limited diversity of chemical functional groups (surfaces at which van der Waals forces dominate surface-induced ordering), recent studies have moved to investigate the ordering of LCs on chemically complex surfaces. For example, surfaces decorated with biomolecules (e.g. oligopeptides and proteins) and transition metal ions have been investigated, leading to an understanding of the roles that metal-ligand coordination interactions, electrical double-layers, acid-base interactions, and hydrogen bonding can have on the interfacial ordering of LCs. The opportunity to create chemically-responsive LCs capable of undergoing ordering transitions in the presence of targeted molecular events (e.g., ligand exchange around a metal center) has emerged from these fundamental studies. A second advance has focused on investigations of the ordering of LCs at interfaces with immiscible isotropic fluids, particularly water. In contrast to prior studies of surface-induced ordering of LCs on solid surfaces, LC- aqueous interfaces are deformable and molecules at these interfaces exhibit high levels of mobility and thus can reorganize in response to changes in interfacial environment. A range of fundamental investigations involving these LC-aqueous interfaces have revealed that (i) the spatial and temporal characteristics of assemblies formed from biomolecular interactions can be reported by surface-driven ordering transitions in the LCs, (ii) the interfacial phase behaviour of molecules and colloids can be coupled to (and manipulated via) the ordering (and nematic elasticity) of LCs, and (iii) confinement of LCs leads to unanticipated size-dependent ordering (particularly in the context of LC emulsion droplets). The third and final advance addressed in this article involves interactions between colloids mediated by LCs. Recent experiments involving microparticles deposited at the LC-aqueous interface have revealed that LC-mediated interactions can drive interfacial assemblies of particles through reversible ordering transitions (e.g., from one-dimensional chains to two-dimensional arrays with local hexagonal symmetry). In addition, recent single nanoparticle measurements suggest that the ordering of LCs about nanoparticles differs substantially from micrometer-sized particles and that the interactions between nanoparticles mediated by the LCs are far weaker than predicted by theory (sufficiently weak that the interactions are reversible and thus enable self-assembly). Finally, LC-mediated interactions between colloidal particles have also been shown to lead to the formation of colloid-in-LC gels that possess mechanical properties relevant to the design of materials to interface with living biological systems. Overall, these three topics serve to illustrate the broad opportunities that exist to do fundamental interfacial science and discovery-oriented research involving LCs. PMID:21090596

Discovering the Role of Grain Boundary Complexions in Materials

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

Harmer, Martin P.

Grain boundaries are inherently an area of disorder in polycrystalline materials which define the transport and various other material properties. The relationship between the interfacial chemistry, structure and the material properties is not well understood. Among the various taxonomies for grain boundaries, Grain Boundary Complexion is a relatively new conceptual scheme that relates the structure and kinetic properties of grain boundaries. In this classification scheme, grain boundaries are considered to be distinct three dimensional (the thickness being considerably smaller as compared to the other two dimensions but nonetheless discernible) equilibrium thermodynamic phases abutted between two crystalline phases. The stability andmore » structure of these interfacial phases are dictated by various thermodynamic variables such as temperature, stress (pressure), interfacial chemistry (chemical potential) and most importantly by the energies of the adjoining crystal surfaces. These phases are only stable within the constraint of the adjoining grains. Although these interfacial phases are not stable in bulk form, they can transform from one complexion to another as a function of various thermodynamic variables analogous to the behavior of bulk phases. Examples of different complexions have been reported in various publications. However, a systematic investigation exploring the existence of grain boundary complexions in material systems other than alumina remains to be done. Although the role of interfacial chemistry on grain boundary complexions in alumina has been addressed, a clear understanding of the underlying thermodynamics governing complexion formation is lacking. Finally, the effects of grain boundary complexions in bulk material properties are widely unknown. Factors above urge a thorough exploration of grain boundary complexions in a range of different materials systems The purpose of the current program is to verify the existence of grain boundary complexion in a range of materials systems, and to characterize their structures, range of stability and selected physical properties. First, an Au-based bilayer interfacial phase was discovered at a bicrystal boundary in the Si-Au system. This bilayer transitioned abruptly to an intrinsic (“clean”) grain boundary phase, suggesting first-order phase behavior. This study represents the discovery of grain boundary complexions in a completely new system, i.e., a semiconductor-metal system, giving further support to the expectation that grain boundary complexions are a general phenomenon not limited to any particular class of materials. The TiO 2-CuO system exhibited four grain boundary interfacial phases: a monolayer, disordered bilayer, disordered trilayer, and non-wetting nanoscale amorphous drop (which likely resulted from dewetting of a nanoscale IGF). SiO 2 contamination was discovered in the TiO 2-CuO samples, and we hypothesize that this impurity may have caused an “order-disorder” transition to occur. In other words, we expect that pure TiO 2-CuO may have a higher tendency to exhibit ordered bilayer and trilayer complexions, which may also exhibit a well-defined order-disorder transition temperature. In this effort we have also identified unique complexion transitions in yttria and strontium titanate.« less

Atomic Force Microscopy Nanomechanical Mapping Visualizes Interfacial Broadening between Networks Due to Chemical Exchange Reactions.

PubMed

He, Changfei; Shi, Shaowei; Wu, Xuefei; Russell, Thomas P; Wang, Dong

2018-06-06

The interfacial broadening between two different epoxy networks having different moduli was nanomechanically mapped. The interfacial broadening of the two networks produced an interfacial zone having a gradient in the concentration and, hence, properties of the original two networks. This interfacial broadening of the networks leads to the generation of a new network with a segmental composition corresponding to a mixture of the original two network segments. The intermixing of the two, by nature of the exchange reactions, was on the segmental level. By mapping the time dependence of the variation in the modulus at different temperatures, the kinetics of the exchange reaction was measured and, by varying the temperature, the activation energy of the exchange reaction was determined.

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.

A biomimetic approach to enhancing interfacial interactions: polydopamine-coated clay as reinforcement for epoxy resin.

PubMed

Yang, Liping; Phua, Si Lei; Teo, Jun Kai Herman; Toh, Cher Ling; Lau, Soo Khim; Ma, Jan; Lu, Xuehong

2011-08-01

A facile biomimetic method was developed to enhance the interfacial interaction in polymer-layered silicate nanocomposites. By mimicking mussel adhesive proteins, a monolayer of polydopamine was constructed on clay surface by a controllable coating method. The modified clay (D-clay) was incorporated into an epoxy resin, it is found that the strong interfacial interactions brought by the polydopamine benefits not only the dispersion of the D-clay in the epoxy but also the effective interfacial stress transfer, leading to greatly improved thermomechanical properties at very low inorganic loadings. Rheological and infrared spectroscopic studies show that the interfacial interactions between the D-clay and epoxy are dominated by the hydrogen bonds between the catechol-enriched polydopamine and the epoxy.

Comparative study of fractional CO2 laser and fractional CO2 laser-assisted drug delivery of topical steroid and topical vitamin C in macular amyloidosis.

PubMed

Sobhi, Rehab Mohamed; Sharaoui, Iman; El Nabarawy, Eman Ahmad; El Nemr Esmail, Reham Shehab; Hegazy, Rehab Aly; Aref, Dina Hesham Fouad

2018-05-01

Macular amyloidosis (MA) represents a common variant of primary localized cutaneous amyloidosis. It has a characteristic female predominance; none of the treatment modalities described is either curative or uniformly effective in patients with macular amyloidosis. To determine the effect of fractional CO 2 laser in macular amyloidosis in comparison to fractional CO 2 laser-assisted drug delivery of topical steroids and topical vitamin C, the study includes 10 female patients with cutaneous macular amyloidosis aged between 20 and 62 years. Patients were treated with four sessions of fractional CO 2 laser with 4 weeks interval. Laser treatments were performed using fractional CO 2 laser with the following parameters (power 18 W, spacing 800 μm, dwell time 600 μs, stacking 3). The lesion is divided into three areas: area 1, treated by fractional laser only; area 2, treated by fractional laser followed by topical corticosteroid application under occlusion for 24 h; and area 3, treated by fractional laser followed by topical vitamin C serum application under occlusion for 24 h. All lesions were examined clinically and histologically before the therapy and 1 month after the end of the therapy to evaluate the degree of improvement. All treated areas show significant decrease in pigmentation score after treatment, significant drop in rippling (P value < 0.016), and improvement of lichenification; as regards the histological improvement, there was a significant decrease of the amyloid amount after treatment. As regards the amyloid amount, results show significant decrease in the amount of amyloid in all of the three treated areas. Area 2 reported the highest decrease in the amyloid amount followed by areas 1 and 3. One patient (10%) was highly satisfied by the treatment, 6 (60%) reported moderate degree of satisfaction, while only 3 (30%) reported mild satisfaction. Minimal complication occurred in the form of post-inflammatory hyperpigmentation in 1 patient. None of the patients suffered pain, ulceration, or infection. Fractional CO 2 alone can be used to improve the texture of macular amyloidosis. If used to assist the delivery of topical steroids and topical vitamin C, improvement can be highly increased.

Direct observation of interfacial Au atoms on TiO₂ in three dimensions.

PubMed

Gao, Wenpei; Sivaramakrishnan, Shankar; Wen, Jianguo; Zuo, Jian-Min

2015-04-08

Interfacial atoms, which result from interactions between the metal nanoparticles and support, have a large impact on the physical and chemical properties of nanoparticles. However, they are difficult to observe; the lack of knowledge has been a major obstacle toward unraveling their role in chemical transformations. Here we report conclusive evidence of interfacial Au atoms formed on the rutile (TiO2) (110) surfaces by activation using high-temperature (∼500 °C) annealing in air. Three-dimensional imaging was performed using depth-sectioning enabled by aberration-corrected scanning transmission electron microscopy. Results show that the interface between Au nanocrystals and TiO2 (110) surfaces consists of a single atomic layer with Au atoms embedded inside Ti-O. The number of interfacial Au atoms is estimated from ∼1-8 in an interfacial atomic column. Direct impact of interfacial Au atoms is observed on an enhanced Au-TiO2 interaction and the reduction of surface TiO2; both are critical to Au catalysis.

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.

Methods for estimating properties of hydrocarbons comprising asphaltenes based on their solubility

DOEpatents

Schabron, John F.; Rovani, Jr., Joseph F.

2016-10-04

Disclosed herein is a method of estimating a property of a hydrocarbon comprising the steps of: preparing a liquid sample of a hydrocarbon, the hydrocarbon having asphaltene fractions therein; precipitating at least some of the asphaltenes of a hydrocarbon from the liquid sample with one or more precipitants in a chromatographic column; dissolving at least two of the different asphaltene fractions from the precipitated asphaltenes during a successive dissolution protocol; eluting the at least two different dissolved asphaltene fractions from the chromatographic column; monitoring the amount of the fractions eluted from the chromatographic column; using detected signals to calculate a percentage of a peak area for a first of the asphaltene fractions and a peak area for a second of the asphaltene fractions relative to the total peak areas, to determine a parameter that relates to the property of the hydrocarbon; and estimating the property of the hydrocarbon.

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.

Insights into the role of protein molecule size and structure on interfacial properties using designed sequences

PubMed Central

Dwyer, Mirjana Dimitrijev; He, Lizhong; James, Michael; Nelson, Andrew; Middelberg, Anton P. J.

2013-01-01

Mixtures of a large, structured protein with a smaller, unstructured component are inherently complex and hard to characterize at interfaces, leading to difficulties in understanding their interfacial behaviours and, therefore, formulation optimization. Here, we investigated interfacial properties of such a mixed system. Simplicity was achieved using designed sequences in which chemical differences had been eliminated to isolate the effect of molecular size and structure, namely a short unstructured peptide (DAMP1) and its longer structured protein concatamer (DAMP4). Interfacial tension measurements suggested that the size and bulk structuring of the larger molecule led to much slower adsorption kinetics. Neutron reflectometry at equilibrium revealed that both molecules adsorbed as a monolayer to the air–water interface (indicating unfolding of DAMP4 to give a chain of four connected DAMP1 molecules), with a concentration ratio equal to that in the bulk. This suggests the overall free energy of adsorption is equal despite differences in size and bulk structure. At small interfacial extensional strains, only molecule packing influenced the stress response. At larger strains, the effect of size became apparent, with DAMP4 registering a higher stress response and interfacial elasticity. When both components were present at the interface, most stress-dissipating movement was achieved by DAMP1. This work thus provides insights into the role of proteins' molecular size and structure on their interfacial properties, and the designed sequences introduced here can serve as effective tools for interfacial studies of proteins and polymers. PMID:23303222

Numerical simulation of the nanoparticle diameter effect on the thermal performance of a nanofluid in a cooling chamber

NASA Astrophysics Data System (ADS)

Ghafouri, A.; Pourmahmoud, N.; Jozaei, A. F.

2017-03-01

The thermal performance of a nanofluid in a cooling chamber with variations of the nanoparticle diameter is numerically investigated. The chamber is filled with water and nanoparticles of alumina (Al2O3). Appropriate nanofluid models are used to approximate the nanofluid thermal conductivity and dynamic viscosity by incorporating the effects of the nanoparticle concentration, Brownian motion, temperature, nanoparticles diameter, and interfacial layer thickness. The horizontal boundaries of the square domain are assumed to be insulated, and the vertical boundaries are considered to be isothermal. The governing stream-vorticity equations are solved by using a secondorder central finite difference scheme coupled with the mass and energy conservation equations. The results of the present work are found to be in good agreement with the previously published data for special cases. This study is conducted for the Reynolds number being fixed at Re = 100 and different values of the nanoparticle volume fraction, Richardson number, nanofluid temperature, and nanoparticle diameter. The results show that the heat transfer rate and the Nusselt number are enhanced by increasing the nanoparticle volume fraction and decreasing the Richardson number. The Nusselt number also increases as the nanoparticle diameter decreases.

Surface Properties of PEMFC Gas Diffusion Layers

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

WoodIII, David L; Rulison, Christopher; Borup, Rodney

2010-01-01

The wetting properties of PEMFC Gas Diffusion Layers (GDLs) were quantified by surface characterization measurements and modeling of material properties. Single-fiber contact-angle and surface energy (both Zisman and Owens-Wendt) data of a wide spectrum of GDL types is presented to delineate the effects of hydrophobic post-processing treatments. Modeling of the basic sessile-drop contact angle demonstrates that this value only gives a fraction of the total picture of interfacial wetting physics. Polar forces are shown to contribute 10-20 less than dispersive forces to the composite wetting of GDLs. Internal water contact angles obtained from Owens-Wendt analysis were measured at 13-19 highermore » than their single-fiber counterparts. An inverse relationship was found between internal contact angle and both Owens-Wendt surface energy and % polarity of the GDL. The most sophisticated PEMFC mathematical models use either experimentally measured capillary pressures or the standard Young-Laplace capillary-pressure equation. Based on the results of the Owens-Wendt analysis, an advancement to the Young-Laplace equation is proposed for use in these mathematical models, which utilizes only solid surface energies and fractional surface coverage of fluoropolymer. Capillary constants for the spectrum of analyzed GDLs are presented for the same purpose.« less

Liquid Metal Infiltration Processing of Metallic Composites: A Critical Review

NASA Astrophysics Data System (ADS)

Sree Manu, K. M.; Ajay Raag, L.; Rajan, T. P. D.; Gupta, Manoj; Pai, B. C.

2016-10-01

Metal matrix composites (MMC) are one of the advanced materials widely used for aerospace, automotive, defense, and general engineering applications. MMC can be tailored to have superior properties such as enhanced high-temperature performance, high specific strength and stiffness, increased wear resistance, better thermal and mechanical fatigue, and creep resistance than those of unreinforced alloys. To fabricate such composites with ideal properties, the processing technique has to ensure high volume fraction of reinforcement incorporation, uniform distribution of the reinforcement, and acceptable adhesion between the matrix and the reinforcing phase without unwanted interfacial reactions which degrades the mechanical properties. A number of processing techniques such as stir casting/vortex method, powder metallurgy, infiltration, casting etc. have been developed to synthesize MMC employing a variety of alloy and the reinforcement's combinations. Among these, infiltration process is widely used for making MMC with high volume fraction of reinforcements and offers many more advantages compared to other conventional manufacturing processes. The present paper critically reviews the various infiltration techniques used for making the MMC, their process parameters, characteristics, and selected studies carried out worldwide and by authors on the development of metal ceramic composites by squeeze infiltration process.

Early Fractions Learning of 3rd Grade Students in SD Laboratorium Unesa

ERIC Educational Resources Information Center

Sari, Elisabet Ayunika Permata; Juniati, Dwi; Patahudin, Sitti Maesuri

2012-01-01

Fractions varied meanings is one of the causes of difficulties in learning fractions. These students should be given greater opportunities to explore the meaning of fractions before they learn the relationship between fractions and operations on fractions. Although students shading an area represents a fraction, it does not mean they really…

Vegetation spatial variability and its effect on vegetation indices

NASA Technical Reports Server (NTRS)

Ormsby, J. P.; Choudhury, B. J.; Owe, M.

1987-01-01

Landsat MSS data were used to simulate low resolution satellite data, such as NOAA AVHRR, to quantify the fractional vegetation cover within a pixel and relate the fractional cover to the normalized difference vegetation index (NDVI) and the simple ratio (SR). The MSS data were converted to radiances from which the NDVI and SR values for the simulated pixels were determined. Each simulated pixel was divided into clusters using an unsupervised classification program. Spatial and spectral analysis provided a means of combining clusters representing similar surface characteristics into vegetated and non-vegetated areas. Analysis showed an average error of 12.7 per cent in determining these areas. NDVI values less than 0.3 represented fractional vegetated areas of 5 per cent or less, while a value of 0.7 or higher represented fractional vegetated areas greater than 80 per cent. Regression analysis showed a strong linear relation between fractional vegetation area and the NDVI and SR values; correlation values were 0.89 and 0.95 respectively. The range of NDVI values calculated from the MSS data agrees well with field studies.

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.

Effect of interfacial oxide layers on the current-voltage characteristics of Al-Si contacts

NASA Technical Reports Server (NTRS)

Porter, W. A.; Parker, D. L.

1976-01-01

Aluminum-silicon contacts with very thin interfacial oxide layers and various surface impurity concentrations are studied for both n and p-type silicon. To determine the surface impurity concentrations on p(+)-p and n(+)-n structures, a modified C-V technique was utilized. Effects of interfacial oxide layers and surface impurity concentrations on current-voltage characteristics are discussed based on the energy band diagrams from the conductance-voltage plots. The interfacial oxide and aluminum layer causes image contrasts on X-ray topographs.

Highly efficient organic light-emitting diodes with a quantum dot interfacial layer.

PubMed

Ryu, Seung Yoon; Hwang, Byoung Har; Park, Ki Wan; Hwang, Hyeon Seok; Sung, Jin Woo; Baik, Hong Koo; Lee, Chang Ho; Song, Seung Yong; Lee, Jun Yeob

2009-02-11

Advanced organic light-emitting diodes (OLEDs), based on a multiple structure, were achieved in combination with a quantum dot (QD) interfacial layer. The authors used core/shell CdSe/ZnS QDs passivated with trioctylphosphine oxide (TOPO) and TOPO-free QDs as interlayers. Multiple-structure OLEDs (MOLEDs) with TOPO-free QDs showed higher device efficiency because of a well-defined interfacial monolayer formation. Additionally, the three-unit MOLED showed high performance for device efficiency with double-structured QD interfacial layers due to the enhanced charge balance and recombination probability.

Determination of interfacial adhesion strength between oxide scale and substrate for metallic SOFC interconnects

NASA Astrophysics Data System (ADS)

Sun, X.; Liu, W. N.; Stephens, E.; Khaleel, M. A.

The interfacial adhesion strength between the oxide scale and the substrate is crucial to the reliability and durability of metallic interconnects in solid oxide fuel cell (SOFC) operating environments. It is necessary, therefore, to establish a methodology to quantify the interfacial adhesion strength between the oxide scale and the metallic interconnect substrate, and furthermore to design and optimize the interconnect material as well as the coating materials to meet the design life of an SOFC system. In this paper, we present an integrated experimental/analytical methodology for quantifying the interfacial adhesion strength between the oxide scale and a ferritic stainless steel interconnect. Stair-stepping indentation tests are used in conjunction with subsequent finite element analyses to predict the interfacial strength between the oxide scale and Crofer 22 APU substrate.

What Can Interfacial Water Molecules Tell Us About Solute Structure?

NASA Astrophysics Data System (ADS)

Willard, Adam

The molecular structure of bulk liquid water reflects a molecular tendency to engage in tetrahedrally coordinated hydrogen bonding. At a solute interface waters preferred three-dimensional hydrogen bonding network must conform to a locally anisotropy interfacial environment. Interfacial water molecules adopt configurations that balance water-solute and water-water interactions. The arrangements of interfacial water molecules, therefore encode information about the effective solute-water interactions. This solute-specific information is difficult to extract, however, because interfacial structure also reflects waters collective response to an anisotropic hydrogen bonding environment. Here I present a methodology for characterizing the molecular-level structure of liquid water interface from simulation data. This method can be used to explore waters static and/or dynamic response to a wide range of chemically and topologically heterogeneous solutes such as proteins.

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

Enhancement in the interfacial perpendicular magnetic anisotropy and the voltage-controlled magnetic anisotropy by heavy metal doping at the Fe/MgO interface

NASA Astrophysics Data System (ADS)

Nozaki, Takayuki; Yamamoto, Tatsuya; Tamaru, Shingo; Kubota, Hitoshi; Fukushima, Akio; Suzuki, Yoshishige; Yuasa, Shinji

2018-02-01

We investigated the influence of heavy metal doping at the Fe/MgO interface on the interfacial perpendicular magnetic anisotropy (PMA) and the voltage-controlled magnetic anisotropy (VCMA) in magnetic tunnel junctions prepared by sputtering-based deposition. The interfacial PMA was increased by tungsten doping and a maximum intrinsic interfacial PMA energy, Ki,0 of 2.0 mJ/m2 was obtained. Ir doping led to a large increase in the VCMA coefficient by a factor of 4.7 compared with that for the standard Fe/MgO interface. The developed technique provides an effective approach to enhancing the interfacial PMA and VCMA properties in the development of voltage-controlled spintronic devices.

Sound-induced Interfacial Dynamics in a Microfluidic Two-phase Flow

NASA Astrophysics Data System (ADS)

Mak, Sze Yi; Shum, Ho Cheung

2014-11-01

Retrieving sound wave by a fluidic means is challenging due to the difficulty in visualizing the very minute sound-induced fluid motion. This work studies the interfacial response of multiphase systems towards fluctuation in the flow. We demonstrate a direct visualization of music in the form of ripples at a microfluidic aqueous-aqueous interface with an ultra-low interfacial tension. The interface shows a passive response to sound of different frequencies with sufficiently precise time resolution, enabling the recording of musical notes and even subsequent reconstruction with high fidelity. This suggests that sensing and transmitting vibrations as tiny as those induced by sound could be realized in low interfacial tension systems. The robust control of the interfacial dynamics could be adopted for droplet and complex-fiber generation.

Asymmetrical interfacial reactions of Ni/SAC101(NiIn)/Ni solder joint induced by current stressing

NASA Astrophysics Data System (ADS)

Lin, Chen-Yi; Chiu, Tsung-Chieh; Lin, Kwang-Lung

2018-03-01

An electric current can asymmetrically trigger either atomic migration or interfacial reactions between a cathode and an anode. The present study investigated the dissolution of metallization and formation of an interfacial intermetallic compound (IMC) in the Cu/Ni/Sn1.0Ag0.1Cu0.02Ni0.05In/Ni/Cu solder joint at various current densities in the order of 103 A/cm2 at temperatures ranging from 100 °C to 150 °C. The polarization behavior of Ni dissolution and IMC formation under current stressing were systematically investigated. The asymmetrical interfacial reactions of the solder joint were found to be greatly influenced by ambient temperature. The dissolution of Ni and its effect on interfacial IMC formation were also discussed.

Effect of ionic strength on the interfacial viscoelasticity and stability of silk fibroin at the oil/water interface.

PubMed

Tang, Xiaoxiao; Qiao, Xiuying; Miller, Reinhard; Sun, Kang

2016-12-01

The amphiphilic character and surface activity endows silk fibroin with the ability to reside at fluid interfaces and effectively stabilize emulsions. However, the influence of relevant factors and their actual effect on the interfacial viscoelasticity and stability of silk fibroin at the oil/water interface has received less attention. In the present study, the effect of ionic strength on the interfacial viscoelasticity, emulsification effectiveness and stability of silk fibroin at the oil/water interface was investigated in detail. A higher ion concentration facilitates greater adsorption, stronger molecular interaction and faster structure reorganization of silk fibroin at the oil/water interface, thus causing quicker interfacial saturation adsorption, greater interfacial strength and lower interfacial structural fracture on large deformation. However, the presence of concentrated ions screens the charges in silk fibroin molecules and the zeta potential decreases as a result of electrostatic screening and ion-binding effects, which may result in emulsion droplet coalescence and a decrease in emulsion stability. The positively-charged ions significantly affect the interfacial elasticity and stability of silk fibroin layers at the oil/water interface as a result of the strong electrostatic interactions between counter-ions and the negatively-charged groups of silk fibroin. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Aerosol Particle Interfacial Thermodynamics and Phase Partitioning Measurements Using Biphasic Microfluidics

NASA Astrophysics Data System (ADS)

Dutcher, Cari; Metcalf, Andrew

2015-03-01

Secondary organic aerosol particles are nearly ubiquitous in the atmosphere and yet there remain large uncertainties in their formation processes and ambient properties. These particles are complex microenvironments, which can contain multiple interfaces due to internal aqueous-organic phase partitioning and to the external liquid-vapor surface. Interfacial properties affect the ambient aerosol morphology, or internal structure of the particle, which in turn can affect the way a particle interacts with an environment of condensable clusters and organic vapors. To improve our ability to accurately predict ambient aerosol morphology, we must improve our knowledge of aerosol interfaces and their interactions with the ambient environment. Unfortunately, many techniques employed to measure interfacial properties do so in bulk solutions or in the presence of a ternary (e.g. solid) phase. In this talk, a novel method using biphasic microscale flows will be introduced for generating, trapping, and perturbing complex interfaces at atmospherically relevant conditions. These microfluidic experiments utilize high-speed imaging to monitor interfacial phenomena at the microscale and are performed with phase contrast and fluorescence microscopy on a temperature-controlled inverted microscope stage. From these experiments, interfacial thermodynamic properties such as surface or interfacial tension, rheological properties such as interfacial moduli, and kinetic properties such as mass transfer coefficients can be measured or inferred.

Interfacial Bonding Energy on the Interface between ZChSnSb/Sn Alloy Layer and Steel Body at Microscale

PubMed Central

Xia, Quanzhi; Ma, Yang; Meng, Fanning; Liang, Yinan; Li, Zhixiong

2017-01-01

To investigate the performance of bonding on the interface between ZChSnSb/Sn and steel body, the interfacial bonding energy on the interface of a ZChSnSb/Sn alloy layer and the steel body with or without Sn as an intermediate layer was calculated under the same loadcase using the molecular dynamics simulation software Materials Studio by ACCELRYS, and the interfacial bonding energy under different Babbitt thicknesses was compared. The results show that the bonding energy of the interface with Sn as an intermediate layer is 10% larger than that of the interface without a Sn layer. The interfacial bonding performances of Babbitt and the steel body with Sn as an intermediate layer are better than those of an interface without a Sn layer. When the thickness of the Babbitt layer of bushing is 17.143 Å, the interfacial bonding energy reaches the maximum, and the interfacial bonding performance is optimum. These findings illustrate the bonding mechanism of the interfacial structure from the molecular level so as to ensure the good bonding properties of the interface, which provides a reference for the improvement of the bush manufacturing process from the microscopic point of view. PMID:28946690

Nanoparticle cages for enzyme catalysis in organic media.

PubMed

Wu, Changzhu; Bai, Shuo; Ansorge-Schumacher, Marion B; Wang, Dayang

2011-12-15

Encapsulation of enzymes in Pickering emulsions results in a large interfacial area of the enzyme-containing aqueous phase for biocatalysis in organic media. This immobilization technique minimizes enzyme inactivation through stabilizing immiscible liquids by particles, facilitates separation processes, and significantly increases catalytic performance of both stable and vulnerable enzymes. Thus, a broad technical applicability can be envisioned. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Procurement of a Large Area Mapping FTIR Microscope for Organic-Inorganic Interfacial Analysis in Biological Materials

DTIC Science & Technology

2015-12-31

biological composites. This includes the chemical mapping of the radular teeth of Cryptochiton stelleri (chiton), the crush resistant exoskeleton ...mapping of the radular teeth of Cryptochiton stelleri (chiton), the crush resistant exoskeleton from Phloeodes diabolicus (the Iron Clad beetle), and the... exoskeleton from Phloeodes diabolicus (the Iron Clad beetle), and the hard and impact resistant dactyl club from the stomatopod Odontodactylus scyllarus

Forced Spreading of Aqueous Solutions on Zwitterionic Sulfobetaine Surfaces for Rapid Evaporation and Solute Separation.

PubMed

Wu, Cyuan-Jhang; Singh, Vickramjeet; Sheng, Yu-Jane; Tsao, Heng-Kwong

2017-08-01

Solute separation of aqueous mixtures is mainly dominated by water vaporization. The evaporation rate of an aqueous drop grows with increasing the liquid-gas interfacial area. The spontaneous spreading behavior of a water droplet on a total wetting surface provides huge liquid-gas interfacial area per unit volume; however, it is halted by the self-pinning phenomenon upon addition of nonvolatile solutes. In this work, it is shown that the solute-induced self-pinning can be overcome by gravity, leading to anisotropic spreading much faster than isotropic spreading. The evaporation rate of anisotropic spreading on a zwitterionic sulfobetaine surface is 25 times larger as that on a poly(methyl methacrylate) surface. Dramatic enhancement of evaporation is demonstrated by simultaneous formation of fog atop liquid film. During anisotropic spreading, the solutes are quickly precipitated out within 30 s, showing the rapid solute-water separation. After repeated spreading process for the dye-containing solution, the mean concentration of the collection is doubled, revealing the concentration efficiency as high as 100%. Gravity-enhanced spreading on total wetting surfaces at room temperature is easy to scale-up with less energy consumption, and thus it has great potentials for the applications of solute separation and concentration.

Compositional and structural analysis of nitrogen incorporated and ion implanted diamond thin films

NASA Astrophysics Data System (ADS)

Garratt, Elias James

Significant progress in area of nano-structured thin film systems has taken place in recent decades. In particular, diamond thin film systems are being widely studied for their wear resistant, optical and electronic properties. Of the various methods researchers use to modify the structure of such films, three techniques in particular are of interest due to their versatility: modification of the growth atmosphere, growth on metalized substrates, providing an interfacial layer, and modification through post-growth ion implantation. The aim of this study is to investigate the effects each has to the structure and composition of elements. Different techniques are applied in each section; nitrogen gas dilution in a microwave plasma CVD system, diamond deposition on a metal interfacial layer and ion implantation in thin nanocrystalline diamond film. The forms of nanocrystalline diamond film resulting from such modifications are investigated using advanced spectroscopic and spectrometric techniques, as well as mechanical testing and surface mapping. The impact of these characterizations will provide valuable perspective to researchers in materials science. Understanding the changes to the structure and properties of this class of thin films, which can be induced through various mechanisms, will allow future researchers to refine these films towards technological applications in areas of hard coatings, electronics and photonics.

Dividing Fractions Using an Area Model: A Look at In-Service Teachers' Understanding

ERIC Educational Resources Information Center

Lamberg, Teruni; Wiest, Lynda R.

2015-01-01

The paper reports an investigation into how a group of elementary and middle school teachers collectively attempted to solve and understand a fraction division problem using an area model. Solving the word problem required that teachers determine how many two-thirds fit into three-fourths. The teachers struggled to conceptualise fraction division,…

Requirement of lid2 for interfacial activation of a family I.3 lipase with unique two lid structures.

PubMed

Cheng, Maria; Angkawidjaja, Clement; Koga, Yuichi; Kanaya, Shigenori

2012-10-01

A family I.3 lipase from Pseudomonas sp. MIS38 (PML) is characterized by the presence of two lids (lid1 and lid2) that greatly change conformation upon substrate binding. While lid1 represents the commonly known lid in lipases, lid2 is unique to PML and other family I.3 lipases. To clarify the role of lid2 in PML, a lid2 deletion mutant (ΔL2-PML) was constructed by deleting residues 35-64 of PML. ΔL2-PML requires calcium ions for both lipase and esterase activities as does PML, suggesting that it exhibits activity only when lid1 is fully open and anchored by the catalytically essential calcium ion, as does PML. However, when the enzymatic activity was determined using triacetin, the activity of PML exponentially increased as the substrate concentration reached and increased beyond the critical micellar concentration, while that of ΔL2-PML did not. These results indicate that PML undergoes interfacial activation, while ΔL2-PML does not. The activities of ΔL2-PML for long-chain triglycerides significantly decreased while its activity for fatty acid ethyl esters increased, compared with those of PML. Comparison of the tertiary models of ΔL2-PML in a closed and open conformation, which are optimized by molecular dynamics simulation, with the crystal structures of PML suggests that the hydrophobic surface area provided by lid1 and lid2 in an open conformation is considerably decreased by the deletion of lid2. We propose that the hydrophobic surface area provided by these lids is necessary to hold the micellar substrates firmly to the active site and therefore lid2 is required for interfacial activation of PML. © 2012 The Authors Journal compilation © 2012 FEBS.

In-situ studies of Fe2B phase formation in MgB2 wires and tapes by means of high-energy x-ray diffraction

NASA Astrophysics Data System (ADS)

Grivel, J. C.; Andersen, N. H.; Pinholt, R.; Ková, P.; Husek, I.; Hässler, W.; Herrmann, M.; Perner, O.; Rodig, C.; Homeyer, J.

2006-06-01

The phase transformations occurring in the ceramic core of Fe-sheathed MgB2 wires and tapes prepared by in-situ reaction of Mg and B precursor powders, have been studied by means of high-energy x-ray diffraction. In particular, the time evolution of the Fe2B phase, forming at the interface between the sheath and the ceramic, was studied at different sintering temperatures. The reactivity of the sheath towards Fe2B formation is strongly dependent on powder pre-treatment. In wires produced with commercial Mg and B powders without additional mechanical activation, the Fe2B phase starts forming around 650°C. In contrast, in tapes produced from a mixture of Mg and B powders subjected to high-energy ball milling, the interfacial Fe2B layer forms readily at 600°C. The increase of Fe2B volume fraction is linear to first approximation, showing that the interfacial layer does not act as a diffusion barrier against further reaction between the sheath and the ceramic core. If the ceramic core is converted to MgB2 at a temperature, which is low enough to avoid Fe2B formation, the interface is stable during further annealing at temperatures up to 700°C at least. However, too high annealing temperatures (T > 800°C), would result in formation of Fe2B, probably following the partial decomposition of MgB2.

Pickering Emulsion Gels Prepared by Hydrogen-Bonded Zein/Tannic Acid Complex Colloidal Particles.

PubMed

Zou, Yuan; Guo, Jian; Yin, Shou-Wei; Wang, Jin-Mei; Yang, Xiao-Quan

2015-08-26

Food-grade colloidal particles and complexes, which are formed via modulation of the noncovalent interactions between macromolecules and natural small molecules, can be developed as novel functional ingredients in a safe and sustainable way. For this study was prepared a novel zein/tannic acid (TA) complex colloidal particle (ZTP) based on the hydrogen-bonding interaction between zein and TA in aqueous ethanol solution by using a simple antisolvent approach. Pickering emulsion gels with high oil volume fraction (φ(oil) > 50%) were successfully fabricated via one-step homogenization. Circular dichroism (CD) and small-angle X-ray scattering (SAXS) measurements, which were used to characterize the structure of zein/TA complexes in ethanol solution, clearly showed that TA binding generated a conformational change of zein without altering their supramolecular structure at pH 5.0 and intermediate TA concentrations. Consequently, the resultant ZTP had tuned near neutral wettability (θ(ow) ∼ 86°) and enhanced interfacial reactivity, but without significantly decreased surface charge. These allowed the ZTP to stabilize the oil droplets and further triggered cross-linking to form a continuous network among and around the oil droplets and protein particles, leading to the formation of stable Pickering emulsion gels. Layer-by-layer (LbL) interfacial architecture on the oil-water surface of the droplets was observed, which implied a possibility to fabricate hierarchical interface microstructure via modulation of the noncovalent interaction between hydrophobic protein and natural polyphenol.

Surface vibrational structure at alkane liquid/vapor interfaces

NASA Astrophysics Data System (ADS)

Esenturk, Okan; Walker, Robert A.

2006-11-01

Broadband vibrational sum frequency spectroscopy (VSFS) has been used to examine the surface structure of alkane liquid/vapor interfaces. The alkanes range in length from n-nonane (C9H20) to n-heptadecane (C17H36), and all liquids except heptadecane are studied at temperatures well above their bulk (and surface) freezing temperatures. Intensities of vibrational bands in the CH stretching region acquired under different polarization conditions show systematic, chain length dependent changes. Data provide clear evidence of methyl group segregation at the liquid/vapor interface, but two different models of alkane chain structure can predict chain length dependent changes in band intensities. Each model leads to a different interpretation of the extent to which different chain segments contribute to the anisotropic interfacial region. One model postulates that changes in vibrational band intensities arise solely from a reduced surface coverage of methyl groups as alkane chain length increases. The additional methylene groups at the surface must be randomly distributed and make no net contribution to the observed VSF spectra. The second model considers a simple statistical distribution of methyl and methylene groups populating a three dimensional, interfacial lattice. This statistical picture implies that the VSF signal arises from a region extending several functional groups into the bulk liquid, and that the growing fraction of methylene groups in longer chain alkanes bears responsibility for the observed spectral changes. The data and resulting interpretations provide clear benchmarks for emerging theories of molecular structure and organization at liquid surfaces, especially for liquids lacking strong polar ordering.

Multiple Interfacial Fe3O4@BaTiO3/P(VDF-HFP) Core-Shell-Matrix Films with Internal Barrier Layer Capacitor (IBLC) Effects and High Energy Storage Density.

PubMed

Zhou, Ling; Fu, Qiuyun; Xue, Fei; Tang, Xiahui; Zhou, Dongxiang; Tian, Yahui; Wang, Geng; Wang, Chaohong; Gou, Haibo; Xu, Lei

2017-11-22

Flexible nanocomposites composed of high dielectric constant fillers and polymer matrix have shown great potential for electrostatic capacitors and energy storage applications. To obtain the composited material with high dielectric constant and high breakdown strength, multi-interfacial composited particles, which composed of conductive cores and insulating shells and possessed the internal barrier layer capacitor (IBLC) effect, were adopted as fillers. Thus, Fe 3 O 4 @BaTiO 3 core-shell particles were prepared and loaded into the poly(vinylidene fluoride-co-hexafluoropropylene) (P(VDF-HFP)) polymer matrix. As the mass fraction of core-shell fillers increased from 2.5 wt % to 30 wt %, the dielectric constant of the films increased, while the loss tangent remained at a low level (<0.05 at 1 kHz). Both high electric displacement and high electric breakdown strength were achieved in the films with 10 wt % core-shell fillers loaded. The maximum energy storage density of 7.018 J/cm 3 was measured at 2350 kV/cm, which shows significant enhancement than those of the pure P(VDF-HFP) films and analogous composited films with converse insulating-conductive core-shell fillers. A Maxwell-Wagner capacitor model was also adopted to interpret the efficiency of IBLC effects on the suppressed loss tangent and the superior breakdown strength. This work explored an effective approach to prepare dielectric nanocomposites for energy storage applications experimentally and theoretically.

Multiple cracking of unidirectional and cross-ply ceramic matrix composites

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

Kuo, W.S.; Chou, T.W.

1995-03-01

This paper examines the multiple cracking behavior of unidirectional and cross-ply ceramic matrix composites. For unidirectional composites, a model of concentric cylinders with finite crack spacing and debonding length is introduced. Stresses in the fiber and matrix are found and then applied to predict the composite moduli. Using an energy balance method, critical stresses for matrix cracking initiation are predicted. Effects of interfacial shear stress, debonding length and bonding energy on the critical stress are studied. All the three composite systems examined show that the critical stress for the completely debonded case is lower than that for the perfectly bondedmore » case. For crossply composites, an extensive study has been made for the transverse cracking in 90{degree} plies and the matrix cracking in 0{degree} plies. One transverse cracking and four matrix cracking modes are studied, and closed-form solutions of the critical stresses are obtained. The results indicate that the case of combined matrix and transverse crackings with associated fiber/matrix interfacial sliding in the 0{degree} plies gives the lowest critical stress for matrix cracking. The theoretical predictions are compared with experimental data of SiC/CAS cross-ply composites; both results demonstrated that an increase in the transverse ply thickness reduces the critical stress for matrix cracking in the longitudinal plies. The effects of fiber volume fraction and fiber modulus on the critical stress have been quantified. Thermal residual stresses are included in the analysis.« less

Cavity Adaptation of Water-Based Restoratives Placed as Liners under a Resin Composite

PubMed Central

Gaintantzopoulou, Maria D.; Eliades, George

2017-01-01

Purpose. To investigate the cavity adaptation of mineral trioxide (ProRoot MTA/MT), tricalcium silicate (Biodentine/BD), and glass ionomer (Equia Fil/EF) cements used as liners and the interfacial integrity between those liners and a composite resin placed as the main restorative material. Materials and Methods. Standardized class I cavities (n: 8 per group) were prepared in upper premolars. Cavities were lined with a 1 mm thick layer of each of the tested materials and restored with Optibond FL adhesive and Herculite Precis composite resin. Cavity adaptation of the restorations was investigated by computerized X-ray microtomography. The regions of interest (ROI) were set at the cavity-liner (CL) interface and the liner-resin (LR) interface. The percentage void volume fraction (%VVF) in the ROI was calculated. The specimens were then sectioned and the interfaces were evaluated by reflection optical microscopy, to measure the % length (%LD) of the interfacial gaps. Selected samples were further evaluated by scanning electron microscopy. Statistical analysis was performed by two-way ANOVA and Student-Newman-Keuls multiple comparison test (a = 0.05). Results. MT showed significantly higher %VVF and %LD values in CL interfaces than BD and EF (p < 0.05). No significant differences were found among the materials for the same values at the LR interfaces. Conclusions. When used as a composite liner, ProRoot MTA showed inferior cavity adaptation at dentin/liner interface when compared to Biodentine and Equia Fil. PMID:28465685

DETERMINING EFFECTIVE INTERFACIAL TENSION AND PREDICTING FINGER SPACING FOR DNAPL PENETRATION INTO WATER-SATURATED POROUS MEDIA. (R826157)

EPA Science Inventory

The difficulty in determining the effective interfacial tension limits the prediction of the wavelength of fingering of immiscible fluids in porous media. A method to estimate the effective interfacial tension using fractal concepts was presented by Chang et al. [Water Resour. Re...

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.

Interfacial self-organization of bolaamphiphiles bearing mesogenic groups: relationships between the molecular structures and their self-organized morphologies.

PubMed

Song, Bo; Liu, Guanqing; Xu, Rui; Yin, Shouchun; Wang, Zhiqiang; Zhang, Xi

2008-04-15

This article discusses the relationship between the molecular structure of bolaamphiphiles bearing mesogenic groups and their interfacial self-organized morphology. On the basis of the molecular structures of bolaamphiphiles, we designed and synthesized a series of molecules with different hydrophobic alkyl chain lengths, hydrophilic headgroups, mesogenic groups, and connectors between the alkyl chains and the mesogenic group. Through investigating their interfacial self-organization behavior, some experiential rules are summarized: (1) An appropriate alkyl chain length is necessary to form stable surface micelles; (2) different categories of headgroups have a great effect on the interfacial self-organized morphology; (3) different types of mesogenic groups have little effect on the structure of the interfacial assembly when it is changed from biphenyl to azobenzene or stilbene; (4) the orientation of the ester linker between the mesogenic group and alkyl chain can greatly influence the interfacial self-organization behavior. It is anticipated that this line of research may be helpful for the molecular engineering of bolaamphiphiles to form tailor-made morphologies.

Interplay between Interfacial Structures and Device Performance in Organic Solar Cells: A Case Study with the Low Work Function Metal, Calcium.

PubMed

Ju, Huanxin; Knesting, Kristina M; Zhang, Wei; Pan, Xiao; Wang, Chia-Hsin; Yang, Yaw-Wen; Ginger, David S; Zhu, Junfa

2016-01-27

A better understanding of how interfacial structure affects charge carrier recombination would benefit the development of highly efficient organic photovoltaic (OPV) devices. In this paper, transient photovoltage (TPV) and charge extraction (CE) measurements are used in combination with synchrotron radiation photoemission spectroscopy (SRPES) to gain insight into the correlation between interfacial properties and device performance. OPV devices based on PCDTBT/PC71BM with a Ca interlayer were studied as a reference system to investigate the interfacial effects on device performance. Devices with a Ca interlayer exhibit a lower recombination than devices with only an Al cathode at a given charge carrier density (n). In addition, the interfacial band structures indicate that the strong dipole moment produced by the Ca interlayer can facilitate the extraction of electrons and drive holes away from the cathode/polymer interface, resulting in beneficial reduction in interfacial recombination losses. These results help explain the higher efficiencies of devices made with Ca interlayers compared to that without the Ca interlayer.

Ionic Liquids as the MOFs/Polymer Interfacial Binder for Efficient Membrane Separation.

PubMed

Lin, Rijia; Ge, Lei; Diao, Hui; Rudolph, Victor; Zhu, Zhonghua

2016-11-23

Obtaining strong interfacial affinity between filler and polymer is critical to the preparation of mixed matrix membranes (MMMs) with high separation efficiency. However, it is still a challenge for micron-sized metal organic frameworks (MOFs) to achieve excellent compatibility and defect-free interface with polymer matrix. Thin layer of ionic liquid (IL) was immobilized on micron-sized HKUST-1 to eliminate the interfacial nonselective voids in MMMs with minimized free ionic liquid (IL) in polymer matrix, and then the obtained IL decorated HKUST-1 was incorporated into 4,4'-(hexafluoroisopropylidene)diphthalic anhydride-2,3,5,6-tetramethyl-1,3-phenyldiamine (6FDA-Durene) to fabricate MMMs. Acting as a filler/polymer interfacial binder, the favorable MOF/IL and IL/polymer interaction can facilitate the enhancement of MOF/polymer affinity. Compared to MMM with only HKUST-1 incorporation, MMM with IL decorated HKUST-1 succeeded in restricting the formation of nonselective interfacial voids, leading to an increment in CO 2 selectivity. The IL decoration method can be an effective approach to eliminate interfacial voids in MMMs, extending the filler selection to a wide range of large-sized fillers.

Application of nanoindentation testing to study of the interfacial transition zone in steel fiber reinforced mortar

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

Wang Xiaohui; Jacobsen, Stefan; He Jianying

2009-08-15

The characteristics of the profiles of elastic modulus and hardness of the steel fiber-matrix and fiber-matrix-aggregate interfacial zones in steel fiber reinforced mortars have been investigated by using nanoindentation and Scanning Electron Microscopy (SEM), where two sets of parameters, i.e. water/binder ratio and content of silica fume were considered. Different interfacial bond conditions in the interfacial transition zones (ITZ) are discussed. For sample without silica fume, efficient interfacial bonds across the steel fiber-matrix and fiber-matrix-aggregate interfaces are shown in low water/binder ratio mortar; while in high water/binder ratio mortar, due to the discontinuous bleeding voids underneath the fiber, the fiber-matrixmore » bond is not very good. On the other hand, for sample with silica fume, the addition of 10% silica fume leads to no distinct presence of weak ITZ in the steel fiber-matrix interface; but the effect of the silica fume on the steel fiber-matrix-aggregate interfacial zone is not obvious due to voids in the vicinity of steel fiber.« less

Solid oxide fuel cell operable over wide temperature range

DOEpatents

Baozhen, Li; Ruka, Roswell J.; Singhal, Subhash C.

2001-01-01

Solid oxide fuel cells having improved low-temperature operation are disclosed. In one embodiment, an interfacial layer of terbia-stabilized zirconia is located between the air electrode and electrolyte of the solid oxide fuel cell. The interfacial layer provides a barrier which controls interaction between the air electrode and electrolyte. The interfacial layer also reduces polarization loss through the reduction of the air electrode/electrolyte interfacial electrical resistance. In another embodiment, the solid oxide fuel cell comprises a scandia-stabilized zirconia electrolyte having high electrical conductivity. The scandia-stabilized zirconia electrolyte may be provided as a very thin layer in order to reduce resistance. The scandia-stabilized electrolyte is preferably used in combination with the terbia-stabilized interfacial layer. The solid oxide fuel cells are operable over wider temperature ranges and wider temperature gradients in comparison with conventional fuel cells.

Interfacial nanodroplets guided construction of hierarchical Au, Au-Pt, and Au-Pd particles as excellent catalysts

NASA Astrophysics Data System (ADS)

Ma, Aijing; Xu, Jie; Zhang, Xuehua; Zhang, Bin; Wang, Dayang; Xu, Haolan

2014-05-01

Interfacial nanodroplets were grafted to the surfaces of self-sacrificed template particles in a galvanic reaction system to assist the construction of 3D Au porous structures. The interfacial nanodroplets were formed via direct adsorption of surfactant-free emulsions onto the particle surfaces. The interfacial nanodroplets discretely distributed at the template particle surfaces and served as soft templates to guide the formation of porous Au structures. The self-variation of footprint sizes of interfacial nanodroplets during Au growth gave rise to a hierarchical pore size distribution of the obtained Au porous particles. This strategy could be easily extended to synthesize bimetal porous particles such as Au-Pt and Au-Pd. The obtained porous Au, Au-Pt, and Au-Pd particles showed excellent catalytic activity in catalytic reduction of 4-nitrophenol.

Oxide-Based Composite Electrolytes Using Na3Zr2Si2PO12/Na3PS4 Interfacial Ion Transfer.

PubMed

Noi, Kousuke; Nagata, Yuka; Hakari, Takashi; Suzuki, Kenji; Yubuchi, So; Ito, Yusuke; Sakuda, Atsushi; Hayashi, Akitoshi; Tatsumisago, Masahiro

2018-05-31

All-solid-state sodium batteries using Na 3 Zr 2 Si 2 PO 12 (NASICON) solid electrolytes are promising candidates for safe and low-cost advanced rechargeable battery systems. Although NASICON electrolytes have intrinsically high sodium-ion conductivities, their high sintering temperatures interfere with the immediate development of high-performance batteries. In this work, sintering-free NASICON-based composites with Na 3 PS 4 (NPS) glass ceramics were prepared to combine the high grain-bulk conductivity of NASICON and the interfacial formation ability of NPS. Before the composite preparation, the NASICON/NPS interfacial resistance was investigated by modeling the interface between the NASICON sintered ceramic and the NPS glass thin film. The interfacial ion-transfer resistance was very small above room temperature; the area-specific resistances at 25 and 100 °C were 15.8 and 0.40 Ω cm 2 , respectively. On the basis of this smooth ion transfer, NASICON-rich (70-90 wt %) NASICON-NPS composite powders were prepared by ball-milling fine powders of each component. The composite powders were well-densified by pressing at room temperature. Scanning electron microscopy observation showed highly dispersed sub-micrometer NASICON grains in a dense NPS matrix to form closed interfaces between the oxide and sulfide solid electrolytes. The composite green (unfired) compacts with 70 and 80 wt % NASICON exhibited high total conductivities at 100 °C of 1.1 × 10 -3 and 6.8 × 10 -4 S cm -1 , respectively. An all-solid-state Na 15 Sn 4 /TiS 2 cell was constructed using the 70 wt % NASICON composite electrolyte by the uniaxial pressing of the powder materials, and its discharge properties were evaluated at 100 °C. The cell showed the reversible capacities of about 120 mAh g -1 under the current density of 640 μA cm -2 . The prepared oxide-based composite electrolytes were thus successfully applied in all-solid-state sodium rechargeable batteries without sintering.

Bicontinuous microemulsions as a biomembrane mimetic system for melittin

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

Hayes, Douglas G.; Ye, Ran; Dunlap, Rachel N.

Antimicrobial peptides effectively kill antibiotic-resistant bacteria by forming pores in prokaryotes' biomembranes via penetration into the biomembranes' interior. Bicontinuous microemulsions, consisting of interdispersed oil and water nanodomains separated by flexible surfactant monolayers, are potentially valuable for hosting membrane-associated peptides and proteins due to their thermodynamic stability, optical transparency, low viscosity, and high interfacial area. Here, we show that bicontinuous microemulsions formed by negatively-charged surfactants are a robust biomembrane mimetic system for the antimicrobial peptide melittin. When encapsulated in bicontinuous microemulsions formed using three-phase (Winsor-III) systems, melittin's helicity increases greatly due to penetration into the surfactant monolayers, mimicking its behavior inmore » biomembranes. But, the threshold melittin concentration required to achieve these trends is lower for the microemulsions. The extent of penetration was decreased when the interfacial fluidity of the microemulsions was increased. In conclusion, these results suggest the utility of bicontinuous microemulsions for isolation, purification, delivery, and host systems for antimicrobial peptides.« less

Inhibition of viscous fluid fingering: A variational scheme for optimal flow rates

NASA Astrophysics Data System (ADS)

Miranda, Jose; Dias, Eduardo; Alvarez-Lacalle, Enrique; Carvalho, Marcio

2012-11-01

Conventional viscous fingering flow in radial Hele-Shaw cells employs a constant injection rate, resulting in the emergence of branched interfacial shapes. The search for mechanisms to prevent the development of these bifurcated morphologies is relevant to a number of areas in science and technology. A challenging problem is how best to choose the pumping rate in order to restrain growth of interfacial amplitudes. We use an analytical variational scheme to look for the precise functional form of such an optimal flow rate. We find it increases linearly with time in a specific manner so that interface disturbances are minimized. Experiments and nonlinear numerical simulations support the effectiveness of this particularly simple, but not at all obvious, pattern controlling process. J.A.M., E.O.D. and M.S.C. thank CNPq/Brazil for financial support. E.A.L. acknowledges support from Secretaria de Estado de IDI Spain under project FIS2011-28820-C02-01.

Bicontinuous microemulsions as a biomembrane mimetic system for melittin

DOE PAGES

Hayes, Douglas G.; Ye, Ran; Dunlap, Rachel N.; ...

2017-11-12

Antimicrobial peptides effectively kill antibiotic-resistant bacteria by forming pores in prokaryotes' biomembranes via penetration into the biomembranes' interior. Bicontinuous microemulsions, consisting of interdispersed oil and water nanodomains separated by flexible surfactant monolayers, are potentially valuable for hosting membrane-associated peptides and proteins due to their thermodynamic stability, optical transparency, low viscosity, and high interfacial area. Here, we show that bicontinuous microemulsions formed by negatively-charged surfactants are a robust biomembrane mimetic system for the antimicrobial peptide melittin. When encapsulated in bicontinuous microemulsions formed using three-phase (Winsor-III) systems, melittin's helicity increases greatly due to penetration into the surfactant monolayers, mimicking its behavior inmore » biomembranes. But, the threshold melittin concentration required to achieve these trends is lower for the microemulsions. The extent of penetration was decreased when the interfacial fluidity of the microemulsions was increased. In conclusion, these results suggest the utility of bicontinuous microemulsions for isolation, purification, delivery, and host systems for antimicrobial peptides.« less

Factors controlling nanoparticle pharmacokinetics: an integrated analysis and perspective.

PubMed

Moghimi, S M; Hunter, A C; Andresen, T L

2012-01-01

Intravenously injected nanoparticulate drug carriers provide a wide range of unique opportunities for site-specific targeting of therapeutic agents to many areas within the vasculature and beyond. Pharmacokinetics and biodistribution of these carriers are controlled by a complex array of interrelated core and interfacial physicochemical and biological factors. Pertinent to realizing therapeutic goals, definitive maps that establish the interdependency of nanoparticle size, shape, and surface characteristics in relation to interfacial forces, biodistribution, controlled drug release, excretion, and adverse effects must be outlined. These concepts are critically evaluated and an integrated perspective is provided on the basis of the recent application of nanoscience approaches to nanocarrier design and engineering. The future of this exciting field is bright; some regulatory-approved products are already on the market and many are in late-phase clinical trials. With concomitant advances in extensive computational knowledge of the genomics and epigenomics of interindividual variations in drug responses, the boundaries toward development of personalized nanomedicines can be pushed further.

Engineering Orthopedic Tissue Interfaces

PubMed Central

Yang, Peter J.

2009-01-01

While a wide variety of approaches to engineering orthopedic tissues have been proposed, less attention has been paid to the interfaces, the specialized areas that connect two tissues of different biochemical and mechanical properties. The interface tissue plays an important role in transitioning mechanical load between disparate tissues. Thus, the relatively new field of interfacial tissue engineering presents new challenges—to not only consider the regeneration of individual orthopedic tissues, but also to design the biochemical and cellular composition of the linking tissue. Approaches to interfacial tissue engineering may be distinguished based on if the goal is to recreate the interface itself, or generate an entire integrated tissue unit (such as an osteochondral plug). As background for future efforts in engineering orthopedic interfaces, a brief review of the biology and mechanics of each interface (cartilage–bone, ligament–bone, meniscus–bone, and muscle–tendon) is presented, followed by an overview of the state-of-the-art in engineering each tissue, including advances and challenges specific to regenerating the interfaces. PMID:19231983

Tutorial for Collecting and Processing Images of Composite Structures to Determine the Fiber Volume Fraction

NASA Technical Reports Server (NTRS)

Conklin, Lindsey

2017-01-01

Fiber-reinforced composite structures have become more common in aerospace components due to their light weight and structural efficiency. In general, the strength and stiffness of a composite structure are directly related to the fiber volume fraction, which is defined as the fraction of fiber volume to total volume of the composite. The most common method to measure the fiber volume fraction is acid digestion, which is a useful method when the total weight of the composite, the fiber weight, and the total weight can easily be obtained. However, acid digestion is a destructive test, so the material will no longer be available for additional characterization. Acid digestion can also be difficult to machine out specific components of a composite structure with complex geometries. These disadvantages of acid digestion led the author to develop a method to calculate the fiber volume fraction. The developed method uses optical microscopy to calculate the fiber area fraction based on images of the cross section of the composite. The fiber area fraction and fiber volume fraction are understood to be the same, based on the assumption that the shape and size of the fibers are consistent in the depth of the composite. This tutorial explains the developed method for optically determining fiber area fraction performed at NASA Langley Research Center.

Configuration-specific electronic structure of strongly interacting interfaces: TiOPc on Cu(110)

NASA Astrophysics Data System (ADS)

Maughan, Bret; Zahl, Percy; Sutter, Peter; Monti, Oliver L. A.

2017-12-01

We use low-temperature scanning tunneling microscopy in combination with angle-resolved ultraviolet and two-photon photoemission spectroscopy to investigate the interfacial electronic structure of titanyl phthalocyanine (TiOPc) on Cu(110). We show that the presence of two unique molecular adsorption configurations is crucial for a molecular-level analysis of the hybridized interfacial electronic structure. Specifically, thermally induced self-assembly exposes marked adsorbate-configuration-specific contributions to the interfacial electronic structure. The results of this work demonstrate an avenue towards understanding and controlling interfacial electronic structure in chemisorbed films even for the case of complex film structure.

Effects of crystal-melt interfacial energy anisotropy on dendritic morphology and growth kinetics

NASA Technical Reports Server (NTRS)

Glicksman, M. E.; Singh, N. B.

1989-01-01

Morphological and kinetic studies of succinonitrile, a BCC crystal with a low (0.5 percent) anisotropy and pivalic acid, and FCC crystal with relatively large (5 percent) anisotropy in solid-liquid interfacial energy, show clearly that anisotropy in the solid-liquid interfacial energy does not affect the tip radius-velocity relationship, but has a profound influence on the tip region and the rate of amplification of branching waves. Anisotropy of the solid-liquid interfacial energy may be one of the key factors by which the microstructural characteristics of cast structures reflect individual material behavior, especially crystal symmetry.

Spatial-temporal distribution and risk assessment of mercury in different fractions in surface sediments from the Yangtze River estuary.

PubMed

Wang, Qingrui; Liu, Ruimin; Men, Cong; Xu, Fei; Guo, Lijia; Shen, Zhenyao

2017-11-15

The temporal and spatial distributions of mercury in different fractions and its potential ecological risk were investigated in sediments from the Yangtze River estuary (YRE) by analyzing data collected from the study area. The results showed that mercury in the organic and residual fractions had dominant proportions, from 15.2% to 48.52% and from 45.96% to 81.59%, respectively. The fractions were more susceptible to seasonal changes than other fractions. Higher proportions of mercury in organic fraction were found in wet seasons; the opposite was true for mercury in residual fraction. With respect to the spatial distribution, the concentration mercury in exchangeable, carbonate and Fe-Mn oxide fractions showed a decreasing trend from the inner estuary to the outer estuary, but no obvious trends were found in the distributions of mercury in the organic and residual fractions. The risk assessment code (RAC) was used to evaluate the potential ecological risk in the study area based on the proportions of exchangeable and carbonate fractions. The average RAC values during the four periods were 6.00%, 2.20%, 2.83%, and 0.61%. Although these values show that the risk in the study area is generally low, the distribution of RAC values indicates that the inner estuary has a medium risk, with a value up to 10%. Copyright © 2017 Elsevier Ltd. All rights reserved.

Effect of Concentration on the Interfacial and Bulk Structure of Ionic Liquids in Aqueous Solution.

PubMed

Cheng, H-W; Weiss, H; Stock, P; Chen, Y-J; Reinecke, C R; Dienemann, J-N; Mezger, M; Valtiner, M

2018-02-27

Bio and aqueous applications of ionic liquids (IL) such as catalysis in micelles formed in aqueous IL solutions or extraction of chemicals from biologic materials rely on surface-active and self-assembly properties of ILs. Here, we discuss qualitative relations of the interfacial and bulk structuring of a water-soluble surface-active IL ([C 8 MIm][Cl]) on chemically controlled surfaces over a wide range of water concentrations using both force probe and X-ray scattering experiments. Our data indicate that IL structuring evolves from surfactant-like surface adsorption at low IL concentrations, to micellar bulk structure adsorption above the critical micelle concentration, to planar bilayer formation in ILs with <1 wt % of water and at high charging of the surface. Interfacial structuring is controlled by mesoscopic bulk structuring at high water concentrations. Surface chemistry and surface charges decisively steer interfacial ordering of ions if the water concentration is low and/or the surface charge is high. We also demonstrate that controlling the interfacial forces by using self-assembled monolayer chemistry allows tuning of interfacial structures. Both the ratio of the head group size to the hydrophobic tail volume as well as the surface charging trigger the bulk structure and offer a tool for predicting interfacial structures. Based on the applied techniques and analyses, a qualitative prediction of molecular layering of ILs in aqueous systems is possible.

Effect of Interfacial Bonding on the Strength of Adhesion of Elastomers II. Dissimilar Adherends.

DTIC Science & Technology

1981-02-02

260 Code AFRPL MKPA Arlingon, VA 22217 Edwards AFB, CA 93523 Attn: Mr. 0. Siegel Attn: Dr. F. Roberto Office of Naval Research AFSC Western Office...of Naval Research 2 Scientific Research Eastern Central Regional Directorate of Chemical & Office Atmospheric Sciences 495 Summer Street Bolling Air...Directorate of Aero- San Francisco Area Office space Sciences One Hallidie Plaza Suite 601 Bolling Air Force Base San Francisco, CA 94102 Washington

The AMOS cell - An improved metal-semiconductor solar cell. [Antireflection coated Metal Oxide Semiconductor

NASA Technical Reports Server (NTRS)

Stirn, R. J.; Yeh, Y.-C. M.

1975-01-01

A new fabrication process is being developed which significantly improves the efficiency of metal-semiconductor solar cells. The resultant effect, a marked increase in the open-circuit voltage, is produced by the addition of an interfacial layer oxide on the semiconductor. Cells using gold on n-type gallium arsenide have been made in small areas (0.17 sq cm) with conversion efficiencies of 15% in terrestrial sunlight.

Isostructural solid-solid phase transition in monolayers of soft core-shell particles at fluid interfaces: structure and mechanics.

PubMed

Rey, Marcel; Fernández-Rodríguez, Miguel Ángel; Steinacher, Mathias; Scheidegger, Laura; Geisel, Karen; Richtering, Walter; Squires, Todd M; Isa, Lucio

2016-04-21

We have studied the complete two-dimensional phase diagram of a core-shell microgel-laden fluid interface by synchronizing its compression with the deposition of the interfacial monolayer. Applying a new protocol, different positions on the substrate correspond to different values of the monolayer surface pressure and specific area. Analyzing the microstructure of the deposited monolayers, we discovered an isostructural solid-solid phase transition between two crystalline phases with the same hexagonal symmetry, but with two different lattice constants. The two phases corresponded to shell-shell and core-core inter-particle contacts, respectively; with increasing surface pressure the former mechanically failed enabling the particle cores to come into contact. In the phase-transition region, clusters of particles in core-core contacts nucleate, melting the surrounding shell-shell crystal, until the whole monolayer moves into the second phase. We furthermore measured the interfacial rheology of the monolayers as a function of the surface pressure using an interfacial microdisk rheometer. The interfaces always showed a strong elastic response, with a dip in the shear elastic modulus in correspondence with the melting of the shell-shell phase, followed by a steep increase upon the formation of a percolating network of the core-core contacts. These results demonstrate that the core-shell nature of the particles leads to a rich mechanical and structural behavior that can be externally tuned by compressing the interface, indicating new routes for applications, e.g. in surface patterning or emulsion stabilization.

Mechanical versus kinematical shortening reconstructions of the Zagros High Folded Zone (Kurdistan region of Iraq)

NASA Astrophysics Data System (ADS)

Frehner, Marcel; Reif, Daniel; Grasemann, Bernhard

2012-06-01

This paper compares kinematical and mechanical techniques for the palinspastic reconstruction of folded cross sections in collision orogens. The studied area and the reconstructed NE-SW trending, 55.5 km long cross section is located in the High Folded Zone of the Zagros fold-and-thrust belt in the Kurdistan region of Iraq. The present-day geometry of the cross section has been constructed from field as well as remote sensing data. In a first step, the structures and the stratigraphy are simplified and summarized in eight units trying to identify the main geometric and mechanical parameters. In a second step, the shortening is kinematically estimated using the dip domain method to 11%-15%. Then the same cross section is used in a numerical finite element model to perform dynamical unfolding simulations taking various rheological parameters into account. The main factor allowing for an efficient dynamic unfolding is the presence of interfacial slip conditions between the mechanically strong units. Other factors, such as Newtonian versus power law viscous rheology or the presence of a basement, affect the numerical simulations much less strongly. If interfacial slip is accounted for, fold amplitudes are reduced efficiently during the dynamical unfolding simulations, while welded layer interfaces lead to unrealistic shortening estimates. It is suggested that interfacial slip and decoupling of the deformation along detachment horizons is an important mechanical parameter that controlled the folding processes in the Zagros High Folded Zone.

Mechanical versus kinematical shortening reconstructions of the Zagros High Folded Zone (Kurdistan Region of Iraq)

NASA Astrophysics Data System (ADS)

Frehner, M.; Reif, D.; Grasemann, B.

2012-04-01

Our study compares kinematical and mechanical techniques for the palinspastic reconstruction of folded cross-sections in collision orogens. The studied area and the reconstructed NE-SW-trending, 55.5 km long cross-section is located in the High Folded Zone of the Zagros fold-and-thrust belt in the Kurdistan Region of Iraq. The present-day geometry of the cross-section has been constructed from field, as well as remote sensing data. In a first step, the structures and the stratigraphy are simplified and summarized in eight units trying to identify the main geometric and mechanical parameters. In a second step, the shortening is kinematically estimated using the dip-domain method to 11%-15%. Then the same cross-section is used in a numerical finite-element model to perform dynamical unfolding simulations taking various rheological parameters into account. The main factor allowing for an efficient dynamic unfolding is the presence of interfacial slip conditions between the mechanically strong units. Other factors, such as Newtonian vs. power-law viscous rheology or the presence of a basement affect the numerical simulations much less strongly. If interfacial slip is accounted for, fold amplitudes are reduced efficiently during the dynamical unfolding simulations, while welded layer interfaces lead to unrealistic shortening estimates. It is suggested that interfacial slip and decoupling of the deformation along detachment horizons is an important mechanical parameter that controlled the folding processes in the Zagros High Folded Zone.

Evaluating the Role of the Air-Solution Interface on the Mechanism of Subvisible Particle Formation Caused by Mechanical Agitation for an IgG1 mAb.

PubMed

Ghazvini, Saba; Kalonia, Cavan; Volkin, David B; Dhar, Prajnaparamita

2016-05-01

Mechanical agitation of monoclonal antibody (mAb) solutions often leads to protein particle formation. In this study, various formulations of an immunoglobulin G (IgG) 1 mAb were subjected to different controlled interfacial stresses using a Langmuir trough, and protein particles formed at the interface and measured in bulk solution were characterized using atomic force microscopy and flow digital imaging. Results were compared to mAb solutions agitated in glass vials and unstressed controls. At lower pH, mAb solutions exhibited larger hysteresis in their surface pressure versus area isotherms and increased number of particles in bulk solution, when subjected to interfacial stresses. mAb samples subjected to 750-1000 interfacial compression-expansion cycles in 6 h contained high particle numbers in bulk solution, and displayed similar particulation trends when agitated in vials. At compression rates of 50 cycles in 6 h, however, particle levels in mAb solutions were comparable to unstressed controls, despite protein aggregates being present at the air-solution interface. These results suggest that while the air-solution interface serves as a nucleation site for initiating protein aggregation, the number of protein particles measured in bulk mAb solutions depends on the total number of compression cycles that proteins at the air-solution interface are subjected to within a fixed time. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Multi-angle ZnO microstructures grown on Ag nanorods array for plasmon-enhanced near-UV-blue light emitter

NASA Astrophysics Data System (ADS)

Pal, Anil Kumar; Bharathi Mohan, D.

2017-10-01

Metal enhanced ultraviolet light emission has been explored in ZnO/Ag hybrid structures prepared by hydrothermal growth of multi-angled ZnO nanorods on slanted Ag nanorods array fabricated by the thermal evaporation technique. Slanted Ag nanorods are realized to be the stacking of non-spherical Ag nanoparticles, resulting in asymmetric surface plasmon resonance spectra. The surface roughness of Ag nanorod array films significantly influences the growth mechanism of ZnO nanorods, leading to the formation of multi-angled ZnO microflowers. ZnO/Ag hybrid structures facilitate the interfacial charge transfer from Ag to ZnO with the realization of negative shift in binding energy of Ag 3d orbitals by ˜0.8 eV. These high quality ZnO nanorods in ZnO/Ag hybrid nanostructures exhibit strong ultraviolet emission in the 383-396 nm region without broad deep level emission, which can be explained by a suitable band diagram. The metal enhanced photoluminescence is witnessed mainly due to interfacial charge transfer with its dependence on surface roughness of bottom layer Ag nanorods, number density of ZnO nanorods and diversity in the interfacial area between Ag and ZnO nanorods. The existence of strong ultraviolet light with minor blue light emission and appearance of CIE shade in strong violet-blue region by ZnO/Ag hybrid structures depict exciting possibilities towards near UV-blue light emitting devices.