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.

CFD Modeling of the Multipurpose Hydrogen Test Bed (MHTB) Self-Pressurization and Spray Bar Mixing Experiments in Normal Gravity: Effect of the Accommodation Coefficient on the Tank Pressure

NASA Technical Reports Server (NTRS)

Kartuzova, Olga; Kassemi, Mohammad

2015-01-01

A CFD model for simulating the self-pressurization of a large scale liquid hydrogen storage tank is utilized in this paper to model the MHTB self-pressurization experiment. The kinetics-based Schrage equation is used to account for the evaporative and condensi ng interfacial mass flows in this model. The effect of the accommodation coefficient for calculating the interfacial mass transfer rate on the tank pressure during tank selfpressurization is studied. The values of the accommodation coefficient which were considered in this study vary from 1.0e-3 to 1.0e-1 for the explicit VOF model and from 1.0e-4 to 1.0e-3 for the implicit VOF model. The ullage pressure evolutions are compared against experimental data. A CFD model for controlling pressure in cryogenic storage tanks by spraying cold liquid into the ullage is also presented. The Euler-Lagrange approach is utilized for tracking the spray droplets and for modeling the interaction between the droplets and the continuous phase (ullage). The spray model is coupled with the VOF model by performing particle tracking in the ullage, removing particles from the ullage when they reach the interface, and then adding their contributions to the liquid. Droplet-ullage heat and mass transfer are modeled. The flow, temperature, and interfacial mass flux, as well as droplets trajectories, size distribution and temperatures predicted by the model are presented. The ul lage pressure and vapor temperature evolutions are compared with experimental data obtained from the MHTB spray bar mixing experiment. The effect of the accommodation coefficient for calculating the interfacial and droplet mass transfer rates on the tank pressure during mixing of the vapor using spray is studied. The values used for the accommodation coefficient at the interface vary from 1.0e-5 to 1.0e-2. The droplet accommodation coefficient values vary from 2.0e-6 to 1.0e-4.

Air/sea DMS gas transfer in the North Atlantic: evidence for limited interfacial gas exchange at high wind speed

NASA Astrophysics Data System (ADS)

Bell, T. G.; De Bruyn, W.; Miller, S. D.; Ward, B.; Christensen, K.; Saltzman, E. S.

2013-05-01

Shipboard measurements of eddy covariance DMS air/sea fluxes and seawater concentration were carried out in the North Atlantic bloom region in June/July 2011. Gas transfer coefficients (k660) show a linear dependence on mean horizontal wind speed at wind speeds up to 11 m s-1. At higher wind speeds the relationship between k660 and wind speed weakens. At high winds, measured DMS fluxes were lower than predicted based on the linear relationship between wind speed and interfacial stress extrapolated from low to intermediate wind speeds. In contrast, the transfer coefficient for sensible heat did not exhibit this effect. The apparent suppression of air/sea gas flux at higher wind speeds appears to be related to sea state, as determined from shipboard wave measurements. These observations are consistent with the idea that long waves suppress near surface water side turbulence, and decrease interfacial gas transfer. This effect may be more easily observed for DMS than for less soluble gases, such as CO2, because the air/sea exchange of DMS is controlled by interfacial rather than bubble-mediated gas transfer under high wind speed conditions.

Air-sea dimethylsulfide (DMS) gas transfer in the North Atlantic: evidence for limited interfacial gas exchange at high wind speed

NASA Astrophysics Data System (ADS)

Bell, T. G.; De Bruyn, W.; Miller, S. D.; Ward, B.; Christensen, K.; Saltzman, E. S.

2013-11-01

Shipboard measurements of eddy covariance dimethylsulfide (DMS) air-sea fluxes and seawater concentration were carried out in the North Atlantic bloom region in June/July 2011. Gas transfer coefficients (k660) show a linear dependence on mean horizontal wind speed at wind speeds up to 11 m s-1. At higher wind speeds the relationship between k660 and wind speed weakens. At high winds, measured DMS fluxes were lower than predicted based on the linear relationship between wind speed and interfacial stress extrapolated from low to intermediate wind speeds. In contrast, the transfer coefficient for sensible heat did not exhibit this effect. The apparent suppression of air-sea gas flux at higher wind speeds appears to be related to sea state, as determined from shipboard wave measurements. These observations are consistent with the idea that long waves suppress near-surface water-side turbulence, and decrease interfacial gas transfer. This effect may be more easily observed for DMS than for less soluble gases, such as CO2, because the air-sea exchange of DMS is controlled by interfacial rather than bubble-mediated gas transfer under high wind speed conditions.

Effects of surface treatments and bonding types on the interfacial behavior of fiber metal laminate based on magnesium alloy

NASA Astrophysics Data System (ADS)

Zhang, Xi; Ma, Quanyang; Dai, Yu; Hu, Faping; Liu, Gang; Xu, Zouyuan; Wei, Guobing; Xu, Tiancai; Zeng, Qingwen; Xie, Weidong

2018-01-01

Fiber metal laminates based on magnesium alloys (MgFML) with different surface treatments and different bonding types were tested and analyzed. By using dynamic contact angle measurement and scanning electron microscopy (SEM), it was found that phosphating treatment can significantly improve the surface energy and wettability of magnesium alloy, and the surface energy of phosphated magnesium alloy was approximately 50% higher than that of abraded-only magnesium alloy. The single cantilever beam (SCB) test showed that the interfacial fracture energies of directly bonded MgFMLs based on abraded-only magnesium and abraded + phosphated magnesium were 650 J/m2 and 1030 J/m2, respectively, whereas the interfacial fracture energies of indirectly bonded MgFMLs were 1650 J/m2 and 2260 J/m2, respectively. Phosphating treatment and modified polypropylene interleaf were observed to improve the tensile strength and interfacial fracture toughness of MgFML. In addition, the rougher surface was more conducive to enhance the bonding strength and interfacial fracture toughness of MgFML.

Characterizing ceramics and the interfacial adhesion to resin: II- the relationship of surface treatment, bond strength, interfacial toughness and fractography.

PubMed

Della-Bona, Alvaro

2005-06-01

The clinical success of resin bonding procedures for indirect ceramic restorations and ceramic repairs depends on the quality and durability of the bond between the ceramic and the resin. The quality of this bond will depend upon the bonding mechanisms that are controlled in part by the surface treatment that promote micromechanical and/or chemical bonding to the substrate. The objective of this review is to correlate interfacial toughness (K A) with fracture surface morphological parameters of the dental ceramic-resin systems as a function of ceramic surface treatment. This analysis is designed to identify mechanisms that promote adhesion of these ceramic-resin systems and an appropriate bond test method to yield relevant adhesion performance data.

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.

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

Li, H.; Chang, C.; Cheng, H. H., E-mail: hhcheng@ntu.edu.tw

We report an investigation on the absorption mechanism of a GeSn photodetector with 2.4% Sn composition in the active region. Responsivity is measured and absorption coefficient is calculated. Square root of absorption coefficient linearly depends on photon energy indicating an indirect transition. However, the absorption coefficient is found to be at least one order of magnitude higher than that of most other indirect materials, suggesting that the indirect optical absorption transition cannot be assisted only by phonon. Our analysis of absorption measurements by other groups on the same material system showed the values of absorption coefficient on the same ordermore » of magnitude. Our study reveals that the strong enhancement of absorption for the indirect optical transition is the result of alloy disorder from the incorporation of the much larger Sn atoms into the Ge lattice that are randomly distributed.« less

Film condensation in a horizontal rectangular duct

NASA Technical Reports Server (NTRS)

Lu, Qing; Suryanarayana, N. V.

1992-01-01

Condensation heat transfer in an annular flow regime with and without interfacial waves was experimentally investigated. The study included measurements of heat transfer rate with condensation of vapor flowing inside a horizontal rectangular duct and experiments on the initiation of interfacial waves in condensation, and adiabatic air-liquid flow. An analytical model for the condensation was developed to predict condensate film thickness and heat transfer coefficients. Some conclusions drawn from the study are that the condensate film thickness was very thin (less than 0.6 mm). The average heat transfer coefficient increased with increasing the inlet vapor velocity. The local heat transfer coefficient decreased with the axial distance of the condensing surface, with the largest change at the leading edge of the test section. The interfacial shear stress, which consisted of the momentum shear stress and the adiabatic shear stress, appeared to have a significant effect on the heat transfer coefficients. In the experiment, the condensate flow along the condensing surface experienced a smooth flow, a two-dimensional wavy flow, and a three-dimensional wavy flow. In the condensation experiment, the local wave length decreased with the axial distance of the condensing surface and the average wave length decreased with increasing inlet vapor velocity, while the wave speed increased with increasing vapor velocity. The heat transfer measurements are reliable. And, the ultrasonic technique was effective for measuring the condensate film thickness when the surface was smooth or had waves of small amplitude.

Properties of Interfacial Tribo-Films

DTIC Science & Technology

1993-06-01

cf these rods is such as to have the center of gravity of or the attraction of water into the re-entrant peripheral gap the whole sample as close as...difference between the fluid dynamics, acoustic effects in stringed musical static and the kinetic friction coefficients increases with instruments...interfacial fluid molecules to static minimize oscillations, the center of gravity of the sample friction have been explored and, in this regard, adsorbed

Interfacial solvation thermodynamics

NASA Astrophysics Data System (ADS)

Ben-Amotz, Dor

2016-10-01

Previous studies have reached conflicting conclusions regarding the interplay of cavity formation, polarizability, desolvation, and surface capillary waves in driving the interfacial adsorptions of ions and molecules at air-water interfaces. Here we revisit these questions by combining exact potential distribution results with linear response theory and other physically motivated approximations. The results highlight both exact and approximate compensation relations pertaining to direct (solute-solvent) and indirect (solvent-solvent) contributions to adsorption thermodynamics, of relevance to solvation at air-water interfaces, as well as a broader class of processes linked to the mean force potential between ions, molecules, nanoparticles, proteins, and biological assemblies.

Partial-coverage posterior ceramic restorations. Part 1: a return to diligence.

PubMed

Liebenberg, W H

2001-01-01

The application of multisurfaced tooth-colored restorations in the posterior dentition is an exercise in risk tolerance when dentin occupies the bulk of the tooth substrate. Not only is interfacial integrity capricious, but also a recent in vivo study has confirmed that dentin bond strengths deteriorate with time. Although the literature is replete with esthetic guidelines for posterior restitution, most practicing clinicians appreciate the prime tenet that clinical success involves more than esthetic realism in the posterior dentition. Success with indirect ceramic restorations is dependent on interfacial integrity, which, although multitudinous, is contingently related to operative competence. Innovative clinical techniques are described in this two-part article, along with a discussion of the probationary status of current adhesive options and the need for excellence in all phases of this demanding restorative sequence. Restorative success in the posterior dentition is profoundly influenced by the variability of operative competence and diligence. This article discusses the precincts of posterior indirect ceramic restorations and submits a number of innovative solutions to the clinical challenge.

External Heat Transfer Coefficient Measurements on a Surrogate Indirect Inertial Confinement Fusion Target

DOE PAGES

Miles, Robin; Havstad, Mark; LeBlanc, Mary; ...

2015-09-15

External heat transfer coefficients were measured around a surrogate Indirect inertial confinement fusion (ICF) based on the Laser Inertial Fusion Energy (LIFE) design target to validate thermal models of the LIFE target during flight through a fusion chamber. Results indicate that heat transfer coefficients for this target 25-50 W/m 2∙K are consistent with theoretically derived heat transfer coefficients and valid for use in calculation of target heating during flight through a fusion chamber.

An Investigation of Interfacial Fatigue in Fiber Reinforced Composites

NASA Astrophysics Data System (ADS)

Yanhua, Chen; Zhifei, Shi

2005-09-01

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

Characterization of the interfacial heat transfer coefficient for hot stamping processes

NASA Astrophysics Data System (ADS)

Luan, Xi; Liu, Xiaochuan; Fang, Haomiao; Ji, Kang; El Fakir, Omer; Wang, LiLiang

2016-08-01

In hot stamping processes, the interfacial heat transfer coefficient (IHTC) between the forming tools and hot blank is an essential parameter which determines the quenching rate of the process and hence the resulting material microstructure. The present work focuses on the characterization of the IHTC between an aluminium alloy 7075-T6 blank and two different die materials, cast iron (G3500) and H13 die steel, at various contact pressures. It was found that the IHTC between AA7075 and cast iron had values 78.6% higher than that obtained between AA7075 and H13 die steel. Die materials and contact pressures had pronounced effects on the IHTC, suggesting that the IHTC can be used to guide the selection of stamping tool materials and the precise control of processing parameters.

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.

Analysis of Carbon Nanotube Pull-out from a Polymer Matrix

NASA Technical Reports Server (NTRS)

Frankland, S. J. V.; Harik, V. M.; Bushnell, Dennis M. (Technical Monitor)

2002-01-01

Molecular dynamics (MD) simulations of carbon nanotube (NT) pull-out from a polymer matrix are carried out. As the NT pull-out develops in the simulation, variations in the displacement and velocities of the NT are monitored. The existence of a carbon-ring-based period in NT sliding during pull-out is identified. Linear trends in the NT velocity-force relation are observed and used to estimate an effective viscosity coefficient for interfacial sliding at the NT/polymer interface. As a result, the entire process of NT pull-out is characterized by an interfacial friction model that is based on a critical pull-out force, and an analog of Newton's friction law used to describe the NT/polymer interfacial sliding.

Effect of cross-linking of interfacial sodium caseinate by natural processing on the oxidative stability of oil-in-water (o/w) emulsions.

PubMed

Phoon, Pui Yeu; Paul, Lake N; Burgner, John W; San Martin-Gonzalez, M Fernanda; Narsimhan, Ganesan

2014-04-02

This study investigated how enzymatic cross-linking of interfacial sodium caseinate and emulsification, via high-pressure homogenization, influenced the intrinsic oxidative stability of 4% (w/v) menhaden oil-in-water emulsions stabilized by 1% (w/v) caseinate at pH 7. Oil oxidation was monitored by the ferric thiocyanate perioxide value assay. Higher homogenization pressure resulted in improved intrinsic emulsion oxidative stability, which is attributed to increased interfacial cross-linking as indicated by higher weighted average sedimentation coefficients of interfacial protein species (from 11.2 S for 0 kpsi/0.1 MPa to 18 S for 20 kpsi/137.9 MPa). Moderate dosage of transglutaminase at 0.5-1.0 U/mL emulsion enhanced intrinsic emulsion oxidative stability further, despite a contradictory reduction in the antioxidant property of cross-linked caseinate as tested by the 2,2'-azinobis(3-ethylbenzothiazoline-6-sulfonic acid) (ABTS) assay. This implied the prominent role of cross-linked interfacial caseinate as a physical barrier for oxygen transfer, hence its efficacy in retarding oil oxidation.

Role of interfacial charge in the piezoelectric properties of ferroelectric 0-3 composites

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

Wong, C.K.; Shin, F.G.; Department of Applied Physics, Materials Research Center and Center for Smart Materials, Hong Kong Polytechnic University, Hong Kong

2005-02-01

We investigated the effects of compensating charges (at the inclusion-matrix interface) on the piezoelectric properties of ferroelectric 0-3 composites. Our previously developed model [C. K. Wong, Y. M. Poon, and F. G. Shin, J. Appl. Phys. 90, 4690 (2001)] has been extended to include the additional contribution from the deformation of the inclusion particles due to the applied stress in the piezoelectric measurement. The relative significance of this contribution is mainly determined by the amount of compensating interfacial charge, which is significantly governed by the degrees of poling of the constituent materials in the composite sample. This model provides anmore » explanation to an anomaly in the piezoelectric coefficients of 0-3 composite samples with the matrix and inclusion phases polarized in opposite directions. Explicit expressions in closed form have been derived for the effective d{sub 33}, d{sub 31}, and d{sub h} coefficients. After taking into consideration the degree of poling of the constituents and the effects of the compensating interfacial charges, theoretical predictions show good agreement with published experimental data. Goodness of fit is not limited to low volume concentration of inclusions.« less

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

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.

Determination of gas-liquid partition coefficients of several organic solutes in trihexyl(tetradecyl)phosphonium bromide using capillary gas chromatography columns.

PubMed

Ronco, Nicolás R; Menestrina, Fiorella; Romero, Lílian M; Castells, Cecilia B

2017-06-09

In this paper, we report gas-liquid partition constants for thirty-five volatile organic solutes in the room temperature ionic liquid trihexyl(tetradecyl)phosphonium bromide measured by gas-liquid chromatography using capillary columns. The relative contribution of gas-liquid partition and interfacial adsorption to retention was evaluated through the use of columns with different the phase ratio. Four capillary columns with exactly known phase ratios were constructed and employed to measure the solute retention factors at four temperatures between 313.15 and 343.15K. The partition coefficients were calculated from the slopes of the linear regression between solute retention factors and the reciprocal of phase ratio at a given temperature according to the gas-liquid chromatographic theory. Gas-liquid interfacial adsorption was detected for a few solutes and it has been considered for the calculations of partition coefficient. Reliable solute's infinite dilution activity coefficients can be obtained when retention data are determined by a unique partitioning mechanism. The partial molar excess enthalpies at infinite dilution have been estimated from the dependence of experimental values of solute activity coefficients with the column temperature. A thorough discussion of the uncertainties of the experimental measurements and the main advantages of the use of capillary columns to acquire the aforementioned relevant thermodynamic information was performed. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of interfacial species on shear strength of metal-sapphire contacts

NASA Technical Reports Server (NTRS)

Pepper, S. V.

1979-01-01

The interfacial shear strength of the metal-insulator system has been studied by means of the coefficient of static friction of copper, nickel, or gold contacts on sapphire in ultrahigh vacuum. The effect on contact strength of adsorbed oxygen, nitrogen, chlorine, and carbon monoxide on the metal surfaces is reported. It was found that exposures as low as 1 L of O2 on Ni produced observable increases in contact strength, whereas exposures of 3 L of Cl2 lead to a decrease in contact strength. These results imply that submonolayer concentrations of these species at the interface of a thin Ni film on Al2O3 should affect film adhesion similarly. The atomic mechanism by which these surface or interface phases affect interfacial strength is not yet understood.

Static gas-liquid interfacial direct current discharge plasmas using ionic liquid cathode

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

Kaneko, T.; CREST/JST, Tokyo 102-0075; Baba, K.

Due to the unique properties of ionic liquids such as their extremely low vapor pressure and high heat capacity, we have succeeded in creating the static and stable gas (plasmas)-liquid (ionic liquids) interfacial field using a direct current discharge under a low gas pressure condition. It is clarified that the ionic liquid works as a nonmetal liquid electrode, and furthermore, a secondary electron emission coefficient of the ionic liquid is larger than that of conventional metal electrodes. The plasma potential structure of the gas-liquid interfacial region, and resultant interactions between the plasma and the ionic liquid are revealed by changingmore » a polarity of the electrode in the ionic liquid. By utilizing the ionic liquid as a cathode electrode, the positive ions in the plasma region are found to be irradiated to the ionic liquid. This ion irradiation causes physical and chemical reactions at the gas-liquid interfacial region without the vaporization of the ionic liquid.« less

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.

Transport Coefficients from Large Deviation Functions

NASA Astrophysics Data System (ADS)

Gao, Chloe; Limmer, David

2017-10-01

We describe a method for computing transport coefficients from the direct evaluation of large deviation function. This method is general, relying on only equilibrium fluctuations, and is statistically efficient, employing trajectory based importance sampling. Equilibrium fluctuations of molecular currents are characterized by their large deviation functions, which is a scaled cumulant generating function analogous to the free energy. A diffusion Monte Carlo algorithm is used to evaluate the large deviation functions, from which arbitrary transport coefficients are derivable. We find significant statistical improvement over traditional Green-Kubo based calculations. The systematic and statistical errors of this method are analyzed in the context of specific transport coefficient calculations, including the shear viscosity, interfacial friction coefficient, and thermal conductivity.

A model of air-sea gas exchange incorporating the physics of the turbulent boundary layer and the properties of the sea surface

NASA Astrophysics Data System (ADS)

Soloviev, Alexander; Schluessel, Peter

The model presented contains interfacial, bubble-mediated, ocean mixed layer, and remote sensing components. The interfacial (direct) gas transfer dominates under conditions of low and—for quite soluble gases like CO2—moderate wind speeds. Due to the similarity between the gas and heat transfer, the temperature difference, ΔT, across the thermal molecular boundary layer (cool skin of the ocean) and the interfacial gas transfer coefficient, Kint are presumably interrelated. A coupled parameterization for ΔT and Kint has been derived in the context of a surface renewal model [Soloviev and Schluessel, 1994]. In addition to the Schmidt, Sc, and Prandtl, Pr, numbers, the important parameters are the surface Richardson number, Rƒ0, and the Keulegan number, Ke. The more readily available cool skin data are used to determine the coefficients that enter into both parameterizations. At high wind speeds, the Ke-number dependence is further verified with the formula for transformation of the surface wind stress to form drag and white capping, which follows from the renewal model. A further extension of the renewal model includes effects of solar radiation and rainfall. The bubble-mediated component incorporates the Merlivat et al. [1993] parameterization with the empirical coefficients estimated by Asher and Wanninkhof [1998]. The oceanic mixed layer component accounts for stratification effects on the air-sea gas exchange. Based on the example of GasEx-98, we demonstrate how the results of parameterization and modeling of the air-sea gas exchange can be extended to the global scale, using remote sensing techniques.

Absorption coefficients of silicon: A theoretical treatment

NASA Astrophysics Data System (ADS)

Tsai, Chin-Yi

2018-05-01

A theoretical model with explicit formulas for calculating the optical absorption and gain coefficients of silicon is presented. It incorporates direct and indirect interband transitions and considers the effects of occupied/unoccupied carrier states. The indirect interband transition is calculated from the second-order time-independent perturbation theory of quantum mechanics by incorporating all eight possible routes of absorption or emission of photons and phonons. Absorption coefficients of silicon are calculated from these formulas. The agreements and discrepancies among the calculated results, the Rajkanan-Singh-Shewchun (RSS) formula, and Green's data are investigated and discussed. For example, the RSS formula tends to overestimate the contributions of indirect transitions for cases with high photon energy. The results show that the state occupied/unoccupied effect is almost negligible for silicon absorption coefficients up to the onset of the optical gain condition where the energy separation of Quasi-Femi levels between electrons and holes is larger than the band-gap energy. The usefulness of using the physics-based formulas, rather than semi-empirical fitting ones, for absorption coefficients in theoretical studies of photovoltaic devices is also discussed.

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

PubMed

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

2016-10-21

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

An indirect approach to the extensive calculation of relationship coefficients

PubMed Central

Colleau, Jean-Jacques

2002-01-01

A method was described for calculating population statistics on relationship coefficients without using corresponding individual data. It relied on the structure of the inverse of the numerator relationship matrix between individuals under investigation and ancestors. Computation times were observed on simulated populations and were compared to those incurred with a conventional direct approach. The indirect approach turned out to be very efficient for multiplying the relationship matrix corresponding to planned matings (full design) by any vector. Efficiency was generally still good or very good for calculating statistics on these simulated populations. An extreme implementation of the method is the calculation of inbreeding coefficients themselves. Relative performances of the indirect method were good except when many full-sibs during many generations existed in the population. PMID:12270102

Structural phase transitions and time-resolved dynamics of solid-supported interfacial methanol observed by reflection electron diffraction

NASA Astrophysics Data System (ADS)

Yang, Ding-Shyue; He, Xing; Wu, Chengyi

Due to their large scattering cross sections with matter, electrons are suitable for contactless probing of solid-supported surface assemblies, especially in a reflection geometry. Direct visualization of assembly structures through electron diffraction further enables studies of ultrafast structural dynamics through the pump-probe scheme as well as discoveries of hidden phase changes in equilibrium that have been obscure in spectroscopic measurements. In this presentation, we report our first observation of unique two-stage transformations of interfacial methanol on smooth hydrophobic surfaces. The finding may reconcile the inconsistent previous reports of the crystallization temperature using various indirect methods. Dynamically, energy transfer across a solid-molecule interface following photoexcitation of the substrate is found to be highly dependent on the structure of interfacial methanol. If it is only 2-dimensionally ordered, as the film thickness increases, a prolonged time in the decrease of diffraction intensity is seen, signifying an inefficient vibrational coupling in the surface normal direction. Implications of the dynamics results and an outlook of interfacial studies using time-resolved and averaged electron diffraction will be discussed. We gratefully acknowledge the support from the R. A. Welch Foundation (Grant No. E-1860), the Donors of the American Chemical Society Petroleum Research Fund (ACS-PRF), and the University of Houston.

Role of oxygen functional groups for structure and dynamics of interfacial water on low rank coal surface: a molecular dynamics simulation

NASA Astrophysics Data System (ADS)

You, Xiaofang; Wei, Hengbin; Zhu, Xianchang; Lyu, Xianjun; Li, Lin

2018-07-01

Molecular dynamics simulations were employed to study the effects of oxygen functional groups for structure and dynamics properties of interfacial water molecules on the subbituminous coal surface. Because of complex composition and structure, the graphite surface modified by hydroxyl, carboxyl and carbonyl groups was used to represent the surface model of subbituminous coal according to XPS results, and the composing proportion for hydroxyl, carbonyl and carboxyl is 25:3:5. The hydration energy with -386.28 kJ/mol means that the adsorption process between water and coal surface is spontaneous. Density profiles for oxygen atoms and hydrogen atoms indicate that the coal surface properties affect the structural and dynamic characteristics of the interfacial water molecules. The interfacial water exhibits much more ordering than bulk water. The results of radial distribution functions, mean square displacement and local self-diffusion coefficient for water molecule related to three oxygen moieties confirmed that the water molecules prefer to absorb with carboxylic groups, and adsorption of water molecules at the hydroxyl and carbonyl is similar.

Estimation of interfacial heat transfer coefficient in inverse heat conduction problems based on artificial fish swarm algorithm

NASA Astrophysics Data System (ADS)

Wang, Xiaowei; Li, Huiping; Li, Zhichao

2018-04-01

The interfacial heat transfer coefficient (IHTC) is one of the most important thermal physical parameters which have significant effects on the calculation accuracy of physical fields in the numerical simulation. In this study, the artificial fish swarm algorithm (AFSA) was used to evaluate the IHTC between the heated sample and the quenchant in a one-dimensional heat conduction problem. AFSA is a global optimization method. In order to speed up the convergence speed, a hybrid method which is the combination of AFSA and normal distribution method (ZAFSA) was presented. The IHTC evaluated by ZAFSA were compared with those attained by AFSA and the advanced-retreat method and golden section method. The results show that the reasonable IHTC is obtained by using ZAFSA, the convergence of hybrid method is well. The algorithm based on ZAFSA can not only accelerate the convergence speed, but also reduce the numerical oscillation in the evaluation of IHTC.

Spin-orbit torques from interfacial spin-orbit coupling for various interfaces

NASA Astrophysics Data System (ADS)

Kim, Kyoung-Whan; Lee, Kyung-Jin; Sinova, Jairo; Lee, Hyun-Woo; Stiles, M. D.

2017-09-01

We use a perturbative approach to study the effects of interfacial spin-orbit coupling in magnetic multilayers by treating the two-dimensional Rashba model in a fully three-dimensional description of electron transport near an interface. This formalism provides a compact analytic expression for current-induced spin-orbit torques in terms of unperturbed scattering coefficients, allowing computation of spin-orbit torques for various contexts, by simply substituting scattering coefficients into the formulas. It applies to calculations of spin-orbit torques for magnetic bilayers with bulk magnetism, those with interface magnetism, a normal-metal/ferromagnetic insulator junction, and a topological insulator/ferromagnet junction. It predicts a dampinglike component of spin-orbit torque that is distinct from any intrinsic contribution or those that arise from particular spin relaxation mechanisms. We discuss the effects of proximity-induced magnetism and insertion of an additional layer and provide formulas for in-plane current, which is induced by a perpendicular bias, anisotropic magnetoresistance, and spin memory loss in the same formalism.

Spin-orbit torques from interfacial spin-orbit coupling for various interfaces.

PubMed

Kim, Kyoung-Whan; Lee, Kyung-Jin; Sinova, Jairo; Lee, Hyun-Woo; Stiles, M D

2017-09-01

We use a perturbative approach to study the effects of interfacial spin-orbit coupling in magnetic multilayers by treating the two-dimensional Rashba model in a fully three-dimensional description of electron transport near an interface. This formalism provides a compact analytic expression for current-induced spin-orbit torques in terms of unperturbed scattering coefficients, allowing computation of spin-orbit torques for various contexts, by simply substituting scattering coefficients into the formulas. It applies to calculations of spin-orbit torques for magnetic bilayers with bulk magnetism, those with interface magnetism, a normal metal/ferromagnetic insulator junction, and a topological insulator/ferromagnet junction. It predicts a dampinglike component of spin-orbit torque that is distinct from any intrinsic contribution or those that arise from particular spin relaxation mechanisms. We discuss the effects of proximity-induced magnetism and insertion of an additional layer and provide formulas for in-plane current, which is induced by a perpendicular bias, anisotropic magnetoresistance, and spin memory loss in the same formalism.

Spin-orbit torques from interfacial spin-orbit coupling for various interfaces

PubMed Central

Kim, Kyoung-Whan; Lee, Kyung-Jin; Sinova, Jairo; Lee, Hyun-Woo; Stiles, M. D.

2017-01-01

We use a perturbative approach to study the effects of interfacial spin-orbit coupling in magnetic multilayers by treating the two-dimensional Rashba model in a fully three-dimensional description of electron transport near an interface. This formalism provides a compact analytic expression for current-induced spin-orbit torques in terms of unperturbed scattering coefficients, allowing computation of spin-orbit torques for various contexts, by simply substituting scattering coefficients into the formulas. It applies to calculations of spin-orbit torques for magnetic bilayers with bulk magnetism, those with interface magnetism, a normal metal/ferromagnetic insulator junction, and a topological insulator/ferromagnet junction. It predicts a dampinglike component of spin-orbit torque that is distinct from any intrinsic contribution or those that arise from particular spin relaxation mechanisms. We discuss the effects of proximity-induced magnetism and insertion of an additional layer and provide formulas for in-plane current, which is induced by a perpendicular bias, anisotropic magnetoresistance, and spin memory loss in the same formalism. PMID:29333523

Thermoelectric Properties of Complex Oxide Heterostructures

NASA Astrophysics Data System (ADS)

Cain, Tyler Andrew

Thermoelectrics are a promising energy conversion technology for power generation and cooling systems. The thermal and electrical properties of the materials at the heart of thermoelectric devices dictate conversion efficiency and technological viability. Studying the fundamental properties of potentially new thermoelectric materials is of great importance for improving device performance and understanding the electronic structure of materials systems. In this dissertation, investigations on the thermoelectric properties of a prototypical complex oxide, SrTiO3, are discussed. Hybrid molecular beam epitaxy (MBE) is used to synthesize La-doped SrTiO3 thin films, which exhibit high electron mobilities and large Seebeck coefficients resulting in large thermoelectric power factors at low temperatures. Large interfacial electron densities have been observed in SrTiO3/RTiO 3 (R=Gd,Sm) heterostructures. The thermoelectric properties of such heterostructures are investigated, including the use of a modulation doping approach to control interfacial electron densities. Low-temperature Seebeck coefficients of extreme electron-density SrTiO3 quantum wells are shown to provide insight into their electronic structure.

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.

A Combined Experimental and Numerical Technique to Estimate Interfacial Bond Strength in MMC-Encapsulated Ceramic Systems

DTIC Science & Technology

2013-03-01

with density, Young’s modulus, coefficient of thermal expansion , and Poisson’s ratio, of 3.2 cm 3 , 449 GPa, 4.0 × 10 –6 o C –1 , and 0.16...considers the effect of hydrostatic pressure (confinement) on the strength of ceramics and was implemented using a user subroutine in ABAQUS . The...Due to the high temperature of the encapsulation casting process and the large differential in coefficients of thermal expansion (CTE) between the MMC

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

NASA Astrophysics Data System (ADS)

Doup, Benjamin Casey

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

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

NASA Technical Reports Server (NTRS)

Kassemi, Mohammad; Kartuzova, Olga; Hylton, Sonya

2015-01-01

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

Molecular modeling of fibronectin adsorption on topographically nanostructured rutile (110) surfaces

NASA Astrophysics Data System (ADS)

Guo, Chuangqiang; Wu, Chunya; Chen, Mingjun; Zheng, Ting; Chen, Ni; Cummings, Peter T.

2016-10-01

To investigate the topographical dependency of protein adsorption, molecular dynamics simulations were employed to describe the adsorption behavior of the tenth type-III module of fibronectin (FN-III10) on nanostructured rutile (110) surfaces. The results indicated that the residence time of adsorbed FN-III10 largely relied on its binding mode (direct or indirect) with the substrate and the region for protein migration on the periphery (protrusion) or in the interior (cavity or groove) of nanostructures. In the direct binding mode, FN-III10 molecules were found to be 'trapped' at the anchoring sites of rutile surface, or even penetrate deep into the interior of nanostructures, regardless of the presented geometrical features. In the indirect binding mode, FN-III10 molecules were indirectly connected to the substrate via a hydrogen-bond network (linking FN-III10 and interfacial hydrations). The facets created by nanostructures, which exerted restraints on protein migration, were suggested to play an important role in the stability of indirect FN-III10-rutile binding. However, a doubly unfavorable situation - indirect FN-III10-rutile connections bridged by a handful of mediating waters and few constraints on movement of protein provided by nanostructures - would result in an early desorption of protein.

Indirect Measurement of Local Condensing Heat-Transfer Coefficient Around Horizontal Finned Tubes

DTIC Science & Technology

1987-09-01

vapor-sidp coefficients exceeded Nusselt values by factors of approximately 7 to 9 (for a constant temperature drop across the condensate film). Honda...3/8 in.) diameter water-cooled copper tubes helically coiled to a height of 457 mm (le In.). The auxiliary condenser was cooled by a continuous...NAVAL POSTGRADUATE SCHOOL Monterey, California , " I - . 0) I DECI 41987S:,• c ý ! i, THESIS INDIRECT MEASUREMENT OF LOCAL CONDENSING HEAT-TRANSFER

Effect of polarization fatigue on the Rayleigh coefficients of ferroelectric lead zirconate titanate thin films: Experimental evidence and implications

NASA Astrophysics Data System (ADS)

Lou, X. J.; Zhang, H. J.; Luo, Z. D.; Zhang, F. P.; Liu, Y.; Liu, Q. D.; Fang, A. P.; Dkhil, B.; Zhang, M.; Ren, X. B.; He, H. L.

2014-09-01

The effect of polarization fatigue on the Rayleigh coefficients of ferroelectric lead zirconate titanate (PZT) thin film was systematically investigated. It was found that electrical fatigue strongly affects the Rayleigh behaviour of the PZT film. Both the reversible and irreversible Rayleigh coefficients decrease with increasing the number of switching cycles. This phenomenon is attributed to the growth of an interfacial degraded layer between the electrode and the film during electrical cycling. The methodology used in this work could serve as an alternative way for evaluating the fatigue endurance and degradation in dielectric properties of ferroelectric thin-film devices during applications.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

Associations between parental BMI, socioeconomic factors, family structure and overweight in Finnish children: a path model approach.

PubMed

Parikka, Suvi; Mäki, Päivi; Levälahti, Esko; Lehtinen-Jacks, Susanna; Martelin, Tuija; Laatikainen, Tiina

2015-03-19

The aim of this study was to assess the less studied interrelationships and pathways between parental BMI, socioeconomic factors, family structure and childhood overweight. The cross-sectional LATE-study was carried out in Finland in 2007-2009. The data for the analyses was classified into four categories: younger boys and girls (ca 3-8 years) (n = 2573) and older boys and girls (ca 11-16 years) (n = 1836). Associations between parental BMI, education, labor market status, self-perceived income sufficiency, family structure and childhood overweight were first examined by logistic regression analyses. As parental BMI and education had the most consistent associations with childhood overweight, the direct and indirect (mediated by parental BMI) associations of maternal and paternal education with childhood overweight were further assessed using a path model. Parental BMI and education were the strongest determinants of childhood overweight. Children of overweight parents had an increased risk of being overweight. In younger boys, maternal and paternal education had both direct (b-coefficient paternal -0.21, 95% CI -0.34 to -0.09; maternal -0.17, 95% CI -0.28 to -0.07) and indirect (b-coefficient paternal -0.04, 95% CI -0.07 to -0.02; maternal -0.04, 95% CI -0.06 to -0.02) inverse associations with overweight. Among the older boys, paternal education had both direct (b-coefficient -0.12, 95% CI -0.24 to -0.01) and indirect (b-coefficient -0.03, 95% CI -0.06 to -0.01) inverse associations with overweight, but maternal education had only an indirect association (b-coefficient -0.04, 95% CI -0.07 to -0.02). Among older girls, only an indirect association of maternal education with childhood overweight was found (b-coefficient -0.03, 95% CI -0.06 to -0.01). In younger girls, parental education was not associated with childhood overweight. The observed pathways between parental BMI and education and childhood overweight emphasize a need for evidence-based health promotion interventions tailored for families identified with parental overweight and low level of education.

Resonant indirect optical absorption in germanium

NASA Astrophysics Data System (ADS)

Menéndez, José; Noël, Mario; Zwinkels, Joanne C.; Lockwood, David J.

2017-09-01

The optical absorption coefficient of pure Ge has been determined from high-accuracy, high-precision optical measurements at photon energies covering the spectral range between the indirect and direct gaps. The results are compared with a theoretical model that fully accounts for the resonant nature of the energy denominators that appear in perturbation-theory expansions of the absorption coefficient. The model generalizes the classic Elliott approach to indirect excitons, and leads to a predicted optical absorption that is in excellent agreement with the experimental values using just a single adjustable parameter: the average deformation potential DΓ L coupling electrons at the bottom of the direct and indirect valleys in the conduction band. Remarkably, the fitted value, DΓ L=4.3 ×108eV /cm , is in nearly perfect agreement with independent measurements and ab initio predictions of this parameter, confirming the validity of the proposed theory, which has general applicability.

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

NASA Astrophysics Data System (ADS)

Tafen, De Nyago; Gao, Michael

2011-03-01

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

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

Adsorption and Retardation of PFASs in Soil

NASA Astrophysics Data System (ADS)

Chen, W.; Yan, N.; Fu, X.; Carroll, K. C.; Holguin, F. O. O.; Brusseau, M. L.

2017-12-01

Per- and poly-fluorinated alkyl substances (PFASs) are emerging contaminants of concern that are present in the subsurface at numerous military and industrial facilities. Knowledge of the retention behavior of these compounds in the subsurface environment is critical for effective risk characterization and remediation. The objective of this research is to investigate the role of adsorption at the air-water interface on PFAS retention in vadose-zone systems. Surface tensions were measured for select PFAS to determine interfacial adsorption coefficients. Column experiments were conducted to characterize retardation and transport under saturated and unsaturated flow conditions. The impact of soil properties and groundwater constituents on surface tension, solid-phase adsorption, and interfacial adsorption was investigated.

Indirect techniques in nuclear astrophysics: a review.

PubMed

Tribble, R E; Bertulani, C A; Cognata, M La; Mukhamedzhanov, A M; Spitaleri, C

2014-10-01

In this review, we discuss the present status of three indirect techniques that are used to determine reaction rates for stellar burning processes, asymptotic normalization coefficients, the Trojan Horse method and Coulomb dissociation. A comprehensive review of the theory behind each of these techniques is presented. This is followed by an overview of the experiments that have been carried out using these indirect approaches.

Direct Contact Heat Exchange Interfacial Phenomena for Liquid Metal Reactors: Part II - Void Fraction

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

Abdulla, S.; Liu, X.; Anderson, M.H.

One concept being considered for steam generation in innovative nuclear reactor applications, involves water coming into direct contact with a circulating molten metal. The vigorous agitation of the two fluids, the direct liquid-liquid contact and the consequent large interfacial area can give rise to large heat transfer coefficients and rapid steam generation. For an optimum design of such direct contact heat exchange and vaporization systems, detailed knowledge is necessary of the various flow regimes, interfacial transport phenomena, heat transfer and operational stability. In order to investigate the interfacial transport phenomena, heat transfer and operational stability of direct liquid-liquid contact, amore » series of experiments are being performed in a 1-d test facility at Argonne National Laboratory and a 2-d experimental facility at UW-Madison. Each of the experimental facilities primarily consist of a liquid-metal melt chamber, heated test section (10 cm diameter tube for 1-d facility and 10 cm 50 cm rectangle for 2-d facility), water injection system and steam suppression tank. This paper is part II which, primarily addresses results and analysis of a set of preliminary experiments and void fraction measurements conducted in the 2-d facility at UW-Madison, part I deals with the heat transfer in the 1-d test facility at Argonne National Laboratory. A real-time high energy X-ray imaging system was developed and utilized to visualize the multiphase flow and measure line-average local void fractions, time-dependent void fraction distribution as well as estimates of the vapor bubble sizes and velocities. These measurements allowed us to determine the volumetric heat transfer coefficient and gain insight into the local heat transfer mechanisms. In this study, the images were captured at frame rates of 100 fps with spatial resolution of about 7 mm with a full-field view of a 15 cm square and five different positions along the test section height. The full-field average void fraction increases rapidly to about 15% in these preliminary tests, with the apparent boiling length of less than 20 cm. The volumetric heat transfer coefficient between the liquid metal and water are compared to the CRIEPI data, the only prior data for direct contact heat exchange for these liquid metal/water systems. (authors)« less

Phase-field model for isothermal phase transitions in binary alloys

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

Grafting of polyethylenimine onto cellulose nanofibers for interfacial enhancement in their epoxy nanocomposites.

PubMed

Zhao, Jiangqi; Li, Qingye; Zhang, Xiaofang; Xiao, Meijie; Zhang, Wei; Lu, Canhui

2017-02-10

Cellulose nanofibers (CNFs) were surface-modified with polyethyleneimine (PEI), which brought plentiful amine groups on the surface of CNFs, leading to a reduced hydrogen bond density between CNFs and consequently less CNFs agglomerates. The amine groups could also react with the epoxy as an effective curing agent that could increase the interfacial crosslinking density and strengthen interfacial adhesion. The tensile strength and Young's modulus of CNFs-PEI/Epoxy nanocomposites were 88.1% and 237.6% higher than those of neat epoxy, respectively. The tensile storage modulus of the nanocomposites also increased significantly at the temperature either below or above the Tg. The coefficient of thermal expansion for the CNFs-PEI/Epoxy nanocomposites was 22.2ppmK -1 , much lower than that of the neat epoxy (88.6ppmK -1 ). In addition, the thermal conductivity of the nanocomposites was observed to increase as well. The exceptional and balanced properties may provide the nanocomposites promising applications in automotive, construction and electronic devices. Copyright © 2016 Elsevier Ltd. All rights reserved.

Diffusion in phospholipid bilayer membranes: dual-leaflet dynamics and the roles of tracer–leaflet and inter-leaflet coupling

PubMed Central

Hill, Reghan J.; Wang, Chih-Ying

2014-01-01

A variety of observations—sometimes controversial—have been made in recent decades when attempting to elucidate the roles of interfacial slip on tracer diffusion in phospholipid membranes. Evans–Sackmann theory (1988) has furnished membrane viscosities and lubrication-film thicknesses for supported membranes from experimentally measured lateral diffusion coefficients. Similar to the Saffman and Delbrück model, which is the well-known counterpart for freely supported membranes, the bilayer is modelled as a single two-dimensional fluid. However, the Evans–Sackman model cannot interpret the mobilities of monotopic tracers, such as individual lipids or rigidly bound lipid assemblies; neither does it account for tracer–leaflet and inter-leaflet slip. To address these limitations, we solve the model of Wang and Hill, in which two leaflets of a bilayer membrane, a circular tracer and supports are coupled by interfacial friction, using phenomenological friction/slip coefficients. This furnishes an exact solution that can be readily adopted to interpret the mobilities of a variety of mosaic elements—including lipids, integral monotopic and polytopic proteins, and lipid rafts—in supported bilayer membranes. PMID:25002822

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 .

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

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

NONE

1996-12-31

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

Colloidal models. A bit of history.

PubMed

Lyklema, Johannes

2015-05-15

This paper offers an anthology on developments in colloid and interface science emphasizing themes that may be of direct or indirect interest to Interfaces Against Pollution. Topics include the determination of Avogadro's number, development in the insight into driving forces for double layer formation, colloid stability, thin films, and thermodynamic approaches in interfacial electrochemistry. Some personal reminiscences of key players in the field are included, partly to illustrate historical developments. Copyright © 2014 Elsevier Inc. All rights reserved.

Real-time single-molecule observations of proteins at the solid-liquid interface

NASA Astrophysics Data System (ADS)

Langdon, Blake Brianna

Non-specific protein adsorption to solid surfaces is pervasive and observed across a broad spectrum of applications including biomaterials, separations, pharmaceuticals, and biosensing. Despite great interest in and considerable literature dedicated to the phenomena, a mechanistic understanding of this complex phenomena is lacking and remains controversial, partially due to the limits of ensemble-averaging techniques used to study it. Single-molecule tracking (SMT) methods allow us to study distinct protein dynamics (e.g. adsorption, desorption, diffusion, and intermolecular associations) on a molecule-by-molecule basis revealing the protein population and spatial heterogeneity inherent in protein interfacial behavior. By employing single-molecule total internal reflection fluorescence microscopy (SM-TIRFM), we have developed SMT methods to directly observe protein interfacial dynamics at the solid-liquid interface to build a better mechanistic understanding of protein adsorption. First, we examined the effects of surface chemistry (e.g. hydrophobicity, hydrogen-bonding capacity), temperature, and electrostatics on isolated protein desorption and interfacial diffusion for fibrinogen (Fg) and bovine serum albumin (BSA). Next, we directly and indirectly probed the effects of protein-protein interactions on interfacial desorption, diffusion, aggregation, and surface spatial heterogeneity on model and polymeric thin films. These studies provided many useful insights into interfacial protein dynamics including the following observations. First, protein adsorption was reversible, with the majority of proteins desorbing from all surface chemistries within seconds. Isolated protein-surface interactions were relatively weak on both hydrophobic and hydrophilic surfaces (apparent desorption activation energies of only a few kBT). However, proteins could dynamically and reversibly associate at the interface, and these interfacial associations led to proteins remaining on the surface for longer time intervals. Surface chemistry and surface spatial heterogeneity (i.e. surface sites with different binding strengths) were shown to influence adsorption, desorption, and interfacial protein-protein associations. For example, faster protein diffusion on hydrophobic surfaces increased protein-protein associations and, at higher protein surface coverage, led to proteins remaining on hydrophobic surfaces longer than on hydrophilic surfaces. Ultimately these studies suggested that surface properties (chemistry, heterogeneity) influence not only protein-surface interactions but also interfacial mobility and protein-protein associations, implying that surfaces that better control protein adsorption can be designed by accounting for these processes.

Interaction of Antiinflammatory Drugs with EPC Liposomes: Calorimetric Study in a Broad Concentration Range

PubMed Central

Matos, Carla; Lima, José L. C.; Reis, Salette; Lopes, António; Bastos, Margarida

2004-01-01

Isothermal titration calorimetry was used to characterize and quantify the partition of indomethacin and acemetacin between the bulk aqueous phase and the membrane of egg phosphatidylcholine vesicles. Significant electrostatic effects were observed due to binding of the charged drugs to the membrane, which implied the use of the Gouy-Chapman theory to calculate the interfacial concentrations. The binding/partition phenomenon was quantified in terms of the partition coefficient (Kp), and/or the equilibrium constant (Kb). Mathematical expressions were developed, either to encompass the electrostatic effects in the partition model, or to numerically relate partition coefficients and binding constants. Calorimetric titrations conducted under a lipid/drug ratio >100:1 lead to a constant heat release and were used to directly calculate the enthalpy of the process, ΔH, and indirectly, ΔG and ΔS. As the lipid/drug ratio decreased, the constancy of reaction enthalpy was tested in the fitting process. Under low lipid/drug ratio conditions simple partition was no longer valid and the interaction phenomenon was interpreted in terms of binding isotherms. A mathematical expression was deduced for quantification of the binding constants and the number of lipid molecules associated with one drug molecule. The broad range of concentrations used stressed the biphasic nature of the interaction under study. As the lipid/drug ratio was varied, the results showed that the interaction of both drugs does not present a unique behavior in all studied regimes: the extent of the interaction, as well as the binding stoichiometry, is affected by the lipid/drug ratio. The change in these parameters reflects the biphasic behavior of the interaction—possibly the consequence of a modification of the membrane's physical properties as it becomes saturated with the drug. PMID:14747330

Quantification of bulk solution limits for liquid and interfacial transport in nanoconfinements.

PubMed

Kelly, Shaina; Balhoff, Matthew T; Torres-Verdín, Carlos

2015-02-24

Liquid imbibition, the capillary-pressure-driven flow of a liquid into a gas, provides a mechanism for studying the effects of solid-liquid and solid-liquid-gas interfaces on nanoscale transport. Deviations from the classic Washburn equation for imbibition are generally observed for nanoscale imbibition, but the identification of the origin of these irregularities in terms of transport variables varies greatly among investigators. We present an experimental method and corresponding image and data analysis scheme that enable the determination of independent effective values of nanoscale capillary pressure, liquid viscosity, and interfacial gas partitioning coefficients, all critical transport variables, from imbibition within nanochannels. Experiments documented herein are performed within two-dimensional siliceous nanochannels of varying size and as small as 30 nm × 60 nm in cross section. The wetting fluid used is the organic solvent isopropanol and the nonwetting fluid is air, but investigations are not limited to these fluids. Optical data of dynamic flow are rare in geometries that are nanoscale in two dimensions due to the limited resolution of optical microscopy. We are able to capture tracer-free liquid imbibition with reflected differential interference contrast microscopy. Results with isopropanol show a significant departure from bulk transport values in the nanochannels: reduced capillary pressures, increased liquid viscosity, and nonconstant interfacial mass-transfer coefficients. The findings equate to the nucleation of structured, quasi-crystalline boundary layers consistently ∼10-25 nm in extent. This length is far thicker than the boundary layer range prescribed by long-range intermolecular force interactions. Slower but linear imbibition in some experimental cases suggests that structured boundary layers may inhibit viscous drag at confinement walls for critical nanochannel dimensions. Probing the effects of nanoconfinement on the definitions of capillary pressure, viscosity, and interfacial mass transfer is critical in determining and improving the functionality and fluid transport efficacy of geological, biological, and synthetic nanoporous media and materials.

Priority design parameters of industrialized optical fiber sensors in civil engineering

NASA Astrophysics Data System (ADS)

Wang, Huaping; Jiang, Lizhong; Xiang, Ping

2018-03-01

Considering the mechanical effects and the different paths for transferring deformation, optical fiber sensors commonly used in civil engineering have been systematically classified. Based on the strain transfer theory, the relationship between the strain transfer coefficient and allowable testing error is established. The proposed relationship is regarded as the optimal control equation to obtain the optimal value of sensors that satisfy the requirement of measurement precision. Furthermore, specific optimization design methods and priority design parameters of the classified sensors are presented. This research indicates that (1) strain transfer theory-based optimization design method is much suitable for the sensor that depends on the interfacial shear stress to transfer the deformation; (2) the priority design parameters are bonded (sensing) length, interfacial bonded strength, elastic modulus and radius of protective layer and thickness of adhesive layer; (3) the optimization design of sensors with two anchor pieces at two ends is independent of strain transfer theory as the strain transfer coefficient can be conveniently calibrated by test, and this kind of sensors has no obvious priority design parameters. Improved calibration test is put forward to enhance the accuracy of the calibration coefficient of end-expanding sensors. By considering the practical state of sensors and the testing accuracy, comprehensive and systematic analyses on optical fiber sensors are provided from the perspective of mechanical actions, which could scientifically instruct the application design and calibration test of industrialized optical fiber sensors.

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.

Interfacial activity of polymeric surfactants at the polystyrene-carbon dioxide interface

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

Harrison, K.L.; Rocha, S.R.P. da; Yates, M.Z.

1998-11-24

The reduction of the interfacial tension at the polystyrene (PS, M{sub n} = 1850)-supercritical CO{sub 2} interface is reported for poly(1,1-dihydroperfluorooctyl acrylate)(PFOA) and the block copolymers PS-b-PFOA(3.7K/27K) and PS-b-poly(dimethylsiloxane) (PDMS) (2K/16K, 500/10K) at 45 C. PS-b-PDMS (2K/16K) lowers the interfacial tension to 0.5 dyn/cm at 45 C and 238 bar, more than that of any of the other copolymers. On the basis of the dynamics of the lowering of the interfacial tension, the apparent diffusion coefficient of PS-b-PDMS (2K/16K) is 8 {times} 10{sup {minus}6} cm{sup 2}/s. The critical micelle concentration of PS-b-PFOA (3.7K/27K) is 9 {times} 10{sup {minus}4} wt %.more » Whereas both the PDMS- and PFOA-based copolymers studied adsorb on the PS surface, PS-b-PFOA is much more effective in stabilizing the PS emulsions. The difference in stabilization is discussed in terms of the surfactant adsorption and the interactions of the anchor and buoy blocks with CO{sub 2} and the PS surface.« less

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.

Surface velocity divergence model of air/water interfacial gas transfer in open-channel flows

NASA Astrophysics Data System (ADS)

Sanjou, M.; Nezu, I.; Okamoto, T.

2017-04-01

Air/water interfacial gas transfer through a free surface plays a significant role in preserving and restoring water quality in creeks and rivers. However, direct measurements of the gas transfer velocity and reaeration coefficient are still difficult, and therefore a reliable prediction model needs to be developed. Varying systematically the bulk-mean velocity and water depth, laboratory flume experiments were conducted and we measured surface velocities and dissolved oxygen (DO) concentrations in open-channel flows to reveal the relationship between DO transfer velocity and surface divergence (SD). Horizontal particle image velocimetry measurements provide the time-variations of surface velocity divergence. Positive and negative regions of surface velocity divergence are transferred downstream in time, as occurs in boil phenomenon on natural river free-surfaces. The result implies that interfacial gas transfer is related to bottom-situated turbulence motion and vertical mass transfer. The original SD model focuses mainly on small-scale viscous motion, and this model strongly depends on the water depth. Therefore, we modify the SD model theoretically to accommodate the effects of the water depth on gas transfer, introducing a non-dimensional parameter that includes contributions of depth-scale large-vortex motion, such as secondary currents, to surface renewal events related to DO transport. The modified SD model proved effective and reasonable without any dependence on the bulk mean velocity and water depth, and has a larger coefficient of determination than the original SD model. Furthermore, modeling of friction velocity with the Reynolds number improves the practicality of a new formula that is expected to be used in studies of natural rivers.

Energy Expenditure in Playground Games in Primary School Children Measured by Accelerometer and Heart Rate Monitors.

PubMed

García-Prieto, Jorge Cañete; Martinez-Vizcaino, Vicente; García-Hermoso, Antonio; Sánchez-López, Mairena; Arias-Palencia, Natalia; Fonseca, Juan Fernando Ortega; Mora-Rodriguez, Ricardo

2017-10-01

The aim of this study was to examine the energy expenditure (EE) measured using indirect calorimetry (IC) during playground games and to assess the validity of heart rate (HR) and accelerometry counts as indirect indicators of EE in children´s physical activity games. 32 primary school children (9.9 ± 0.6 years old, 19.8 ± 4.9 kg · m -2 BMI and 37.6 ± 7.2 ml · kg -1 · min -1 VO 2max ). Indirect calorimetry (IC), accelerometry and HR data were simultaneously collected for each child during a 90 min session of 30 playground games. Thirty-eight sessions were recorded in 32 different children. Each game was recorded at least in three occasions in other three children. The intersubject coefficient of variation within a game was 27% for IC, 37% for accelerometry and 13% for HR. The overall mean EE in the games was 4.2 ± 1.4 kcals · min -1 per game, totaling to 375 ± 122 kcals/per 90 min/session. The correlation coefficient between indirect calorimetry and accelerometer counts was 0.48 (p = .026) for endurance games and 0.21 (p = .574) for strength games. The correlation coefficient between indirect calorimetry and HR was 0.71 (p = .032) for endurance games and 0.48 (p = .026) for strength games. Our data indicate that both accelerometer and HR monitors are useful devices for estimating EE during endurance games, but only HR monitors estimates are accurate for endurance games.

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.

Sherwood correlation for dissolution of pooled NAPL in porous media

NASA Astrophysics Data System (ADS)

Aydin Sarikurt, Derya; Gokdemir, Cagri; Copty, Nadim K.

2017-11-01

The rate of interphase mass transfer from non-aqueous phase liquids (NAPLs) entrapped in the subsurface into the surrounding mobile aqueous phase is commonly expressed in terms of Sherwood (Sh) correlations that are expressed as a function of flow and porous media properties. Because of the lack of precise methods for the estimation of the interfacial area separating the NAPL and aqueous phases, most studies have opted to use modified Sherwood expressions that lump the interfacial area into the interphase mass transfer coefficient. To date, there are only two studies in the literature that have developed non-lumped Sherwood correlations; however, these correlations have undergone limited validation. In this paper controlled dissolution experiments from pooled NAPL were conducted. The immobile NAPL mass is placed at the bottom of a flow cell filled with porous media with water flowing horizontally on top. Effluent aqueous phase concentrations were measured for a wide range of aqueous phase velocities and for two different porous media. To interpret the experimental results, a two-dimensional pore network model of the NAPL dissolution kinetics and aqueous phase transport was developed. The observed effluent concentrations were then used to compute best-fit mass transfer coefficients. Comparison of the effluent concentrations computed with the two-dimensional pore network model to those estimated with one-dimensional analytical solutions indicates that the analytical model which ignores the transport in the lateral direction can lead to under-estimation of the mass transfer coefficient. Based on system parameters and the estimated mass transfer coefficients, non-lumped Sherwood correlations were developed and compared to previously published data. The developed correlations, which are a significant improvement over currently available correlations that are associated with large uncertainties, can be incorporated into future modeling studies requiring non-lumped Sh expressions.

Scattering of antiplane shear waves by a circular cylinder in a traction-free plate

PubMed

Wang; Ying; Li

2000-09-01

Following a well-established formula used by many researchers, the scattering of an anti-plane shear wave by an infinite elastic cylinder of arbitrary relative radius centered in a traction-free two-dimensional isotropic plate has been examined. The plate is divided into three regions by introducing two imaginary planes located symmetrically away from the surface of the cylinder and perpendicular to surfaces of the plate. The wave field is expanded into cylinder wave modes in the central bounded region containing the cylinder, while the fields in the other two outer regions are expanded into plate wave modes. A system of equations determining the expansion coefficients is obtained according to the traction-free boundary conditions on the plate walls and the stress and displacement continuity conditions across the imaginary planes. By taking an appropriate finite number of terms of the infinite expansion series and a few selected points on the two properly chosen virtual planes and the surfaces of the plate through convergence and precision tests, a matrix equation to numerically evaluate the expansion coefficients is found. The method of how to choose the locations of the imaginary planes and the terms of the expansion series as well as the points on each respective boundary is given in Sec. III in detail. Curves of the reflection and transmission coefficients against the relative radius of the cylinder in welded and slip or cracked interfacial conditions are shown. Analysis on the contrast variations of the reflection and transmission coefficients for a cylinder in bonded and debonded interfacial situations is made. The relative errors estimated by the deviation of the numerical results from the principle of the conservation of energy are found to be less than 2%.

X-ray photoelectron spectroscopy and friction studies of nickel-zinc and manganese-zinc ferrites in contact with metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1983-01-01

X-ray photoelectron spectroscopy analysis and sliding friction experiments were conducted with hot-pressed, polycrystalline Ni-Zn and Mn-Zn ferrites in sliding contact with various transition metals at room temperature in a vacuum of 30 nPa. The results indicate that the coefficients of friction for Ni-Zn and Mn-Zn ferrites in contact with metals are related to the relative chemical activity in these metals: the more active the metal, the higher is the coefficient of friction. The coefficients of friction for the ferrites correlate with the free energy of formation of the lowest metal oxide. The interfacial bond can be regarded as a chemical bond between the metal atoms and the oxygen anions in the ferrite surfaces. The adsorption of oxygen on clean metal and ferrite surfaces increases the coefficients of friction for the Ni-Zn and Mn-Zn ferrite-metal interfaces.

Development of a New Method to Investigate the Dynamic Friction Behavior of Interfaces Using a Kolsky Tension Bar

DOE PAGES

Sanborn, B.; Song, B.; Nishida, E.

2017-11-02

In order to understand interfacial interaction of a bi-material during an impact loading event, the dynamic friction coefficient is one of the key parameters that must be characterized and quantified. In this study, a new experimental method to determine the dynamic friction coefficient between two metals was developed by using a Kolsky tension bar and a custom-designed friction fixture. Polyvinylidene fluoride (PVDF) force sensors were used to measure the normal force applied to the friction tribo pairs and the friction force was measured with conventional Kolsky tension bar method. To evaluate the technique, the dynamic friction coefficient between 4340 steelmore » and 7075-T6 aluminum was investigated at an impact speed of approximately 8 m/s. Additionally, the dynamic friction coefficient of the tribo pairs with varied surface roughness was also investigated. The data suggest that higher surface roughness leads to higher friction coefficients at the same speed of 8 m/s.« less

Poroelasticity-driven lubrication in hydrogel interfaces.

PubMed

Reale, Erik R; Dunn, Alison C

2017-01-04

It is widely accepted that hydrogel surfaces are slippery, and have low friction, but dynamic applied stresses alter the hydrogel composition at the interface as water is displaced. The induced osmotic imbalance of compressed hydrogel which cannot swell to equilibrium should drive the resistance to slip against it. This paper demonstrates the driving role of poroelasticity in the friction of hydrogel-glass interfaces, specifically how poroelastic relaxation of hydrogels increases adhesion. We translate the work of adhesion into an effective surface energy density that increases with the duration of applied pressure from 10 to 50 mJ m -2 , as measured by micro-indentation. A model of static friction coefficient is derived from an area-based rules of mixture for the surface energies, and predicts the friction coefficient changes upon initiation of slip. For kinetic friction, the competition between duration of contact and relaxation time is quantified by a contacting Péclet number, Pe C . A single length parameter on the scale of micrometers fits these two models to experimental micro-friction data. These models predict how short durations of applied pressure and faster sliding speeds, do not disrupt interfacial hydration; this prevailing water maintains low friction. At low speeds where interface drainage dominates, the osmotic suction works against slip for higher friction. The prediction of friction coefficients after adhesion characterization by micro-indentation makes use of the interplay between poroelasticity, adhesion, and friction. This approach provides a starting point for prediction of, and design for, hydrogel interfacial friction.

Experimental Investigation of Flow Condensation in Microgravity

NASA Technical Reports Server (NTRS)

Lee, Hyoungsoon; Park, Ilchung; Konishi, Christopher; Mudawar, Issam; May, Rochelle I.; Juergens, Jeffery R.; Wagner, James D.; Hall, Nancy R.; Nahra, Henry K.; Hasan, Mohammed M.;

Negative Photoconductance in Heavily Doped Si Nanowire Field-Effect Transistors.

PubMed

Baek, Eunhye; Rim, Taiuk; Schütt, Julian; Baek, Chang-Ki; Kim, Kihyun; Baraban, Larysa; Cuniberti, Gianaurelio

2017-11-08

We report the first observation of negative photoconductance (NPC) in n- and p-doped Si nanowire field-effect transistors (FETs) and demonstrate the strong influence of doping concentrations on the nonconventional optical switching of the devices. Furthermore, we show that the NPC of Si nanowire FETs is dependent on the wavelength of visible light due to the phonon-assisted excitation to multiple conduction bands with different band gap energies that would be a distinct optoelectronic property of indirect band gap semiconductor. We attribute the main driving force of NPC in Si nanowire FETs to the photogenerated hot electrons trapping by dopants ions and interfacial states. Finally, comparing back- and top-gate modulation, we derive the mechanisms of the transition between negative and positive photoconductance regimes in nanowire devices. The transition is decided by the competition between the light-induced interfacial trapping and the recombination of mobile carriers, which is dependent on the light intensity and the doping concentration.

Relating the variation of secondary structure of gelatin at fish oil-water interface to adsorption kinetics, dynamic interfacial tension and emulsion stability.

PubMed

Liu, Huihua; Wang, Bo; Barrow, Colin J; Adhikari, Benu

2014-01-15

The objectives of this study were to quantify the relationship between secondary structure of gelatin and its adsorption at the fish-oil/water interface and to quantify the implication of the adsorption on the dynamic interfacial tension (DST) and emulsion stability. The surface hydrophobicity of the gelatin solutions decreased when the pH increased from 4.0 to 6.0, while opposite tend was observed in the viscosity of the solution. The DST values decreased as the pH increased from 4.0 to 6.0, indicating that higher positive charges (measured trough zeta potential) in the gelatin solution tended to result in higher DST values. The adsorption kinetics of the gelatin solution was examined through the calculated diffusion coefficients (Deff). The addition of acid promoted the random coil and β-turn structures at the expense of α-helical structure. The addition of NaOH decreased the β-turn and increased the α-helix and random coil. The decrease in the random coil and triple helix structures in the gelatin solution resulted into increased Deff values. The highest diffusion coefficients, the highest emulsion stability and the lowest amount of random coil and triple helix structures were observed at pH=4.8. The lowest amount of random coil and triple helix structures in the interfacial protein layer correlated with the highest stability of the emulsion (highest ESI value). The lower amount of random coil and triple helix structures allowed higher coverage of the oil-water interface by relatively highly ordered secondary structure of gelatin. Copyright © 2013 Elsevier Ltd. All rights reserved.

Interfacial spreading effects on one-dimensional organic liquid imbibition in water-wetted porous media

NASA Astrophysics Data System (ADS)

McBride, J. F.; Simmons, C. S.; Cary, J. W.

1992-10-01

The spreading coefficient, Csp, determines whether an organic immiscible liquid, OIL, will form a lens ( Csp < 0) or will spread spontaneously ( Csp > 0) on a water surface. An OIL that forms a lens does not perfectly wet the water surface and therefore has a contact angle greater than 0°. The one-dimensional rate at which an OIL spreads spontaneously on a water surface is proportional to the square root of Csp. Of the OIL's that pose a contaminant threat to the subsurface, the majority has a non-zero Csp. To test the influence of such interfacial spreading phenomena on OIL infiltration in a pristine vadose zone, upward OIL and water imbibition infiltration experiments were performed in glass-bead columns, moistened with water, by using OIL's with different Csp. An analytical model for saturated liquid front rise was used to inversely estimate the effective capillary pressure head at the front and the average liquid conductivity. A nonspreading OIL ( Csp ≪ 0) exhibited a reduced capillary pressure head in the water-wetted glass beads. A spontaneously spreading OIL ( Csp ≫0) manifested an enhanced capillary pressure head. Reduced capillary pressure head was associated with an increase in average conductivity, and enhanced capillary pressure head was associated with a decrease in average conductivity when compared to the average water conductivity during water imbibition. The employed experimental method and mathematical analysis of dynamic flow, subject to interfacial spreading phenomena, are practical for quantifying parameters for use in sharp-front OIL infiltration models, but more research is needed to determine how to incorporate the spreading coefficient in numerical multiphase flow models.

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

Insilico study of the A(2A)R-D (2)R kinetics and interfacial contact surface for heteromerization.

PubMed

Prakash, Amresh; Luthra, Pratibha Mehta

2012-10-01

G-protein-coupled receptors (GPCRs) are cell surface receptors. The dynamic property of receptor-receptor interactions in GPCRs modulates the kinetics of G-protein signaling and stability. In the present work, the structural and dynamic study of A(2A)R-D(2)R interactions was carried to acquire the understanding of the A(2A)R-D(2)R receptor activation and deactivation process, facilitating the design of novel drugs and therapeutic target for Parkinson's disease. The structure-based features (Alpha, Beta, SurfAlpha, and SurfBeta; GapIndex, Leakiness and Gap Volume) and slow mode model (ENM) facilitated the prediction of kinetics (K (off), K (on), and K (d)) of A(2A)R-D(2)R interactions. The results demonstrated the correlation coefficient 0.294 for K (d) and K (on) and the correlation coefficient 0.635 for K (d) and K (off), and indicated stable interfacial contacts in the formation of heterodimer. The coulombic interaction involving the C-terminal tails of the A(2A)R and intracellular loops (ICLs) of D(2)R led to the formation of interfacial contacts between A(2A)R-D(2)R. The properties of structural dynamics, ENM and KFC server-based hot-spot analysis illustrated the stoichiometry of A(2A)R-D(2)R contact interfaces as dimer. The propensity of amino acid residues involved in A(2A)R-D(2)R interaction revealed the presence of positively (R, H and K) and negatively (E and D) charged structural motif of TMs and ICL3 of A(2A)R and D(2)R at interface of dimer contact. Essentially, in silico structural and dynamic study of A(2A)R-D(2)R interactions will provide the basic understanding of the A(2A)R-D(2)R interfacial contact surface for activation and deactivation processes, and could be used as constructive model to recognize the protein-protein interactions in receptor assimilations.

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.

Measurements of Submicron Particle Adsorption and Particle Film Elasticity at Oil-Water Interfaces.

PubMed

Manga, Mohamed S; Hunter, Timothy N; Cayre, Olivier J; York, David W; Reichert, Matthew D; Anna, Shelly L; Walker, Lynn M; Williams, Richard A; Biggs, Simon R

2016-05-03

The influence of particle adsorption on liquid/liquid interfacial tension is not well understood, and much previous research has suggested conflicting behaviors. In this paper we investigate the surface activity and adsorption kinetics of charge stabilized and pH-responsive polymer stabilized colloids at oil/water interfaces using two tensiometry techniques: (i) pendant drop and (ii) microtensiometer. We found, using both techniques, that charge stabilized particles had little or no influence on the (dynamic) interfacial tension, although dense silica particles affected the "apparent" measured tension in the pendent drop, due to gravity driven elongation of the droplet profile. Nevertheless, this apparent change additionally allowed the study of adsorption kinetics, which was related qualitatively between particle systems by estimated diffusion coefficients. Significant and real interfacial tension responses were measured using ∼53 nm core-shell latex particles with a pH-responsive polymer stabilizer of poly(methyl methacrylate)-b-poly(2-(dimethylamino)ethyl methacrylate) (pMMA-b-pDMAEMA) diblock copolymer. At pH 2, where the polymer is strongly charged, behavior was similar to that of the bare charge-stabilized particles, showing little change in the interfacial tension. At pH 10, where the polymer is discharged and poorly soluble in water, a significant decrease in the measured interfacial tension commensurate with strong adsorption at the oil-water interface was seen, which was similar in magnitude to the surface activity of the free polymer. These results were both confirmed through droplet profile and microtensiometry experiments. Dilational elasticity measurements were also performed by oscillation of the droplet; again, changes in interfacial tension with droplet oscillation were only seen with the responsive particles at pH 10. Frequency sweeps were performed to ascertain the dilational elasticity modulus, with measured values being significantly higher than previously reported for nanoparticle and surfactant systems, and similar in magnitude to protein stabilized droplets.

Investigation of Heat Transfer at the Mold/Metal Interface in Permanent Mold Casting of Light Alloys

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

Robert D. Pehlke; John T. Berry

2005-12-16

Accurate modeling of the metal casting process prior to creating a mold design demands reliable knowledge of the interfacial heat transfer coefficient at the mold metal interface as a function of both time and location. The phenomena concerned with the gap forming between the mold and the solidifying metal are complex but need to be understood before any modeling is attempted. The presence of mold coatings further complicates the situation. A commercial casting was chosen and studied in a gravity permanent mold casting process. The metal/mold interfacial heat transfer coefficient (IHTC) was the focus of the research. A simple, directmore » method has been used to evaluate the IHTC. Both the simulation and experiments have shown that a reasonably good estimate of the heat transfer coefficient could be made in the case studied. It has been found that there is a good agreement between experiments and simulations in the temperature profiles during the solidification process, given that the primary mechanism of heat transfer across the gap in permanent mold casting of light alloys is by conduction across the gap. The procedure utilized to determine the interfacial heat transfer coefficient can be applied to other casting processes. A recently completed project involving The University of Michigan and Mississippi State University, together with several industrial partners, which was supported by the USDOE through the Cast Metals Coalition, examined a number of cases of thermal contact. In an investigation which gave special consideration to the techniques of measurement, several mold coatings were employed and results presented as a function of time. Realistic conditions of coating thickness and type together with an appropriate combination of mold preheat and metal pouring temperature were strictly maintained throughout the investigation. Temperature sensors, in particular thermocouples, play an important part in validating the predictions of solidification models. Cooling curve information, as well as temperature gradient history both in the solidifying metal and within the mold are invariably required to be validated. This validation depends upon the response of the sensor concerned, but also on its own effect upon the thermal environment. A joint university/industry team has completed an investigation of the invasive effects of thermocouples upon temperature history in permanent molds determining the degree of uncertainty associated with placement and indicating how the time-temperature history may be recovered. In addition to its relevance to the all important study of thermal contact of the casting with metallic molds, the observations also impact the determination of heat flux and interfacial heat transfer coefficients. In these respects the study represents the first of its kind that has tackled the problem in depth for permanent mold castings. An important ramification of this investigation has been the errors likely to be encountered in mold temperature measurement with thin section aluminum castings, especially with respect to the plans for thermocouple placement. A comparison between the degree of uncertainty experienced in sand molds compared with that found in permanent molds reveals that the associated problems have a lesser impact. These conclusions and the related recommendations have been disseminated to industry and the technical community through project reports and publications.« less

Interfacial Interactions in Monolayer and Few-Layer SnS/CH3 NH3 PbI3 Perovskite van der Waals Heterostructures and Their Effects on Electronic and Optical Properties.

PubMed

Li, Jian-Cai; Wei, Zeng-Xi; Huang, Wei-Qing; Ma, Li-Li; Hu, Wangyu; Peng, Ping; Huang, Gui-Fang

2018-02-05

A high light-absorption coefficient and long-range hot-carrier transport of hybrid organic-inorganic perovskites give huge potential to their composites in solar energy conversion and environmental protection. Understanding interfacial interactions and their effects are paramount for designing perovskite-based heterostructures with desirable properties. Herein, we systematically investigated the interfacial interactions in monolayer and few-layer SnS/CH 3 NH 3 PbI 3 heterostructures and their effects on the electronic and optical properties of these structures by density functional theory. It was found that the interfacial interactions in SnS/CH 3 NH 3 PbI 3 heterostructures were van der Waals (vdW) interactions, and they were found to be insensitive to the layer number of 2D SnS sheets. Interestingly, although their band gap decreased upon increasing the layer number of SnS, the near-gap electronic states and optical absorption spectra of these heterostructures were found to be strikingly similar. This feature was determined to be critical for the design of 2D layered SnS-based heterostructures. Strong absorption in the ultraviolet and visible-light regions, type II staggered band alignment at the interface, and few-layer SnS as an active co-catalyst make 2D SnS/CH 3 NH 3 PbI 3 heterostructures promising candidates for photocatalysis, photodetectors, and solar energy harvesting and conversion. These results provide first insight into the nature of interfacial interactions and are useful for designing hybrid organic-inorganic perovskite-based devices with novel properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sensitivity improvement of a sandwich-type ELISA immunosensor for the detection of different prostate-specific antigen isoforms in human serum using electrochemical impedance spectroscopy and an ordered and hierarchically organized interfacial supramolecular architecture.

PubMed

Gutiérrez-Zúñiga, Gabriela Guadalupe; Hernández-López, José Luis

2016-01-01

A gold millielectrode (GME) functionalized with a mixed (16-MHA + EG3SH) self-assembled monolayer (SAM) was used to fabricate an indirect enzyme-linked immunosorbent assay (ELISA) immunosensor for the sensitive detection of prostate-specific antigen (PSA), a prostate cancer (PCa) biomarker, in human serum samples. To address and minimize the issue of non-specific protein adsorption, an organic matrix (amine-PEG3-biotin/avidin) was assembled on the previously functionalized electrode surface to build up an ordered and hierarchically organized interfacial supramolecular architecture: Au/16-MHA/EG3SH/amine-PEG3-biotin/avidin. The electrode was then exposed to serum samples at different concentrations of a sandwich-type immunocomplex molecule ((Btn)Ab-AgPSA-(HRP)Ab), and its interfacial properties were characterized using electrochemical impedance spectroscopy (EIS). Calibration curves for polarization resistance (RP) and capacitance (1/C) vs. total and free PSA concentrations were obtained and their analytical quality parameters were determined. This approach was compared with results obtained from a commercially available ELISA immunosensor. The results obtained in this work showed that the proposed immunosensor can be successfully applied to analyze serum samples of patients representative of the Mexican population. Copyright © 2015 Elsevier B.V. All rights reserved.

The effect of normal load on polytetrafluoroethylene tribology.

PubMed

Barry, Peter R; Chiu, Patrick Y; Perry, Scott S; Sawyer, W Gregory; Phillpot, Simon R; Sinnott, Susan B

2009-04-08

The tribological behavior of oriented poly(tetrafluoroethylene) (PTFE) sliding surfaces is examined as a function of sliding direction and applied normal load in classical molecular dynamics (MD) simulations. The forces are calculated with the second-generation reactive empirical bond-order potential for short-range interactions, and with a Lennard-Jones potential for long-range interactions. The range of applied normal loads considered is 5-30 nN. The displacement of interfacial atoms from their initial positions during sliding is found to vary by a factor of seven, depending on the relative orientation of the sliding chains. However, within each sliding configuration the magnitude of the interfacial atomic displacements exhibits little dependence on load over the range considered. The predicted friction coefficients are also found to vary with chain orientation and are in excellent quantitative agreement with experimental measurements.

The effect of normal load on polytetrafluoroethylene tribology

NASA Astrophysics Data System (ADS)

Barry, Peter R.; Chiu, Patrick Y.; Perry, Scott S.; Sawyer, W. Gregory; Phillpot, Simon R.; Sinnott, Susan B.

2009-04-01

The tribological behavior of oriented poly(tetrafluoroethylene) (PTFE) sliding surfaces is examined as a function of sliding direction and applied normal load in classical molecular dynamics (MD) simulations. The forces are calculated with the second-generation reactive empirical bond-order potential for short-range interactions, and with a Lennard-Jones potential for long-range interactions. The range of applied normal loads considered is 5-30 nN. The displacement of interfacial atoms from their initial positions during sliding is found to vary by a factor of seven, depending on the relative orientation of the sliding chains. However, within each sliding configuration the magnitude of the interfacial atomic displacements exhibits little dependence on load over the range considered. The predicted friction coefficients are also found to vary with chain orientation and are in excellent quantitative agreement with experimental measurements.

A Real-Time Method for Estimating Viscous Forebody Drag Coefficients

NASA Technical Reports Server (NTRS)

Whitmore, Stephen A.; Hurtado, Marco; Rivera, Jose; Naughton, Jonathan W.

2000-01-01

This paper develops a real-time method based on the law of the wake for estimating forebody skin-friction coefficients. The incompressible law-of-the-wake equations are numerically integrated across the boundary layer depth to develop an engineering model that relates longitudinally averaged skin-friction coefficients to local boundary layer thickness. Solutions applicable to smooth surfaces with pressure gradients and rough surfaces with negligible pressure gradients are presented. Model accuracy is evaluated by comparing model predictions with previously measured flight data. This integral law procedure is beneficial in that skin-friction coefficients can be indirectly evaluated in real-time using a single boundary layer height measurement. In this concept a reference pitot probe is inserted into the flow, well above the anticipated maximum thickness of the local boundary layer. Another probe is servomechanism-driven and floats within the boundary layer. A controller regulates the position of the floating probe. The measured servomechanism position of this second probe provides an indirect measurement of both local and longitudinally averaged skin friction. Simulation results showing the performance of the control law for a noisy boundary layer are then presented.

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.

Effect of interfacial slip on the thin film drainage time for two equal-sized, surfactant-free drops undergoing a head-on collision: A scaling analysis

NASA Astrophysics Data System (ADS)

Ramachandran, A.; Leal, L. G.

2016-10-01

Using a scaling analysis, we assess the impact of interfacial slip on the time required for the thin liquid film between two drops undergoing a head-on collision to drain to the critical thickness for rupture by van der Waals forces. Interfacial slip is included in our continuum development using a Navier slip boundary condition, with the slip coefficient modeled using previous theories [Helfand and Tagami, J. Chem. Phys. 57, 1812 (1972), 10.1063/1.1678491; Goveas and Fredrickson, Eur. Phys. J. B 2, 79 (1998), 10.1007/s100510050228]. Slip decreases hydrodynamic resistance and speeds up film drainage. It renders the dependence of the drainage time on capillary number stronger in the spherical-film regime, but, interestingly, this dependence is altered only weakly in the dimpled-film regime. A subtle effect of slip is that it increases the range of capillary numbers in which the film remains predominantly spherical in shape during drainage (as opposed to being dimpled), leading to significantly faster drainage for these capillary numbers. Slip also leads to an increase in the critical capillary number beyond which coalescence is not possible in a head-collision.

Voltage control of magnetic anisotropy in epitaxial Ru/Co2FeAl/MgO heterostructures

NASA Astrophysics Data System (ADS)

Wen, Zhenchao; Sukegawa, Hiroaki; Seki, Takeshi; Kubota, Takahide; Takanashi, Koki; Mitani, Seiji

2017-03-01

Voltage control of magnetic anisotropy (VCMA) in magnetic heterostructures is a key technology for achieving energy-efficiency electronic devices with ultralow power consumption. Here, we report the first demonstration of the VCMA effect in novel epitaxial Ru/Co2FeAl(CFA)/MgO heterostructures with interfacial perpendicular magnetic anisotropy (PMA). Perpendicularly magnetized tunnel junctions with the structure of Ru/CFA/MgO were fabricated and exhibited an effective voltage control on switching fields for the CFA free layer. Large VCMA coefficients of 108 and 139 fJ/Vm for the CFA film were achieved at room temperature and 4 K, respectively. The interfacial stability in the heterostructure was confirmed by repeating measurements. Temperature dependences of both the interfacial PMA and the VCMA effect were also investigated. It is found that the temperature dependences follow power laws of the saturation magnetization with an exponent of ~2, where the latter is definitely weaker than that of conventional Ta/CoFeB/MgO. The significant VCMA effect observed in this work indicates that the Ru/CFA/MgO heterostructure could be one of the promising candidates for spintronic devices with voltage control.

Insights into electrode/electrolyte interfacial processes and the effect of nanostructured cobalt oxides loading on graphene-based hybrids by scanning electrochemical microscopy

NASA Astrophysics Data System (ADS)

Gupta, Sanju; Carrizosa, Sara B.

2016-12-01

Nanostructured cobalt oxide polymorphs (CoO and Co3O4) deposited via electrodeposition allowed optimal loading on supercapacitive graphene nanosheets producing a set of graphene-based hybrids namely, CoO/GO, CoO/ErGO, Co3O4/GO, Co3O4/rGO, and Co3O4/ErGO, as pseudocapacitive electrochemical electrodes. We gained fundamental insights into the complex physicochemical interfacial processes at electrode surfaces and electrode/electrolyte (or solid/liquid) interfaces by scanning electrochemical microscopy operating in the feedback probe approach and imaging modes while monitoring and mapping the redox probe (re)activity behavior. We determined the various experimental descriptors including diffusion coefficient, electron transfer rate, and electroactive site distribution on electrodes. We emphasize the interplay of (1) heterogeneous basal and edge plane active sites, (2) graphene surface functional moieties (conducting/semiconducting), and (3) crystalline spinel cobalt oxides (semiconducting/insulating) coated graphene, reinforcing the available electron density of states in the vicinity of the Fermi level contributing to higher electroactivity, faster interfacial diffusion, and shorter distances for electron transfer, facilitated through molecular and chemical bridges obtained by electrodeposition as compared with the physical deposition.

Water permeation through anion exchange membranes

NASA Astrophysics Data System (ADS)

Luo, Xiaoyan; Wright, Andrew; Weissbach, Thomas; Holdcroft, Steven

2018-01-01

An understanding of water permeation through solid polymer electrolyte (SPE) membranes is crucial to offset the unbalanced water activity within SPE fuel cells. We examine water permeation through an emerging class of anion exchange membranes, hexamethyl-p-terphenyl poly (dimethylbenzimidazolium) (HMT-PMBI), and compare it against series of membrane thickness for a commercial anion exchange membrane (AEM), Fumapem® FAA-3, and a series of proton exchange membranes, Nafion®. The HMT-PMBI membrane is found to possess higher water permeabilities than Fumapem® FAA-3 and comparable permeability than Nafion (H+). By measuring water permeation through membranes of different thicknesses, we are able to decouple, for the first time, internal and interfacial water permeation resistances through anion exchange membranes. Permeation resistances on liquid/membrane interface is found to be negligible compared to that for vapor/membrane for both series of AEMs. Correspondingly, the resistance of liquid water permeation is found to be one order of magnitude smaller compared to that of vapor water permeation. HMT-PMBI possesses larger effective internal water permeation coefficient than both Fumapem® FAA-3 and Nafion® membranes (60 and 18% larger, respectively). In contrast, the effective interfacial permeation coefficient of HMT-PMBI is found to be similar to Fumapem® (±5%) but smaller than Nafion®(H+) (by 14%).

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.

Food assistance programmes are indirectly associated with anaemia status in children <5 years old in Mexico.

PubMed

Shamah-Levy, Teresa; Méndez-Gómez-Humarán, Ignacio; Gaona-Pineda, Elsa B; Cuevas-Nasu, Lucia; Villalpando, Salvador

2016-09-01

Anaemia in children is a public health concern in Mexico; Federal food assistance programmes are being implemented to prevent it. We undertook this research to investigate the indirect association between food assistance programmes (FAP) and anaemia through dietary and socio-economic conditions of beneficiary children. A structural equation model (SEM) was constructed to assess associations among FAP, dietary and socio-economic conditions, as well as anaemia. A cross-sectional comparative study was conducted based on a sample of 1214 households with children <5 years old, beneficiaries of two FAP: Prospera and rescue from malnutrition with amaranth (RMA) and a comparison group in San Luis Potosí, Mexico. The SEM and a decomposition effect analysis revealed the existence of a significant indirect association of FAP on the prevalence of anaemia via dietary and socio-economic conditions in children under 5 years old. The Prospera assistance programme showed a significant indirect positive association with the prevalence of anaemia (standard coefficient=0·027, P<0·031), and the RMA programme showed a significant indirect negative association with the prevalence of anaemia (standard coefficient=-0·029, P=0·047). There was a direct association between FAP and dietary and socio-economic conditions. FAP could indirectly modify the prevalence of anaemia in young children with a direct improvement on dietary and socio-economic conditions. The unexpected finding of the association between RMA, dietary and socio-economic conditions and the prevalence of anaemia reflects differences in the focus of the programmes.

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

Agreement between pre-post measures of change and transition ratings as well as then-tests.

PubMed

Meyer, Thorsten; Richter, Susanne; Raspe, Heiner

2013-03-27

Different approaches have been developed for measuring change. Direct measurement of change (transition ratings) requires asking a patient directly about his judgment about the change he has experienced (reported change). With indirect measures of change, the patients' status is assessed at different time points and differences between them are calculated (measured change). When using the quasi-indirect approach ('then-test'), patients are asked after an intervention to rate their statuses both before the intervention as well as at the time of the enquiry. Associations previous studies have found between the different approaches might be biased because transition ratings are generally assessed using a single, general item, while indirect measures of change are generally based on multi-item scales. We aimed to quantify the agreement between indirect and direct as well as indirect and quasi-indirect measures of change while using multi-item scales exclusively. We explored possible reasons for non-agreement (present-state bias, recall bias). We re-analysed a data set originally collected to investigate the prognostic validity of different approaches of change measurements. Patients from a 3-week inpatient rehabilitation programme for either cardiac or musculoskeletal disorders filled in health-status questionnaires (which included scales for sleep function, physical function, and somatisation) both at admission and at discharge. The patients were then randomised to receive either an additional transition-rating or then-test questionnaire at discharge. Out of 426 patients, 395 (92.7%) completed all questionnaires. Correlation coefficients between indirect and quasi-indirect measures of change ranged from r = .60 to r = .71, compared to r = .37 to r = .48 between indirect and direct measures of change. Correlation coefficients between pre-test and retrospective pre-test (then-test) results ranged from r = .69 to r = .82, indicating a low level of recall bias. Pre-test variation accounted for a substantial amount of variance in transition ratings in addition to the post-test scores, indicating a low level of present-state bias. Indirect and quasi-indirect measurements of change yielded comparable results indicating that recall bias does not necessarily affect quasi-indirect measurement of change. Quasi-indirect measurement might serve as a substitute for pre-post measurement under conditions still to be specified. Transition ratings reflect different aspects of change than indirect and quasi-indirect methods do, but are not necessarily biased by patients' present states.

Electric control of magnetization reorientation in FeRh /BaTiO3 mediated by a magnetic phase transition

NASA Astrophysics Data System (ADS)

Odkhuu, Dorj

2017-10-01

Employing first-principles calculations we predict magnetization reorientation in FeRh films epitaxially grown on BaTiO3 by reversing the electric polarization or applying the strain effect, which is associated with the recently discovered voltage-induced interfacial magnetic-phase transition by R. O. Cherifi et al. [Nat. Mater. 13, 345 (2014), 10.1038/nmat3870]. We propose that this transition from antiferromagnetic to ferromagnetic phase is the results of the mutual mechanisms of the polarization-reversal-induced volume/strain expansion in the interfacial FeRh layers and the competition between direct and indirect exchange interactions. These mechanisms are mainly driven by the ferroelectrically driven hybridization between Fe and Ti 3 d orbital states at the interface. Such a strong hybridization can further involve Rh 4 d states with large spin-orbit coupling, which, rather than the Fe 3 d orbitals, is responsible for magnetization reorientation at the magnetic-phase transition. These findings point toward the feasibility of electric field control of magnetization switching associated with the magnetic-phase transition in an antiferromagnet structure.

Exploring the limitations of the Hantzsch method used for quantification of hydroxyl radicals in systems of relevance for interfacial radiation chemistry

NASA Astrophysics Data System (ADS)

Yang, Miao; Soroka, Inna; Jonsson, Mats

2017-01-01

In the presence of Tris or methanol, hydroxyl radicals in systems of relevance for interfacial radiation chemistry can be quantified indirectly via the Hantzsch method by determining the amount of the scavenging product formaldehyde formed. In this work, the influence of the presence of H2O2 on the Hantzsch method using acetoacetanilide (AAA) as derivatization reagent is studied. The experiments show that the measured CH2O concentration deviates from the actual concentration in the presence of H2O2 and the deviation increases with increasing [H2O2]0/[CH2O]0. The deviation is negative, i.e., the measured formaldehyde concentration is lower than the actual concentration. This leads to an underestimation of the hydroxyl radical production in systems containing significant amount of H2O2. The main reason for the deviation is found to be three coupled equilibria involving H2O2, CH2O and the derivative produced in the Hantzsch method.

Mechanisms of poliovirus inactivation by the direct and indirect effects of ionizing radiation

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

Ward, R.L.

1980-08-01

This study was designed to measure the effects of ionizing radiation on poliovirus particles when given under conditions where either direct (in broth) or indirect (in water) effects were predominant. Under direct conditions, inactivation of poliovirus was found to be due primarily to RNA damage, although capsid damage could account for about one-third of the viral inactivation. RNA damage did not appear to be due to strand breakage and therefore was probably caused primarily by base damage or crosslink formation. Capsid damage under direct irradiation conditions did not result in significant alterations of either the sedimentation coefficients or the isoelectricmore » points of the poliovirus particles or detectable modification of the sizes of the viral proteins. It did, however, cause loss of availability to bind to host cells. Under indirect conditions no more than 25% of viral inactivation appeared to be due to RNA damage. However, the sedimentation coefficients and isoelectric points of the viral particles were greatly altered, and their abilities to bind to cells were lost at about three-fourths the rate of loss of infectivity. Capsid damage in this case did result in changes in the sizes of capsid proteins. Therefore, the majority of the radiation inactivation under indirect conditions appeared to be due to protein damage.« less

Evaluation of Interfacial Forces and Bubble-Induced Turbulence Using Direct Numerical Simulation

NASA Astrophysics Data System (ADS)

Feng, Jinyong

High fidelity prediction of multiphase flows is important in a wide range of engineering applications. While some multiphase flow scenarios can be successfully modeled, many questions remain unanswered regarding the interaction between the bubbles and the turbulence, and present significant challenges in the development of closure laws for the multiphase computational fluid dynamics (M-CFD) models. To address these challenges, we propose to evaluate the interfacial forces and bubble-induced turbulence in both laminar and turbulent flow field with direct numerical simulation (DNS) approach. Advanced finite-element based flow solver (PHASTA) with level-set interface tracking method is utilized for these studies. The proportional-integral-derivative (PID) controller is adopted to ensure the statistically steady state bubble position and perform the detailed study of the turbulent field around the bubble. Selected numerical capabilities and post-processing codes are developed to achieve the research goals. The interface tracking approach is verified and validated by comparing the interfacial forces with the experiment-based data and correlations. The sign change of transverse lift force is observed as the bubble becomes more deformable. A new correlation is proposed to predict the behavior of the drag coefficient over the wide range of conditions. The wall effect on the interfacial forces are also investigated. In homogeneous turbulent flow, the effect of bubble deformability, turbulent intensity and relative velocity on the bubble-induced turbulence are analyzed. The presented method and novel results will complement the experimental database, provide insight to the bubbleinduced turbulence mechanism and help the development of M-CFD closure models.

Estimation of Heat Transfer Coefficient in Squeeze Casting of Magnesium Alloy AM60 by Experimental Polynomial Extrapolation Method

NASA Astrophysics Data System (ADS)

Sun, Zhizhong; Niu, Xiaoping; Hu, Henry

In this work, a different wall-thickness 5-step (with thicknesses as 3, 5, 8, 12, 20 mm) casting mold was designed, and squeeze casting of magnesium alloy AM60 was performed in a hydraulic press. The casting-die interfacial heat transfer coefficients (IHTC) in 5-step casting were determined based on experimental thermal histories data throughout the die and inside the casting which were recorded by fine type-K thermocouples. With measured temperatures, heat flux and IHTC were evaluated using the polynomial curve fitting method. The results show that the wall thickness affects IHTC peak values significantly. The IHTC value for the thick step is higher than that for the thin steps.

Non-steady state partitioning of dry cleaning surfactants between tetrachloroethylene (PCE) and water in porous media.

PubMed

Hoggan, James L; Bae, Keonbeom; Kibbey, Tohren C G

2007-08-15

Trapped organic solvents, in both the vadose zone and below the water table, are frequent sources of environmental contamination. A common source of organic solvent contamination is spills, leaks, and improper solvent disposal associated with dry cleaning processes. Dry cleaning solvents, such as tetrachloroethylene (PCE), are typically enhanced with the addition of surfactants to improve cleaning performance. The objective of this work was to examine the partitioning behavior of surfactants from PCE in contact with water. The relative rates of surfactants partitioning and PCE dissolution are important for modeling the behavior of waste PCE in the subsurface, in that they influence the interfacial tension of the PCE, and how (or if) interfacial tension changes over time in the subsurface. The work described here uses a flow-through system to examine simultaneous partitioning and PCE dissolution in a porous medium. Results indicate that both nonylphenol ethoxylate nonionic surfactants and a sulfosuccinate anionic surfactant partition out of residual PCE much more rapidly than the PCE dissolves, suggesting that in many cases interfacial tension changes caused by partitioning may influence infiltration and distribution of PCE in the subsurface. Non-steady-state partitioning is found to be well-described by a linear driving force model incorporating measured surfactant partition coefficients.

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

Electroosmotic flow of Phan-Thien-Tanner fluids at high zeta potentials: An exact analytical solution

NASA Astrophysics Data System (ADS)

Sarma, Rajkumar; Deka, Nabajit; Sarma, Kuldeep; Mondal, Pranab Kumar

2018-06-01

We present a mathematical model to study the electroosmotic flow of a viscoelastic fluid in a parallel plate microchannel with a high zeta potential, taking hydrodynamic slippage at the walls into account in the underlying analysis. We use the simplified Phan-Thien-Tanner (s-PTT) constitutive relationships to describe the rheological behavior of the viscoelastic fluid, while Navier's slip law is employed to model the interfacial hydrodynamic slip. Here, we derive analytical solutions for the potential distribution, flow velocity, and volumetric flow rate based on the complete Poisson-Boltzmann equation (without considering the frequently used Debye-Hückel linear approximation). For the underlying electrokinetic transport, this investigation primarily reveals the influence of fluid rheology, wall zeta potential as modulated by the interfacial electrochemistry and interfacial slip on the velocity distribution, volumetric flow rate, and fluid stress, as well as the apparent viscosity. We show that combined with the viscoelasticity of the fluid, a higher wall zeta potential and slip coefficient lead to a phenomenal enhancement in the volumetric flow rate. We believe that this analysis, besides providing a deep theoretical insight to interpret the transport process, will also serve as a fundamental design tool for microfluidic devices/systems under electrokinetic influence.

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.

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.

Fracture mechanics analyses of ceramic/veneer interface under mixed-mode loading.

PubMed

Wang, Gaoqi; Zhang, Song; Bian, Cuirong; Kong, Hui

2014-11-01

Few studies have focused on the interface fracture performance of zirconia/veneer bilayered structure, which plays an important role in dental all-ceramic restorations. The purpose of this study was to evaluate the fracture mechanics performance of zirconia/veneer interface in a wide range of mode-mixities (at phase angles ranging from 0° to 90°), and to examine the effect of mechanical properties of the materials and the interface on the fracture initiation and crack path of an interfacial crack. A modified sandwich test configuration with an oblique interfacial crack was proposed and calibrated to choose the appropriate geometry dimensions by means of finite element analysis. The specimens with different interface inclination angles were tested to failure under three-point bending configuration. Interface fracture parameters were obtained with finite element analyses. Based on the interfacial fracture mechanics, three fracture criteria for crack kinking were used to predict crack initiation and propagation. In addition, the effects of residual stresses due to coefficient of thermal expansion mismatch between zirconia and veneer on the crack behavior were evaluated. The crack initiation and propagation were well predicted by the three fracture criteria. For specimens at phase angle of 0, the cracks propagated in the interface; whereas for all the other specimens the cracks kinked into the veneer. Compressive residual stresses in the veneer can improve the toughness of the interface structure. The results suggest that, in zirconia/veneer bilayered structure the veneer is weaker than the interface, which can be used to explain the clinical phenomenon that veneer chipping rate is larger than interface delamination rate. Consequently, a veneer material with larger fracture toughness is needed to decrease the failure rate of all-ceramic restorations. And the coefficient of thermal expansion mismatch of the substrates can be larger to produce larger compressive stresses in the veneer. Copyright © 2014 Elsevier Ltd. All rights reserved.

Macroscopic aspects of interfacial reactions

NASA Technical Reports Server (NTRS)

Heckel, R. W.

1976-01-01

The extent of interdiffusion and formation of new phases is determined by the constitution diagram of the alloy system, the interdiffusion coefficients of the phases present, and the thermal conditions (temperature and time) associated with the bonding process and/or subsequent use of the bonded structure. In many instance, the kinetics of interdiffusion and phase formation can be predicted from known parameters using numerical methods and computer techniques. Predictions are compared with experimentally determined parameters for a variety of metallurgical alloy systems.

Molecular simulation study of dynamical properties of room temperature ionic liquids with carbon pieces

DOE PAGES

Feng, Guang; Zhao, Wei; Cummings, Peter T.; ...

2016-03-29

Room temperature ionic liquids (RTILs) with dispersed carbon pieces exhibit distinctive physiochemical properties. In order to explore the molecular mechanism, RTILs/carbon pieces mixture we investigated it by molecular dynamics (MD) simulation in this work. Rigid and flexible carbon pieces in the form of graphene with different thicknesses and carbon nanotubes in different sizes were dispersed in a representative RTIL 1-butyl-3-methyl-imidazolium dicyanamide ([Bmim][DCA]). Our study demonstrated that the diffusion coefficients of RTILs in the presence of flexible carbons are similar to those of bulk RTILs at varying temperatures, which is in contrast to the decreased diffusion of RTILs in the presencemore » of rigid carbons. In addition, interfacial ion number density at rigid carbon surfaces was higher than that at flexible ones, which is correlated with the accessible external surface area of carbon pieces. The life time of cation-anion pair in the presence of carbon pieces also exhibited a dependence on carbon flexibility. RTILs with dispersed rigid carbon pieces showed longer ion pair life time than those with flexible ones, in consistence with the observation in diffusion coefficients. Furthermore, this work highlights the necessity of including the carbon flexibility when performing MD simulation of RTILs in the presence of dispersed carbon pieces in order to obtain the reliable dynamical and interfacial structural properties.« less

Research on the Mechanism of In-Plane Vibration on Friction Reduction

PubMed Central

Wang, Peng; Ni, Hongjian; Wang, Ruihe; Liu, Weili; Lu, Shuangfang

2017-01-01

A modified model for predicting the friction force between drill-string and borehole wall under in-plane vibrations was developed. It was found that the frictional coefficient in sliding direction decreased significantly after applying in-plane vibration on the bottom specimen. The friction reduction is due to the direction change of friction force, elastic deformation of surface asperities and the change of frictional coefficient. Normal load, surface topography, vibration direction, velocity ratio and interfacial shear factor are the main influence factors of friction force in sliding direction. Lower driving force can be realized for a pair of determinate rubbing surfaces under constant normal load by setting the driving direction along the minimum arithmetic average attack angle direction, and applying intense longitudinal vibration on the rubbing pair. The modified model can significantly improve the accuracy in predicting frictional coefficient under vibrating conditions, especially under the condition of lower velocity ratio. The results provide a theoretical gist for friction reduction technology by vibrating drill-string, and provide a reference for determination of frictional coefficient during petroleum drilling process, which has great significance for realizing digitized and intelligent drilling. PMID:28862679

Effectively parameterizing dissipative particle dynamics using COSMO-SAC: A partition coefficient study

NASA Astrophysics Data System (ADS)

Saathoff, Jonathan

2018-04-01

Dissipative Particle Dynamics (DPD) provides a tool for studying phase behavior and interfacial phenomena for complex mixtures and macromolecules. Methods to quickly and automatically parameterize DPD greatly increase its effectiveness. One such method is to map predicted activity coefficients derived from COSMO-SAC onto DPD parameter sets. However, there are serious limitations to the accuracy of this mapping, including the inability of single DPD beads to reproduce asymmetric infinite dilution activity coefficients, the loss of precision when reusing parameters for different molecular fragments, and the error due to bonding beads together. This report describes these effects in quantitative detail and provides methods to mitigate much of their deleterious effects. This includes a novel approach to remove errors caused by bonding DPD beads together. Using these methods, logarithm hexane/water partition coefficients were calculated for 61 molecules. The root mean-squared error for these calculations was determined to be 0.14—a very low value—with respect to the final mapping procedure. Cognizance of the above limitations can greatly enhance the predictive power of DPD.

Method for evaluating multiple mediators: mediating effects of smoking and COPD on the association between the CHRNA5-A3 variant and lung cancer risk.

PubMed

Wang, Jian; Spitz, Margaret R; Amos, Christopher I; Wu, Xifeng; Wetter, David W; Cinciripini, Paul M; Shete, Sanjay

2012-01-01

A mediation model explores the direct and indirect effects between an independent variable and a dependent variable by including other variables (or mediators). Mediation analysis has recently been used to dissect the direct and indirect effects of genetic variants on complex diseases using case-control studies. However, bias could arise in the estimations of the genetic variant-mediator association because the presence or absence of the mediator in the study samples is not sampled following the principles of case-control study design. In this case, the mediation analysis using data from case-control studies might lead to biased estimates of coefficients and indirect effects. In this article, we investigated a multiple-mediation model involving a three-path mediating effect through two mediators using case-control study data. We propose an approach to correct bias in coefficients and provide accurate estimates of the specific indirect effects. Our approach can also be used when the original case-control study is frequency matched on one of the mediators. We employed bootstrapping to assess the significance of indirect effects. We conducted simulation studies to investigate the performance of the proposed approach, and showed that it provides more accurate estimates of the indirect effects as well as the percent mediated than standard regressions. We then applied this approach to study the mediating effects of both smoking and chronic obstructive pulmonary disease (COPD) on the association between the CHRNA5-A3 gene locus and lung cancer risk using data from a lung cancer case-control study. The results showed that the genetic variant influences lung cancer risk indirectly through all three different pathways. The percent of genetic association mediated was 18.3% through smoking alone, 30.2% through COPD alone, and 20.6% through the path including both smoking and COPD, and the total genetic variant-lung cancer association explained by the two mediators was 69.1%.

Indirect Self-Destructiveness in Women who Experience Domestic Violence.

PubMed

Tsirigotis, Konstantinos; Łuczak, Joanna

2018-01-02

Lives of people experiencing domestic or/and intimate partner violence abound in many unpleasant events and physical and psychological suffering, which affects their psychosocial functioning. The aim of this study was to explore indirect self-destructiveness as a generalised behavioural tendency and its manifestations in women experiencing domestic violence. The "Chronic Self-Destructiveness Scale" (CS-DS) was used to study two groups of women: 52 women aged 30-65 years (mean age: 40.15) using assistance of the Crisis Intervention Centre due to experienced domestic violence (V group) and 150 well-matched women not experiencing domestic violence (NV group). Women suffering domestic violence (V) obtained significantly higher scores than women not experiencing domestic violence (NV) for both the general index and a majority of CS-DS subscales; it was only for the A1 (Transgression and Risk) subscale that they achieved somewhat lower scores. Correlation coefficients between particular CS-DS subscales in the V group were higher than in the NV group; there were also certain differences in coefficients between the groups. Subscale factor analysis results were different too: only one factor was isolated in the V group while two were distinguished in the NV group. It can be inferred from the results that the intensity of indirect self-destructiveness as a generalised behavioural tendency as well as of most its categories was higher in women experiencing domestic violence. Tendencies and categories of indirectly self-destructive behaviours in women suffering domestic violence were more closely connected with one another, and the internal coherence of indirect self-destructiveness in those women might also be higher.

Effect of disorder on the optical properties of short period superlattices

NASA Technical Reports Server (NTRS)

Strozier, J. A.; Zhang, Y. A.; Horton, C.; Ignatiev, A.; Shih, H. D.

1993-01-01

The optical properties of disordered short period superlattices are studied using a one-dimensional tight-binding model. A difference vector and disorder structure factor are proposed to characterize the disordered superlattice. The density of states, participation number, and optical absorption coefficients for both ordered and disordered superlattices are calculated as a function of energy. The results show that introduction of disorder into an indirect band gap material enhances the optical transition near the indirect band edge.

The relationship between multilevel models and non-parametric multilevel mixture models: Discrete approximation of intraclass correlation, random coefficient distributions, and residual heteroscedasticity.

PubMed

Rights, Jason D; Sterba, Sonya K

2016-11-01

Multilevel data structures are common in the social sciences. Often, such nested data are analysed with multilevel models (MLMs) in which heterogeneity between clusters is modelled by continuously distributed random intercepts and/or slopes. Alternatively, the non-parametric multilevel regression mixture model (NPMM) can accommodate the same nested data structures through discrete latent class variation. The purpose of this article is to delineate analytic relationships between NPMM and MLM parameters that are useful for understanding the indirect interpretation of the NPMM as a non-parametric approximation of the MLM, with relaxed distributional assumptions. We define how seven standard and non-standard MLM specifications can be indirectly approximated by particular NPMM specifications. We provide formulas showing how the NPMM can serve as an approximation of the MLM in terms of intraclass correlation, random coefficient means and (co)variances, heteroscedasticity of residuals at level 1, and heteroscedasticity of residuals at level 2. Further, we discuss how these relationships can be useful in practice. The specific relationships are illustrated with simulated graphical demonstrations, and direct and indirect interpretations of NPMM classes are contrasted. We provide an R function to aid in implementing and visualizing an indirect interpretation of NPMM classes. An empirical example is presented and future directions are discussed. © 2016 The British Psychological Society.

Analysis of optical and electronic properties of MoS2 for optoelectronics and FET applications

NASA Astrophysics Data System (ADS)

Ullah, Muhammad S.; Yousuf, Abdul Hamid Bin; Es-Sakhi, Azzedin D.; Chowdhury, Masud H.

2018-04-01

Molybdenum disulfide (MoS2) is considered as a promising alternative to conventional semiconductor materials that used in the IC industry because of its novel properties. In this paper, we explore the optical and electronic properties of MoS2 for photodetector and transistors applications. This simulation is done using `DFT materials properties simulator'. Our findings show that mono- and multi-layer MoS2 is suitable for conventional and tunnel FET applications due to direct and indirect band-gap respectively. The bulk MoS2 crystal, which are composed of stacked layers have indirect bandgap and mono-layer MoS2 crystal form direct bandgap at the K-point of Brillouin zone. Indirect bandgap of bulk MoS2 crystal implies that phonons need to be involved in band-to-band tunneling (BTBT) process. Degenerately doped semiconductor, which is basically spinning the Fermi level, changing the DOS profile, and thinning the indirect bandgap that allow tunneling from valence band to conduction band. The optical properties of MoS2 is explored in terms of Absorption coefficient, extinction coefficient and refractive index. Our results shows that a MoS2 based photodetector can be fabricate to detect light in the visible range (below 500nm). It is also observed that the MoS2 is most sensitive for the light of wavelength 450nm.

Kinetics of Hydrogen Abstraction and Addition Reactions of 3-Hexene by ȮH Radicals.

PubMed

Yang, Feiyu; Deng, Fuquan; Pan, Youshun; Zhang, Yingjia; Tang, Chenglong; Huang, Zuohua

2017-03-09

Rate coefficients of H atom abstraction and H atom addition reactions of 3-hexene by the hydroxyl radicals were determined using both conventional transition-state theory and canonical variational transition-state theory, with the potential energy surface (PES) evaluated at the CCSD(T)/CBS//BHandHLYP/6-311G(d,p) level and quantum mechanical effect corrected by the compounded methods including one-dimensional Wigner method, multidimensional zero-curvature tunneling method, and small-curvature tunneling method. Results reveal that accounting for approximate 70% of the overall H atom abstractions occur in the allylic site via both direct and indirect channels. The indirect channel containing two van der Waals prereactive complexes exhibits two times larger rate coefficient relative to the direct one. The OH addition reaction also contains two van der Waals complexes, and its submerged barrier results in a negative temperature coefficient behavior at low temperatures. In contrast, The OH addition pathway dominates only at temperatures below 450 K whereas the H atom abstraction reactions dominate overwhelmingly at temperature over 1000 K. All of the rate coefficients calculated with an uncertainty of a factor of 5 were fitted in a quasi-Arrhenius formula. Analyses on the PES, minimum reaction path and activation free Gibbs energy were also performed in this study.

Genotypic character relationship and phenotypic path coefficient analysis in chili pepper genotypes grown under tropical condition.

PubMed

Usman, Magaji G; Rafii, Mohd Y; Martini, Mohammad Y; Oladosu, Yusuff; Kashiani, Pedram

2017-03-01

Studies on genotypic and phenotypic correlations among characters of crop plants are useful in planning, evaluating and setting selection criteria for the desired characters in a breeding program. The present study aimed to estimate the phenotypic correlation coefficients among yield and yield attributed characters and to work out the direct and indirect effects of yield-related characters on yield per plant using path coefficient analysis. Twenty-six genotypes of chili pepper were laid out in a randomized complete block design with three replications. Yield per plant showed positive and highly significant (P ≤ 0.01) correlations with most of the characters studied at both the phenotypic and genotypic levels. By contrast, disease incidence and days to flowering showed a significant negative association with yield. Fruit weight and number of fruits exerted positive direct effect on yield and also had a positive and significant (P ≤ 0.01) correlation with yield per plant. However, fruit length showed a low negative direct effect with a strong and positive indirect effect through fruit weight on yield and had a positive and significant association with yield. Longer fruits, heavy fruits and a high number of fruits are variables that are related to higher yields of chili pepper under tropical conditions and hence could be used as a reliable indicator in indirect selection for yield. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

A composite approach boosts transduction coefficients of piezoceramics for energy harvesting

NASA Astrophysics Data System (ADS)

Yu, Xiaole; Hou, Yudong; Zheng, Mupeng; Zhao, Haiyan; Zhu, Mankang

2018-03-01

Piezoelectric energy harvesting is a hotspot in the field of new energy, the core goal of which is to prepare piezoceramics with a high transduction coefficient (d33×g33). The traditional solid-solution design strategy usually causes the same variation trend of d33 and ɛr, resulting in a low d33×g33 value. In this work, a composite design strategy was proposed that uses PZN-PZT/ZnAl2O4 as an example. By introducing ZnAl2O4, which is nonferroelectric with low ɛr, to the PZN-PZT piezoelectric matrix, ɛr decreased rapidly while d33 remained relatively stable. This behavior was ascribed to the increase of Q33 caused by an interfacial effect facilitating the formation of micro-domain structure.

Molecular-dynamics study of solid-liquid interface migration in fcc metals

NASA Astrophysics Data System (ADS)

Mendelev, M. I.; Rahman, M. J.; Hoyt, J. J.; Asta, M.

2010-10-01

In order to establish a link between various structural and kinetic properties of metals and the crystal-melt interfacial mobility, free-solidification molecular-dynamics simulations have been performed for a total of nine embedded atom method interatomic potentials describing pure Al, Cu and Ni. To fully explore the space of materials properties three new potentials have been developed. The new potentials are based on a previous description of Al, but in each case the liquid structure, the melting point and/or the latent heat are varied considerably. The kinetic coefficient, μ, for all systems has been compared with several theoretical predictions. It is found that at temperatures close to the melting point the magnitude of μ correlates well with the value of the diffusion coefficient in the liquid.

Binding thermodynamics of synthetic dye Allura Red with bovine serum albumin.

PubMed

Lelis, Carini Aparecida; Hudson, Eliara Acipreste; Ferreira, Guilherme Max Dias; Ferreira, Gabriel Max Dias; da Silva, Luis Henrique Mendes; da Silva, Maria do Carmo Hespanhol; Pinto, Maximiliano Soares; Pires, Ana Clarissa Dos Santos

2017-02-15

The interaction between Allura Red and bovine serum albumin (BSA) was studied in vitro at pH 7.4. The fluorescence quenching was classified as static quenching due to the formation of AR-BSA complex, with binding constant (K) ranging from 3.26±0.09 to 8.08±0.0610(4)L.mol(-1), at the warfarin binding site of BSA. This complex formation was driven by increasing entropy. Isothermal titration calorimetric measurements also showed an enthalpic contribution. The Allura Red diffusion coefficient determined by the Taylor-Aris technique corroborated these results because it reduced with increasing BSA concentration. Interfacial tension measurements showed that the AR-BSA complex presented surface activity, since interfacial tension of the water-air interface decreased as the colorant concentration increased. This technique also provided a complexation stoichiometry similar to those obtained by fluorimetric experiments. This work contributes to the knowledge of interactions between BSA and azo colorants under physiological conditions. Copyright © 2016 Elsevier Ltd. All rights reserved.

Electrostatic Interactions Influence Protein Adsorption (but Not Desorption) at the Silica-Aqueous Interface.

PubMed

McUmber, Aaron C; Randolph, Theodore W; Schwartz, Daniel K

2015-07-02

High-throughput single-molecule total internal reflection fluorescence microscopy was used to investigate the effects of pH and ionic strength on bovine serum albumin (BSA) adsorption, desorption, and interfacial diffusion at the aqueous-fused silica interface. At high pH and low ionic strength, negatively charged BSA adsorbed slowly to the negatively charged fused silica surface. At low pH and low ionic strength, where BSA was positively charged, or in solutions at higher ionic strength, adsorption was approximately 1000 times faster. Interestingly, neither surface residence times nor the interfacial diffusion coefficients of BSA were influenced by pH or ionic strength. These findings suggested that adsorption kinetics were dominated by energy barriers associated with electrostatic interactions, but once adsorbed, protein-surface interactions were dominated by short-range nonelectrostatic interactions. These results highlight the ability of single-molecule techniques to isolate elementary processes (e.g., adsorption and desorption) under steady-state conditions, which would be impossible to measure using ensemble-averaging methods.

Quantitative Determination on Ionic-Liquid-Gating Control of Interfacial Magnetism

DOE PAGES

Zhao, Shishun; Zhou, Ziyao; Peng, Bin; ...

2017-03-03

Ionic-liquid gating on a functional thin film with a low voltage has drawn a lot of attention due to rich chemical, electronic, and magnetic phenomena at the interface. A key challenge in quantitative determination of voltage-controlled magnetic anisotropy (VCMA) in Au/[DEME] +[TFSI] -/Co field-effect transistor heterostructures is addressed. The magnetic anisotropy change as response to the gating voltage is precisely detected by in situ electron spin resonance measurements. Furthermore, a reversible change of magnetic anisotropy up to 219 Oe is achieved with a low gating voltage of 1.5 V at room temperature, corresponding to a record high VCMA coefficient ofmore » ≈146 Oe V -1. Two gating effects, the electrostatic doping and electrochemical reaction, are distinguished at various gating voltage regions, as confirmed by X-ray photoelectron spectroscopy and atomic force microscopy experiments. Our work shows a unique ionic-liquid-gating system for strong interfacial magnetoelectric coupling with many practical advantages, paving the way toward ion-liquid-gating spintronic/electronic devices.« less

Ion-size dependent electroosmosis of viscoelastic fluids in microfluidic channels with interfacial slip

NASA Astrophysics Data System (ADS)

Mukherjee, Siddhartha; Goswami, Prakash; Dhar, Jayabrata; Dasgupta, Sunando; Chakraborty, Suman

2017-07-01

We report a study on the ion-size dependent electroosmosis of viscoelastic fluids in microfluidic channels with interfacial slip. Here, we derive an analytical solution for the potential distribution in a parallel plate microchannel, where the effects of finite sized ionic species are taken into account by invoking the free energy formalism. Following this, a purely electroosmotic flow of a simplified Phan-Thien-Tanner (sPTT) fluid is considered. For the sPTT model, linear, quadratic, and exponential kernels are chosen for the stress coefficient function describing its viscoelastic nature across various ranges of Deborah number. The theoretical framework presented in our analysis has been successfully compared with experimental results available in the literature. We believe that the implications of the considered effects on the net volumetric throughput will not only provide a deeper theoretical insight to interpret the electrokinetic data in the presence of ionic species but also serve as a fundamental design tool for novel electrokinetically driven lab-on-a-chip biofluidic devices.

Interfacial Dzyaloshinskii-Moriya Interaction: Effect of 5 d Band Filling and Correlation with Spin Mixing Conductance

NASA Astrophysics Data System (ADS)

Ma, Xin; Yu, Guoqiang; Tang, Chi; Li, Xiang; He, Congli; Shi, Jing; Wang, Kang L.; Li, Xiaoqin

2018-04-01

The Dzyaloshinskii-Moriya interaction (DMI) at the heavy metal (HM) and ferromagnetic metal (FM) interface has been recognized as a key ingredient in spintronic applications. Here we investigate the chemical trend of DMI on the 5 d band filling (5 d3- 5 d10 ) of the HM element in HM/FM (FM =CoFeB ,Co )/MgO multilayer thin films. DMI is quantitatively evaluated by measuring asymmetric spin wave dispersion using Brillouin light scattering. Sign reversal and 20 times modification of the DMI coefficient D have been measured as the 5 d HM element is varied. The chemical trend can be qualitatively understood by considering the 5 d and 3 d bands alignment at the HM/FM interface and the subsequent orbital hybridization around the Fermi level. Furthermore, a correlation is observed between DMI and effective spin mixing conductance at the HM/FM interfaces. Our results provide new insights into the interfacial DMI for designing future spintronic devices.

Microstructures and Properties of 40Cu/Ag(Invar) Composites Fabricated by Powder Metallurgy and Subsequent Thermo-Mechanical Treatment

NASA Astrophysics Data System (ADS)

Zhang, Xin; Huang, Yingqiu; Liu, Xiangyu; Yang, Lei; Shi, Changdong; Wu, Yucheng; Tang, Wenming

2018-03-01

Composites of 40Cu/Ag(Invar) were prepared via pressureless sintering and subsequent thermo-mechanical treatment from raw materials of electroless Ag-plated Invar alloy powder and electrolytic Cu powder. Microstructures and properties of the prepared composites were studied to evaluate the effect of the Ag layer on blocking Cu/Invar interfacial diffusion in the composites. The electroless-plated Ag layer was dense, uniform, continuous, and bonded tightly with the Invar alloy substrate. During sintering of the composites, the Ag layer effectively prevented Cu/Invar interfacial diffusion. During cold-rolling, the Ag layer was deformed uniformly with the Invar alloy particles. The composites exhibited bi-continuous network structure and considerably improved properties. After sintering at 775 °C and subsequent thermo-mechanical treatment, the 40Cu/Ag(Invar) composites showed satisfactory comprehensive properties: relative density of 99.0 pct, hardness of HV 253, thermal conductivity of 55.7 W/(m K), and coefficient of thermal expansion of 11.2 × 10-6/K.

Quantitative Determination on Ionic-Liquid-Gating Control of Interfacial Magnetism

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

Zhao, Shishun; Zhou, Ziyao; Peng, Bin

Ionic-liquid gating on a functional thin film with a low voltage has drawn a lot of attention due to rich chemical, electronic, and magnetic phenomena at the interface. A key challenge in quantitative determination of voltage-controlled magnetic anisotropy (VCMA) in Au/[DEME] +[TFSI] -/Co field-effect transistor heterostructures is addressed. The magnetic anisotropy change as response to the gating voltage is precisely detected by in situ electron spin resonance measurements. Furthermore, a reversible change of magnetic anisotropy up to 219 Oe is achieved with a low gating voltage of 1.5 V at room temperature, corresponding to a record high VCMA coefficient ofmore » ≈146 Oe V -1. Two gating effects, the electrostatic doping and electrochemical reaction, are distinguished at various gating voltage regions, as confirmed by X-ray photoelectron spectroscopy and atomic force microscopy experiments. Our work shows a unique ionic-liquid-gating system for strong interfacial magnetoelectric coupling with many practical advantages, paving the way toward ion-liquid-gating spintronic/electronic devices.« less

Fabrication and application of a non-contact double-tapered optical fiber tweezers.

PubMed

Liu, Z L; Liu, Y X; Tang, Y; Zhang, N; Wu, F P; Zhang, B

2017-09-18

A double-tapered optical fiber tweezers (DOFTs) was fabricated by a chemical etching called interfacial layer etching. In this method, the second taper angle (STA) of DOFTs can be controlled easily by the interfacial layer etching time. Application of the DOFTs to the optical trapping of the yeast cells was presented. Effects of the STA on the axile trapping efficiency and the trapping position were investigated experimentally and theoretically. The experimental results are good agreement with the theoretical ones. The results demonstrated that the non-contact capture can be realized for the large STA (e.g. 90 deg) and there was an optimal axile trapping efficiency as the STA increasing. In order to obtain a more accurate measurement result of the trapping force, a correction factor to Stokes drag coefficient was introduced. This work provided a way of designing and fabricating an optical fiber tweezers (OFTs) with a high trapping efficient or a non-contact capture.

Saponification reaction system: a detailed mass transfer coefficient determination.

PubMed

Pečar, Darja; Goršek, Andreja

2015-01-01

The saponification of an aromatic ester with an aqueous sodium hydroxide was studied within a heterogeneous reaction medium in order to determine the overall kinetics of the selected system. The extended thermo-kinetic model was developed compared to the previously used simple one. The reaction rate within a heterogeneous liquid-liquid system incorporates a chemical kinetics term as well as mass transfer between both phases. Chemical rate constant was obtained from experiments within a homogeneous medium, whilst the mass-transfer coefficient was determined separately. The measured thermal profiles were then the bases for determining the overall reaction-rate. This study presents the development of an extended kinetic model for considering mass transfer regarding the saponification of ethyl benzoate with sodium hydroxide within a heterogeneous reaction medium. The time-dependences are presented for the mass transfer coefficient and the interfacial areas at different heterogeneous stages and temperatures. The results indicated an important role of reliable kinetic model, as significant difference in k(L)a product was obtained with extended and simple approach.

Tribological behaviour of orthodontic archwires under dry and wet sliding conditions in-vitro. I--Frictional behaviour.

PubMed

Berradja, Abdenacer; Willems, Guy; Celis, Jean-Pierre

2006-05-01

To evaluate the frictional behaviour of orthodontic archwires in dry and wet conditions in-vitro. Two types of archwire materials were investigated: stainless steel and NiTi. A fretting wear tribometer fitted with an alumina ball was operated at 23 degrees C in three different environments: ambient air with 50 per cent relative humidity, 0.9 wt. per cent sodium chloride solution, and deionised water. NiTi archwires sliding against alumina exhibited high coefficients of friction (about 0.6) in the three environments. Stainless steel archwires sliding against alumina had relatively low coefficients of friction (0.3) in the solutions, but high coefficients (0.8) in air. The low frictional forces of the stainless steel wires sliding against alumina in the solutions were due to a lubricating effect of the solutions and corrosion-wear debris. The high frictional forces between the NiTi wires and alumina are attributed to an abrasive interfacial transfer film between the wires and alumina.

Influence of fluid viscosity and wetting on multiscale viscoelastic lubrication in soft tribological contacts.

PubMed

Selway, Nichola; Chan, Vincent; Stokes, Jason R

2017-02-22

Friction (and lubrication) between soft contacts is prevalent in many natural and engineered systems and plays a crucial role in determining their functionality. The contribution of viscoelastic hysteresis losses to friction in these systems has been well-established and defined for dry contacts; however, the influence of fluid viscosity and wetting on these components of friction has largely been overlooked. We provide systematic experimental evidence of the influence of lubricant viscosity and wetting on lubrication across multiple regimes within a viscoelastic contact. These effects are investigated for comparatively smooth and rough elastomeric contacts (PTFE-PDMS and PDMS-PDMS) lubricated by a series of Newtonian fluids with systematically controlled viscosity and static wetting properties, using a ball-on-disc tribometer. The distinct tribological behaviour, characterised generally by a decrease in the friction coefficient with increasing fluid viscosity and wettability, is explained in terms of lubricant dewetting and squeeze-out dynamics and their impact on multi-scale viscoelastic dissipation mechanisms at the bulk-, asperity-, sub-asperity- and molecular-scale. It is proposed that lubrication within the (non-molecularly) smooth contact is governed by localised fluid entrapment and molecular-scale (interfacial) viscoelastic effects, while additional rubber hysteresis stimulated by fluid-asperity interactions, combined with rapid fluid drainage at low speeds within the rough contact, alter the general shape of the Stribeck curve. This fluid viscosity effect is in some agreement with theoretical predictions. Conventional methods for analysing and interpreting tribological data, which typically involve scaling sliding velocity with lubricant viscosity, need to be revised for viscoelastic contacts with consideration of these indirect viscosity effects.

Failure Mechanisms of SAC/Fe-Ni Solder Joints During Thermal Cycling

NASA Astrophysics Data System (ADS)

Gao, Li-Yin; Liu, Zhi-Quan; Li, Cai-Fu

2017-08-01

Thermal cycling tests have been conducted on Sn-Ag-Cu/Fe- xNi ( x = 73 wt.% or 45 wt.%) and Sn-Ag-Cu/Cu solder joints according to the Joint Electron Device Engineering Council industrial standard to study their interfacial reliability under thermal stress. The interfacial intermetallic compounds formed for solder joints on Cu, Fe-73Ni, and Fe-45Ni were 4.5 μm, 1.7 μm, and 1.4 μm thick, respectively, after 3000 cycles, demonstrating excellent diffusion barrier effect of Fe-Ni under bump metallization (UBM). Also, two deformation modes, viz. solder extrusion and fatigue crack formation, were observed by scanning electron microscopy and three-dimensional x-ray microscopy. Solder extrusion dominated for solder joints on Cu, while fatigue cracks dominated for solder joints on Fe-45Ni and both modes were detected for those on Fe-73Ni. Solder joints on Fe-Ni presented inferior reliability during thermal cycling compared with those on Cu, with characteristic lifetime of 3441 h, 3190 h, and 1247 h for Cu, Fe-73Ni, and Fe-45Ni UBM, respectively. This degradation of the interfacial reliability for solder joints on Fe-Ni is attributed to the mismatch in coefficient of thermal expansion (CTE) at interconnection level. The CTE mismatch at microstructure level was also analyzed by electron backscatter diffraction for clearer identification of recrystallization-related deformation mechanisms.

Spatially resolved and time-resolved imaging of transport of indirect excitons in high magnetic fields

NASA Astrophysics Data System (ADS)

Dorow, C. J.; Hasling, M. W.; Calman, E. V.; Butov, L. V.; Wilkes, J.; Campman, K. L.; Gossard, A. C.

2017-06-01

We present the direct measurements of magnetoexciton transport. Excitons give the opportunity to realize the high magnetic-field regime for composite bosons with magnetic fields of a few tesla. Long lifetimes of indirect excitons allow the study of kinetics of magnetoexciton transport with time-resolved optical imaging of exciton photoluminescence. We performed spatially, spectrally, and time-resolved optical imaging of transport of indirect excitons in high magnetic fields. We observed that an increasing magnetic field slows down magnetoexciton transport. The time-resolved measurements of the magnetoexciton transport distance allowed for an experimental estimation of the magnetoexciton diffusion coefficient. An enhancement of the exciton photoluminescence energy at the laser excitation spot was found to anticorrelate with the exciton transport distance. A theoretical model of indirect magnetoexciton transport is presented and is in agreement with the experimental data.

Optical absorption by indirect excitons in a transition metal dichalcogenide/hexagonal boron nitride heterostructure

NASA Astrophysics Data System (ADS)

Brunetti, Matthew N.; Berman, Oleg L.; Kezerashvili, Roman Ya

2018-06-01

We study optical transitions in spatially indirect excitons in transition metal dichalcogenide (TMDC) heterostructures separated by an integer number of hexagonal boron nitride (h-BN) monolayers. By solving the Schrödinger equation with the Keldysh potential for a spatially indirect exciton, we obtain eigenfunctions and eigenenergies for the ground and excited states and study their dependence on the interlayer separation, controlled by varying the number of h-BN monolayers. The oscillator strength, optical absorption coefficient, and optical absorption factor, the fraction of incoming photons absorbed in the TMDC/h-BN/TMDC heterostructure, are evaluated and studied as a function of the interlayer separation. Using input parameters from the existing literature which give the largest and the smallest spatially indirect exciton binding energy, we provide upper and lower bounds on all quantities presented.

Prediction of Sliding Friction Coefficient Based on a Novel Hybrid Molecular-Mechanical Model.

PubMed

Zhang, Xiaogang; Zhang, Yali; Wang, Jianmei; Sheng, Chenxing; Li, Zhixiong

2018-08-01

Sliding friction is a complex phenomenon which arises from the mechanical and molecular interactions of asperities when examined in a microscale. To reveal and further understand the effects of micro scaled mechanical and molecular components of friction coefficient on overall frictional behavior, a hybrid molecular-mechanical model is developed to investigate the effects of main factors, including different loads and surface roughness values, on the sliding friction coefficient in a boundary lubrication condition. Numerical modelling was conducted using a deterministic contact model and based on the molecular-mechanical theory of friction. In the contact model, with given external loads and surface topographies, the pressure distribution, real contact area, and elastic/plastic deformation of each single asperity contact were calculated. Then asperity friction coefficient was predicted by the sum of mechanical and molecular components of friction coefficient. The mechanical component was mainly determined by the contact width and elastic/plastic deformation, and the molecular component was estimated as a function of the contact area and interfacial shear stress. Numerical results were compared with experimental results and a good agreement was obtained. The model was then used to predict friction coefficients in different operating and surface conditions. Numerical results explain why applied load has a minimum effect on the friction coefficients. They also provide insight into the effect of surface roughness on the mechanical and molecular components of friction coefficients. It is revealed that the mechanical component dominates the friction coefficient when the surface roughness is large (Rq > 0.2 μm), while the friction coefficient is mainly determined by the molecular component when the surface is relatively smooth (Rq < 0.2 μm). Furthermore, optimal roughness values for minimizing the friction coefficient are recommended.

Spin scattering asymmetric coefficients and enhanced specific interfacial resistance of fully epitaxial current-perpendicular-to-plane giant magnetoresistance spin valves using alternate monatomic layered [Fe/Co]n and a Ag spacer layer

NASA Astrophysics Data System (ADS)

Jung, J. W.; Shiozaki, R.; Doi, M.; Sahashi, M.

2011-04-01

Using current-perpendicular-to-plane (CPP) giant magnetoresistance (GMR) measurement, we have evaluated the bulk and interface spin scattering asymmetric coefficients, βF and γF/N and the specific interfacial resistance, AR*F/N, for exchange-biased spin-valves consisting of artificially ordered B2 structure Fe50Co50 and Ag spacer layer. Artificially epitaxial ordered Fe50Co50 superlattices have been successfully fabricated on MgO (001) substrate by alternate monatomic layer (AML) deposition at a substrate temperature of 75 °C. The structural properties of the full epitaxial trilayer, AML[Fe/Co]n/Ag/AML[Fe/Co]n, on the Ag electrode have been confirmed by in situ reflection high-energy electron diffraction and transmission electron diffraction microscopy. A considerably large resistance-area product change and MR ratio (ΔRA > 3 mΩμm2 and MR ratio ˜5%) were confirmed even at thin AML[Fe/Co]n layer at room temperature (RT) in our spin-valve elements. The estimated values of βF and γF/N were 0.80 and 0.84 ± 0.02, respectively, from the Valet-Fert theory analysis of ΔRA as a function of thickness of the ferromagnetic layer (3, 4, and 5 nm) on the basis of the two-current model.

Thickness-dependent domain wall reorientation in 70/30 lead magnesium niobate- lead titanate thin films

DOE PAGES

Keech, Ryan; Morandi, Carl; Wallace, Margeaux; ...

2017-04-11

Continued reduction in length scales associated with many ferroelectric film-based technologies is contingent on retaining the functional properties as the film thickness is reduced. Epitaxial and polycrystalline lead magnesium niobate - lead titanate (70PMN-30PT) thin films were studied over the thickness range of 100-350 nm for the relative contributions to property thickness dependence from interfacial and grain boundary low permittivity layers. Epitaxial PMN-PT films were grown on SrRuO 3 /(001)SrTiO 3, while polycrystalline films with {001}-Lotgering factors >0.96 were grown on Pt/TiO 2/SiO 2/Si substrates via chemical solution deposition. Both film types exhibited similar relative permittivities of ~300 at highmore » fields at all measured thicknesses with highly crystalline electrode/dielectric interfaces. These results, with the DC-biased and temperature dependent dielectric characterization, suggest irreversible domain wall mobility is the major contributor to the overall dielectric response and its thickness dependence. In epitaxial films, the irreversible Rayleigh coefficients reduced 85% upon decreasing thickness from 350 to 100 nm. The temperature at which a peak in the relative permittivity is observed was the only measured small signal quantity which was more thickness dependent in polycrystalline than epitaxial films. This is attributed to the relaxor nature present in the films, potentially stabilized by defect concentrations, and/or chemical inhomogeneity. Finally, the effective interfacial layers are found to contribute to the measured thickness dependence in the longitudinal piezoelectric coefficient.« less

Fixed Packed Bed Reactors in Reduced Gravity

NASA Technical Reports Server (NTRS)

Motil, Brian J.; Balakotaiah, Vemuri; Kamotani, Yasuhiro; McCready, Mark J.

2004-01-01

We present experimental data on flow pattern transitions, pressure drop and flow characteristics for cocurrent gas-liquid flow through packed columns in microgravity. The flow pattern transition data indicates that the pulse flow regime exists over a wider range of gas and liquid flow rates under microgravity conditions compared to 1-g and the widely used Talmor map in 1-g is not applicable for predicting the transition boundaries. A new transition criterion between bubble and pulse flow in microgravity is proposed and tested using the data. Since there is no static head in microgravity, the pressure drop measured is the true frictional pressure drop. The pressure drop data, which has much smaller scatter than most reported 1-g data clearly shows that capillary effects can enhance the pressure drop (especially in the bubble flow regime) as much as 200% compared to that predicted by the single phase Ergun equation. The pressure drop data are correlated in terms of a two-phase friction factor and its dependence on the gas and liquid Reynolds numbers and the Suratman number. The influence of gravity on the pulse amplitude and frequency is also discussed and compared to that under normal gravity conditions. Experimental work is planned to determine the gas-liquid and liquid-solid mass transfer coefficients. Because of enhanced interfacial effects, we expect the gas-liquid transfer coefficients kLa and kGa (where a is the gas-liquid interfacial area) to be higher in microgravity than in normal gravity at the same flow conditions. This will be verified by gas absorption experiments, with and without reaction in the liquid phase, using oxygen, carbon dioxide, water and dilute aqueous amine solutions. The liquid-solid mass transfer coefficient will also be determined in the bubble as well as the pulse flow regimes using solid benzoic acid particles in the packing and measuring their rate of dissolution. The mass transfer coefficients in microgravity will be compared to those in normal gravity cocurrent flow to determine the mass transfer enhancement and propose new mass transfer correlations for two-phase gas-liquid flows through packed beds in microgravity.

Fixed Packed Bed Reactors in Reduced Gravity

NASA Technical Reports Server (NTRS)

Motil, Brian J.; Balakotaiah, Vemuri; Kamotani, Yasuhiro; McCready, Mark J.

2004-01-01

We present experimental data on flow pattern transitions, pressure drop and flow characteristics for cocurrent gas-liquid flow through packed columns in microgravity. The flow pattern transition data indicates that the pulse flow regime exists over a wider range of gas and liquid flow rates under microgravity conditions compared to 1-g and the widely used Talmor map in 1-g is not applicable for predicting the transition boundaries. A new transition criterion between bubble and pulse flow in microgravity is proposed and tested using the data. Since there is no static head in microgravity, the pressure drop measured is the true frictional pressure drop. The pressure drop data, which has much smaller scatter than most reported 1-g data clearly shows that capillary effects can enhance the pressure drop (especially in the bubble flow regime) as much as 200% compared to that predicted by the single phase Ergun equation. The pressure drop data are correlated in terms of a two-phase friction factor and its dependence on the gas and liquid Reynolds numbers and the Suratman number. The influence of gravity on the pulse amplitude and frequency is also discussed and compared to that under normal gravity conditions. Experimental work is planned to determine the gas-liquid mass transfer coefficients. Because of enhanced interfacial effects, we expect the gas-liquid transfer coefficients k(L)a and k(G)a (where a is the gas-liquid interfacial area) to be higher in microgravity than in normal gravity at the same flow conditions. This will be verified by gas absorption experiments, with and without reaction in the liquid phase, using oxygen, carbon dioxide, water and dilute aqueous amine solutions. The liquid-solid mass transfer coefficient will also be determined in the bubble as well as the pulse flow regimes using solid benzoic acid particles in the packing and measuring their rate of dissolution. The mass transfer coefficients in microgravity will be compared to those in normal gravity cocurrent flow to determine the mass transfer enhancement and propose new mass transfer correlations for two-phase gas-liquid flows through packed beds in microgravity.

Comparison of a direct and indirect ELISA for quantitating antisperm antibody in semen.

PubMed

Lynch, D M; Howe, S E

1987-01-01

A direct and an indirect quantitative ELISA for antisperm antibody were compared using the spermatozoa and cell-free seminal fluid of 66 infertile males. The normal concentration of sperm binding immunoglobulin was less than or equal to 1.5 fg Ig per spermatozoon for the indirect seminal plasma assay and less than or equal to 1.5 fg Ig per spermatozoon by the direct assay. Of the 66 infertile males, 21% (14/66) had elevated levels of antisperm antibody in their seminal plasma and 26% (17/66) had elevated levels bound directly to their spermatozoa. The direct correlation between the results of these assays was 94%. A simple linear regression analysis between the indirect and direct measurements of antisperm antibody resulted in a correlation coefficient of r = 0.907. There was no statistically significant difference between results from the direct and indirect methods of the patients as a group. However, there was evidence of autospecificity in a small percentage of males who had elevated levels of antisperm antibody by the direct assay that was not detected by the indirect assay using pooled donor spermatozoa.

Local viscoelastic response of direct and indirect dental restorative composites measured by AFM.

PubMed

Grattarola, Laura; Derchi, Giacomo; Diaspro, Alberto; Gambaro, Carla; Salerno, Marco

2018-06-08

We investigated the viscoelastic response of direct and indirect dental restorative composites by the novel technique of AM-FM atomic force microscopy. We selected four composites for direct restorations (Adonis, Optifil, EPH, CME) and three composites for indirect restorations (Gradia, Estenia, Signum). Scanning electron microscopy with micro-analysis was also used to support the results. The mean storage modulus of all composites was in the range of 10.2-15.2 GPa. EPH was the stiffest (p<0.05 vs. all other composites but Adonis and Estenia), while no significant difference was observed between direct and indirect group (p≥0.05). For the loss tangent, Gradia had the highest value (~0.3), different (p<0.05) from Optifil (~0.01) and EPH (~0.04) despite the large coefficient of variation (24%), and the direct composites showed higher loss tangent (p<0.01) than the indirect composites. All composites exhibited minor contrast at the edge of fillers, showing that these are pre-polymerized, as confirmed by EDS.

A tire contact solution technique

NASA Technical Reports Server (NTRS)

Tielking, J. T.

1983-01-01

An efficient method for calculating the contact boundary and interfacial pressure distribution was developed. This solution technique utilizes the discrete Fourier transform to establish an influence coefficient matrix for the portion of the pressurized tire surface that may be in the contact region. This matrix is used in a linear algebra algorithm to determine the contact boundary and the array of forces within the boundary that are necessary to hold the tire in equilibrium against a specified contact surface. The algorithm also determines the normal and tangential displacements of those points on the tire surface that are included in the influence coefficient matrix. Displacements within and outside the contact region are calculated. The solution technique is implemented with a finite-element tire model that is based on orthotropic, nonlinear shell of revolution elements which can respond to nonaxisymmetric loads. A sample contact solution is presented.

Aqueous turbulence structure immediately adjacent to the air - water interface and interfacial gas exchange

NASA Astrophysics Data System (ADS)

Wang, Binbin

Air-sea interaction and the interfacial exchange of gas across the air-water interface are of great importance in coupled atmospheric-oceanic environmental systems. Aqueous turbulence structure immediately adjacent to the air-water interface is the combined result of wind, surface waves, currents and other environmental forces and plays a key role in energy budgets, gas fluxes and hence the global climate system. However, the quantification of turbulence structure sufficiently close to the air-water interface is extremely difficult. The physical relationship between interfacial gas exchange and near surface turbulence remains insufficiently investigated. This dissertation aims to measure turbulence in situ in a complex environmental forcing system on Lake Michigan and to reveal the relationship between turbulent statistics and the CO2 flux across the air-water interface. The major objective of this dissertation is to investigate the physical control of the interfacial gas exchange and to provide a universal parameterization of gas transfer velocity from environmental factors, as well as to propose a mechanistic model for the global CO2 flux that can be applied in three dimensional climate-ocean models. Firstly, this dissertation presents an advanced measurement instrument, an in situ free floating Particle Image Velocimetry (FPIV) system, designed and developed to investigate the small scale turbulence structure immediately below the air-water interface. Description of hardware components, design of the system, measurement theory, data analysis procedure and estimation of measurement error were provided. Secondly, with the FPIV system, statistics of small scale turbulence immediately below the air-water interface were investigated under a variety of environmental conditions. One dimensional wave-number spectrum and structure function sufficiently close to the water surface were examined. The vertical profiles of turbulent dissipation rate were intensively studied. Comparison between the turbulence structures measured during the wind wave initiation period and those obtained during the growing period was presented. Significant wave effects on near surface turbulence were found. A universal scaling law was proposed to parameterize turbulent dissipation rate immediately below the air-water interface with friction velocity, significant wave height and wave age. Finally, the gas transfer velocity was measured with a floating chamber (FC) system, along with simultaneously FPIV measurements. Turbulent dissipation rate both at the interface and at a short distance away from the interface (~ 10 cm) were analyzed and used to examine the small scale eddy model. The model coefficient was found to be dependent on the level of turbulence, instead of being a constant. An empirical relationship between the model coefficient and turbulent dissipation rate was provided, which improved the accuracy of the gas transfer velocity estimation by more than 100% for data acquired. Other data from the literature also supported this empirical relation. Furthermore, the relationship between model coefficient and turbulent Reynolds number was also investigated. In addition to physical control of gas exchange, the disturbance on near surface hydrodynamics by the FC was also discussed. Turbulent dissipation rates are enhanced at the short distance away from the interface, while the surface dissipation rates do not change significantly.

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.

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.

Shear strength of metal - SiO2 contacts

NASA Technical Reports Server (NTRS)

Pepper, S. V.

1978-01-01

The strength of the bond between metals and SiO2 is studied by measuring the static coefficient of friction of metals contacting alpha-quartz in ultrahigh vacuum. It was found that copper with either chemisorbed oxygen, nitrogen or sulphur exhibited higher contact strength on stoichiometric SiO2 than did clean copper. Since the surface density of states induced by these species on copper is similar, it appears that the strength of the interfacial bond can be related to the density of states on the metal surface.

Shear strength of metal - SiO2 contacts

NASA Technical Reports Server (NTRS)

Pepper, S. V.

1978-01-01

The strength of the bond between metals and SiO2 was studied by measuring the static coefficient of friction of metals contacting alpha-quartz in ultrahigh vacuum. It was found that copper with either chemisorbed oxygen, nitrogen, or sulphur exhibited higher contact strength on stoichiometric SiO2 than did clean copper. Since the surface density of states induced by these species on copper is similar, it appears that the strength of the interfacial bond can be related to the density of states on the metal surface.

Comparing Indirect Effects in Different Groups in Single-Group and Multi-Group Structural Equation Models

PubMed Central

Ryu, Ehri; Cheong, Jeewon

2017-01-01

In this article, we evaluated the performance of statistical methods in single-group and multi-group analysis approaches for testing group difference in indirect effects and for testing simple indirect effects in each group. We also investigated whether the performance of the methods in the single-group approach was affected when the assumption of equal variance was not satisfied. The assumption was critical for the performance of the two methods in the single-group analysis: the method using a product term for testing the group difference in a single path coefficient, and the Wald test for testing the group difference in the indirect effect. Bootstrap confidence intervals in the single-group approach and all methods in the multi-group approach were not affected by the violation of the assumption. We compared the performance of the methods and provided recommendations. PMID:28553248

Hydration shell parameters of aqueous alcohols: THz excess absorption and packing density.

PubMed

Matvejev, V; Zizi, M; Stiens, J

2012-12-06

Solvation in water requires minimizing the perturbations in its hydrogen bonded network. Hence solutes distort water molecular motions in a surrounding domain, forming a molecule-specific hydration shell. The properties of those hydration shells impact the structure and function of the solubilized molecules, both at the single molecule and at higher order levels. The size of the hydration shell and the picoseconds time-scale water dynamics retardation are revealed by terahertz (THz) absorption coefficient measurements. Room-temperature absorption coefficient at f = 0.28 [THz] is measured as a function of alcohol concentration in aqueous methanol, ethanol, 1,2-propanol, and 1-butanol solutions. Highly diluted alcohol measurements and enhanced overall measurement accuracy are achieved with a THz absorption measurement technique of nL-volume liquids in a capillary tube. In the absorption analysis, bulk and interfacial molecular domains of water and alcohol are considered. THz ideal and excess absorption coefficients are defined in accordance with thermodynamics mixing formulations. The parameter extraction method is developed based on a THz excess absorption model and hydrated solute molecule packing density representation. First, the hydration shell size is deduced from the hydrated solute packing densities at two specific THz excess absorption nonlinearity points: at infinite alcohol dilution (IAD) and at the THz excess absorption extremum (EAE). Consequently, interfacial water and alcohol molecular domain absorptions are deduced from the THz excess absorption model. The hydration shell sizes obtained at the THz excess absorption extremum are in excellent agreement with other reports. The hydration shells of methanol, ethanol, 1- and 2-propanol consist of 13.97, 22.94, 22.99, and 31.10 water molecules, respectively. The hydration shell water absorption is on average 0.774 ± 0.028 times the bulk water absorption. The hydration shell parameters might shed light on hydration dynamics of biomolecules.

Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media.

PubMed

Zhou, L; Qu, Z G; Ding, T; Miao, J Y

2016-04-01

The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems.

Lattice Boltzmann simulation of the gas-solid adsorption process in reconstructed random porous media

NASA Astrophysics Data System (ADS)

Zhou, L.; Qu, Z. G.; Ding, T.; Miao, J. Y.

2016-04-01

The gas-solid adsorption process in reconstructed random porous media is numerically studied with the lattice Boltzmann (LB) method at the pore scale with consideration of interparticle, interfacial, and intraparticle mass transfer performances. Adsorbent structures are reconstructed in two dimensions by employing the quartet structure generation set approach. To implement boundary conditions accurately, all the porous interfacial nodes are recognized and classified into 14 types using a proposed universal program called the boundary recognition and classification program. The multiple-relaxation-time LB model and single-relaxation-time LB model are adopted to simulate flow and mass transport, respectively. The interparticle, interfacial, and intraparticle mass transfer capacities are evaluated with the permeability factor and interparticle transfer coefficient, Langmuir adsorption kinetics, and the solid diffusion model, respectively. Adsorption processes are performed in two groups of adsorbent media with different porosities and particle sizes. External and internal mass transfer resistances govern the adsorption system. A large porosity leads to an early time for adsorption equilibrium because of the controlling factor of external resistance. External and internal resistances are dominant at small and large particle sizes, respectively. Particle size, under which the total resistance is minimum, ranges from 3 to 7 μm with the preset parameters. Pore-scale simulation clearly explains the effect of both external and internal mass transfer resistances. The present paper provides both theoretical and practical guidance for the design and optimization of adsorption systems.

Two Photon Absorption And Refraction in Bulk of the Semiconducting Materials

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

Kumari, Vinay; Department of Physics, DCRUST Murthal, Haryana; Kumar, Vinod

2011-10-20

Fast electronic detection systems have opened up a number of new fields like nonlinear optics, optical communication, coherent optics, optical bistability, two/four wave mixing. The interest in this field has been stimulated by the importance of multiphoton processes in many fundamental aspects of physics. It has proved to be an invaluable tool for determining the optical and electronic properties of the solids because of the fact that one gets the information about the bulk of the material rather than the surface one. In this paper we report, the measurement of the nonlinear absorption and refraction from the band gap tomore » half-band gap region of bulk of semiconductors in the direct and indirect band gap crystals with nanosecond laser. The measured theoretical calculated values of two-photon absorption coefficients ({beta}) and nonlinear refraction n{sub 2}({omega}) of direct band gap crystal match the earlier reported theoretical predictions. By making use of these theoretical calculated values, we have estimated {beta} and n{sub 2}({omega}) in the case of indirect band gap crystals. Low value of absorption coefficient in case of indirect band gap crystals have been attributed to phonon assisted transition while reduction in nonlinear refraction is due to the rise in saturation taking place in the absorption.« less

Biodegradation of artificial monolayers applied to water storages to reduce evaporative loss.

PubMed

Pittaway, P; Herzig, M; Stuckey, N; Larsen, K

2015-01-01

Repeat applications of an artificial monolayer to the interfacial boundary layer of large agricultural water storages during periods of high evaporative demand remains the most commercially feasible water conservation strategy. However, the interfacial boundary layer (or microlayer) is ecologically distinct from subsurface water, and repeat monolayer applications may adversely affect microlayer processes. In this study, the natural cleansing mechanisms operating within the microlayer were investigated to compare the biodegradability of two fatty alcohol (C16OH and C18OH) and one glycol ether (C18E1) monolayer compound. The C16OH and C18OH compounds were more susceptible to microbial degradation, but the C18E1 compound was most susceptible to indirect photodegradation. On clean water the surface pressure and evaporation reduction achieved with a compressed C18E1 monolayer was superior to the C18OH monolayer, but on brown water the surface pressure dropped rapidly. These results suggest artificial monolayers are readily degraded by the synergy between photo and microbial degradation. The residence time of C18OH and C18E1 monolayers on clear water is sufficient for cost-effective water conservation. However, the susceptibility of C18E1 to photodegradation indicates the application of this monolayer to brown water may not be cost-effective.

Interfacial Coupling Effect on Electron Transport in MoS2/SrTiO3 Heterostructure: An Ab-initio Study.

PubMed

Bano, Amreen; Gaur, N K

2018-01-15

A variety of theoretical and experimental works have reported several potential applications of MoS 2 monolayer based heterostructures (HSs) such as light emitting diodes, photodetectors and field effect transistors etc. In the present work, we have theoretically performed as a model case study, MoS 2 monolayer deposited over insulating SrTiO 3 (001) to study the band alignment at TiO 2 termination. The interfacial characteristics are found to be highly dependent on the interface termination. With an insulating oxide material, a significant band gap (0.85eV) is found in MoS 2 /TiO 2 interface heterostructure (HS). A unique electronic band profile with an indirect band gap (0.67eV) is observed in MoS 2 monolayer when confined in a cubic environment of SrTiO 3 (STO). Adsorption analysis showed the chemisorption of MoS 2 on the surface of STO substrate with TiO 2 termination which is justified by the charge density calculations that shows the existence of covalent bonding at the interface. The fabrication of HS of such materials paves the path for developing the unprecedented 2D materials with exciting properties such as semiconducting devices, thermoelectric and optoelectronic applications.

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

Prof. P. Somasundaran

The aim of the project is to develop and evaluate efficient novel surfactant mixtures for enhanced oil recovery. Preliminary ultra-filtration tests suggest that two kinds of micelles may exist in binary surfactant mixtures at different concentrations. Due to the important role played in interfacial processes by micelles as determined by their structures, focus of the current work is on the delineation of the relationship between such aggregate structures and chemical compositions of the surfactants. A novel analytical centrifuge application is explored to generate information on structures of different surfactants aggregates. In this report, optical systems, typical output of the analyticalmore » ultracentrifuge results and four basic experiments are discussed. Initial sedimentation velocity investigations were conducted using nonyl phenol ethoxylated decyl ether (NP-10) to choose the best analytical protocol, calculate the partial specific volume and obtain information on sedimentation coefficient, aggregation mass of micelles. The partial specific volume was calculated to be 0.920. Four softwares: Optima{trademark} XL-A/XL-I data analysis software, DCDT+, Svedberg and SEDFIT, were compared for the analysis of sedimentation velocity experimental data. The sedimentation coefficient and aggregation number of NP-10 micelles obtained using the first three softwares at 25 C are 209, 127, and 111, respectively. The last one is closest to the result from Light Scattering. The reason for the differences in numbers obtained using the three softwares is discussed. Based on these tests, Svedberg and SEDFIT analysis are chosen for further studies. This approach using the analytical ultracentrifugation offers an unprecedented opportunity now to obtain important information on mixed micelles and their role in interfacial processes.« less

Studies on fluid dynamics of the flow field and gas transfer in orbitally shaken tubes.

PubMed

Zhu, Li-Kuan; Song, Bo-Yan; Wang, Zhen-Long; Monteil, Dominique T; Shen, Xiao; Hacker, David L; De Jesus, Maria; Wurm, Florian M

2017-01-01

Orbitally shaken cylindrical bioreactors [OrbShake bioreactors (OSRs)] without an impeller or sparger are increasingly being used for the suspension cultivation of mammalian cells. Among small volume OSRs, 50-mL tubes with a ventilated cap (OSR50), originally derived from standard laboratory centrifuge tubes with a conical bottom, have found many applications including high-throughput screening for the optimization of cell cultivation conditions. To better understand the fluid dynamics and gas transfer rates at the liquid surface in OSR50, we established a three-dimensional simulation model of the unsteady liquid forms (waves) in this vessel. The studies verified that the operating conditions have a large effect on the interfacial surface. The volumetric mass transfer coefficient (k L a) was determined experimentally and from simulations under various working conditions. We also determined the liquid-phase mass transfer coefficient (k L ) and the specific interfacial area (a) under different conditions to demonstrate that the value of a affected the gas transfer rate more than did the value of k L . High oxygen transfer rates, sufficient for supporting the high-density culture of mammalian cells, were found. Finally, the average axial velocity of the liquid was identified to be an important parameter for maintaining cells in suspension. Overall these studies provide valuable insights into the preferable operating conditions for the OSR50, such as those needed for cell cultures requiring high oxygen levels. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 33:192-200, 2017. © 2016 American Institute of Chemical Engineers.

Numerical Analysis of the Heat Transfer Characteristics within an Evaporating Meniscus

NASA Astrophysics Data System (ADS)

Ball, Gregory

A numerical analysis was performed as to investigate the heat transfer characteristics of an evaporating thin-film meniscus. A mathematical model was used in the formulation of a third order ordinary differential equation. This equation governs the evaporating thin-film through use of continuity, momentum, energy equations and the Kelvin-Clapeyron model. This governing equation was treated as an initial value problem and was solved numerically using a Runge-Kutta technique. The numerical model uses varying thermophysical properties and boundary conditions such as channel width, applied superheat, accommodation coefficient and working fluid which can be tailored by the user. This work focused mainly on the effects of altering accommodation coefficient and applied superheat. A unified solution is also presented which models the meniscus to half channel width. The model was validated through comparison to literature values. In varying input values the following was determined; increasing superheat was found to shorten the film thickness and greatly increase the interfacial curvature overshoot values. The effect of decreasing accommodation coefficient lengthened the thin-film and retarded the evaporative effects.

Numerical investigation of electromagnetic pulse welded interfaces between dissimilar metals

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

Xu, Wei; Sun, Xin

Electromagnetic pulse welding (EMPW), an innovative high-speed joining technique, is a potential method for the automotive industry in joining and assembly of dissimilar lightweight metals with drastically different melting temperatures and other thermal physical properties, such as thermal conductivity and thermal expansion coefficients. The weld quality of EMPW is significantly affected by a variety of interacting physical phenomena including large plastic deformation, materials mixing, localized heating and rapid cooling, possible localized melting and subsequent diffusion and solidification, micro-cracking and void, etc. In the present study, a thermo-mechanically coupled dynamic model has been developed to quantitatively resolve the high-speed impact joiningmore » interface characteristics as well as the process-induced interface temperature evolution, defect formation and possible microstructural composition variation. Reasonably good agreement has been obtained between the predicted results and experimental measurements in terms of interfacial morphology characteristics. The modeling framework is expected to provide further understanding of the hierarchical interfacial features of the non-equilibrium material joining process and weld formation mechanisms involved in the EMPW operation, thus accelerating future development and deployment of this advanced joining technology.« less

Thermal stability of Ag, Al, Sn, Pb, and Hg films reinforced by 2D (C, Si) crystals and the formation of interfacial fluid states in them upon heating. MD experiment

NASA Astrophysics Data System (ADS)

Polukhin, V. A.; Kurbanova, E. D.

2016-02-01

Molecular dynamics simulation is used to study the thermal stability of the interfacial states of metallic Al, Ag, Sn, Pb, and Hg films (i.e., the structural elements of superconductor composites and conducting electrodes) reinforced by 2D graphene and silicene crystals upon heating up to disordering and to analyze the formation of nonautonomous fluid pseudophases in interfaces. The effect of perforation defects in reinforcing 2D-C and 2D-Si planes with passivated edge covalent bonds on the atomic dynamics is investigated. As compared to Al and Ag, the diffusion coefficients in Pd and Hg films increase monotonically with temperature during thermally activated disordering processes, the interatomic distances decrease, the sizes decrease, drops form, and their density profile grows along the normal. The coagulation of Pb and Hg drops is accompanied by a decrease in the contact angle, the reduction of the interface contact with graphene, and the enhancement of its corrugation (waviness).

Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide

DOE PAGES

Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O.; ...

2015-11-03

We studied the dynamics of water in polyethylene oxide (PEO)/LiCl solution with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. Furthermore, the measured diffusion coefficient of interfacial water remained 5–10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li +. Detailed analysis of MD trajectories suggests that Li + is favorably found at the surface of the hydration layer, and the probability to find the caged Li + configuration formed by themore » PEO is lower than for the noncaged Li +-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li + hydration complexes. Moreover, performing the MD simulation with different ions (Na + and K +) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.« less

Partial to complete wetting transitions in immiscible ternary blends with PLA: the influence of interfacial confinement.

PubMed

Zolali, Ali M; Favis, Basil D

2017-04-12

In this study it is shown that the three different intermediate phases in melt blended ternary PLA/PHBV/PBS, PLA/PBAT/PE and PLA/PE/PBAT systems all demonstrate partial wetting, but have very different wetting behaviors as a function of composition and annealing. The interfacial tension of the various components, their spreading coefficients and the contact angles of the confined partially wet droplets at the interface are examined in detail. A wetting transition from partially wet droplets to a complete layer at the interface is observed for both PHBV and PBAT by increasing the concentration and also by annealing. In contrast, in PLA/PE/PBAT, the partially wet droplets of PE at the interface of PLA/PBAT coalesce and grow in size, but remain partially wet even at a high PE concentration of 20% and after 30 min of quiescent annealing. The dewetting speed of the intermediate phase is found to be the principal factor controlling these wetting transitions. This work shows the significant potential for controlled wetting and structuring in ternary polymer systems.

Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide

NASA Astrophysics Data System (ADS)

Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O.; Jalarvo, Niina H.; Hong, Kunlun; Han, Youngkyu; Smith, Gregory S.; Do, Changwoo

2015-11-01

The dynamics of water in polyethylene oxide (PEO)/LiCl solution has been studied with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. The measured diffusion coefficient of interfacial water remained 5-10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li+ . Detailed analysis of MD trajectories suggests that Li+ is favorably found at the surface of the hydration layer, and the probability to find the caged Li+ configuration formed by the PEO is lower than for the noncaged Li+-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li+ hydration complexes. Performing the MD simulation with different ions (Na+ and K+ ) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.

Dynamics of Water Associated with Lithium Ions Distributed in Polyethylene Oxide.

PubMed

Zhang, Zhe; Ohl, Michael; Diallo, Souleymane O; Jalarvo, Niina H; Hong, Kunlun; Han, Youngkyu; Smith, Gregory S; Do, Changwoo

2015-11-06

The dynamics of water in polyethylene oxide (PEO)/LiCl solution has been studied with quasielastic neutron scattering experiments and molecular dynamics (MD) simulations. Two different time scales of water diffusion representing interfacial water and bulk water dynamics have been identified. The measured diffusion coefficient of interfacial water remained 5-10 times smaller than that of bulk water, but both were slowed by approximately 50% in the presence of Li(+). Detailed analysis of MD trajectories suggests that Li(+) is favorably found at the surface of the hydration layer, and the probability to find the caged Li(+) configuration formed by the PEO is lower than for the noncaged Li(+)-PEO configuration. In both configurations, however, the slowing down of water molecules is driven by reorienting water molecules and creating water-Li(+) hydration complexes. Performing the MD simulation with different ions (Na(+) and K(+)) revealed that smaller ionic radius of the ions is a key factor in disrupting the formation of PEO cages by allowing spaces for water molecules to come in between the ion and PEO.

Tunable two-dimensional interfacial coupling in molecular heterostructures

DOE PAGES

Xu, Beibei; Chakraborty, Himanshu; Yadav, Vivek K.; ...

2017-08-22

Two-dimensional van der Waals heterostructures are of considerable interest for the next generation nanoelectronics because of their unique interlayer coupling and optoelectronic properties. Here, we report a modified Langmuir–Blodgett method to organize twodimensional molecular charge transfer crystals into arbitrarily and vertically stacked heterostructures, consisting of bis(ethylenedithio)tetrathiafulvalene (BEDT–TTF)/C 60 and poly (3-dodecylthiophene-2,5-diyl) (P3DDT)/C 60 nanosheets. A strong and anisotropic interfacial coupling between the charge transfer pairs is demonstrated. The van der Waals heterostructures exhibit pressure dependent sensitivity with a high piezoresistance coefficient of -4.4 × 10 -6 Pa -1, and conductance and capacitance tunable by external stimuli (ferroelectric field and magneticmore » field). Density functional theory calculations confirm charge transfer between the n-orbitals of the S atoms in BEDT–TTF of the BEDT–TTF/C 60 layer and the π* orbitals of C atoms in C 60 of the P3DDT/C 60 layer contribute to the inter-complex CT. Thus, the two-dimensional molecular van der Waals heterostructures with tunable optical–electronic–magnetic coupling properties are promising for flexible electronic applications.« less

Under What Conditions Can Equilibrium Gas-Particle Partitioning Be Expected to Hold in the Atmosphere?

PubMed

Mai, Huajun; Shiraiwa, Manabu; Flagan, Richard C; Seinfeld, John H

2015-10-06

The prevailing treatment of secondary organic aerosol formation in atmospheric models is based on the assumption of instantaneous gas-particle equilibrium for the condensing species, yet compelling experimental evidence indicates that organic aerosols can exhibit the properties of highly viscous, semisolid particles, for which gas-particle equilibrium may be achieved slowly. The approach to gas-particle equilibrium partitioning is controlled by gas-phase diffusion, interfacial transport, and particle-phase diffusion. Here we evaluate the controlling processes and the time scale to achieve gas-particle equilibrium as a function of the volatility of the condensing species, its surface accommodation coefficient, and its particle-phase diffusivity. For particles in the size range of typical atmospheric organic aerosols (∼50-500 nm), the time scale to establish gas-particle equilibrium is generally governed either by interfacial accommodation or particle-phase diffusion. The rate of approach to equilibrium varies, depending on whether the bulk vapor concentration is constant, typical of an open system, or decreasing as a result of condensation into the particles, typical of a closed system.

Three-Dimensional Tracking of Interfacial Hopping Diffusion

NASA Astrophysics Data System (ADS)

Wang, Dapeng; Wu, Haichao; Schwartz, Daniel K.

2017-12-01

Theoretical predictions have suggested that molecular motion at interfaces—which influences processes including heterogeneous catalysis, (bio)chemical sensing, lubrication and adhesion, and nanomaterial self-assembly—may be dominated by hypothetical "hops" through the adjacent liquid phase, where a diffusing molecule readsorbs after a given hop according to a probabilistic "sticking coefficient." Here, we use three-dimensional (3D) single-molecule tracking to explicitly visualize this process for human serum albumin at solid-liquid interfaces that exert varying electrostatic interactions on the biomacromolecule. Following desorption from the interface, a molecule experiences multiple unproductive surface encounters before readsorption. An average of approximately seven surface collisions is required for the repulsive surfaces, decreasing to approximately two and a half for surfaces that are more attractive. The hops themselves are also influenced by long-range interactions, with increased electrostatic repulsion causing hops of longer duration and distance. These findings explicitly demonstrate that interfacial diffusion is dominated by biased 3D Brownian motion involving bulk-surface coupling and that it can be controlled by influencing short- and long-range adsorbate-surface interactions.

Cross-Plane Seebeck Coefficient Measurement of Misfit Layered Compounds (SnSe)n(TiSe2)n (n = 1,3,4,5).

PubMed

Li, Zhen; Bauers, Sage R; Poudel, Nirakar; Hamann, Danielle; Wang, Xiaoming; Choi, David S; Esfarjani, Keivan; Shi, Li; Johnson, David C; Cronin, Stephen B

2017-03-08

We report cross-plane thermoelectric measurements of misfit layered compounds (SnSe) n (TiSe 2 ) n (n = 1,3,4,5), approximately 50 nm thick. Metal resistance thermometers are fabricated on the top and bottom of the (SnSe) n (TiSe 2 ) n material to measure the temperature difference and heat transport through the material directly. By varying the number of layers in a supercell, n, we vary the interface density while maintaining a constant global stoichiometry. The Seebeck coefficient measured across the (SnSe) n (TiSe 2 ) n samples was found to depend strongly on the number of layers in the supercell (n). When n decreases from 5 to 1, the cross-plane Seebeck coefficient decreases from -31 to -2.5 μV/K, while the cross-plane effective thermal conductivity decreases by a factor of 2, due to increased interfacial phonon scattering. The cross-plane Seebeck coefficients of the (SnSe) n (TiSe 2 ) n are very different from the in-plane Seebeck coefficients, which are higher in magnitude and less sensitive to the number of layers in a supercell, n. We believe this difference is due to the different carrier types in the n-SnSe and p-TiSe 2 layers and the effect of tunneling on the cross-plane transport.

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

Takaki, Hirokazu; Kobayashi, Kazuaki; Shimono, Masato

We present the thermoelectric properties of TiN/MgO superlattices employing first-principles calculation techniques. The Seebeck coefficients, the electrical conductances, the thermal conductances, and the figure of merit are investigated employing electrical and thermal transport calculations based on density functional theory combined with the nonequilibrium Green's function and nonequilibrium molecular dynamics simulation methods. The TiN/MgO superlattices with a small lattice mismatch at the interfaces are ideal systems to study the way for an enhancement of thermoelectric properties in artificial nanostructures. We find that the interfacial scattering between the two materials in the metal/insulator superlattices causes the electrical conductance to change rapidly, whichmore » enhances the Seebeck coefficient significantly. We show that the figure of merit for the artificial superlattice nanostructures has a much larger value compared with that of the bulk material and changes drastically with the superlattice configurations at the atomistic level.« less

A Study Of High Speed Friction Behavior Under Elastic Loading Conditions

NASA Astrophysics Data System (ADS)

Crawford, P. J.; Hammerberg, J. E.

2005-03-01

The role of interfacial dynamics under high strain-rate conditions is an important constitutive relationship in modern modeling and simulation studies of dynamic events (<100 μs in length). The frictional behavior occurring at the interface between two metal surfaces under high elastic loading and sliding speed conditions is studied using the Rotating Barrel Gas Gun (RBGG) facility. The RBGG utilizes a low-pressure gas gun to propel a rotating annular projectile towards an annular target rod. Upon striking the target, the projectile imparts both an axial and a torsional impulse into the target. Resulting elastic waves are measured using strain gauges attached to the target rod. The kinetic coefficient of friction is obtained through an analysis of the resulting strain wave data. Experiments performed using Cu/Cu, Cu/Stainless steel and Cu/Al interfaces provide some insight into the kinetic coefficient of friction behavior at varying sliding speeds and impact loads.

Steady State Condition in the Measurement of VO2and VCO2by Indirect Calorimetry.

PubMed

Cadena, M; Sacristan, E; Infante, O; Escalante, B; Rodriguez, F

2005-01-01

Resting Metabolic Rate (RMR) is computed using VO2and VCO2short time 15-minute window measurement with Indirect Calorimetry (IC) instruments designed with mixing chamber. Steady state condition using a 10% variation coefficient criteria is the main objective to achieve metabolic long time prediction reliability. This study address how susceptible is the steady state VO2, VCO2measurement condition to the clino-orthostatic physiological maneuver. 30 young healthy subjects were analyzed. Only 18 passed the 10% variation coefficient inclusive criteria. They were exposed to 10 minutes clino-stage and 10 minutes orthostage. The hypothesis tests show not statistical significance (p< 0.1) in the average and variance analysis. It is concluded that the steady state is not influenced by the patient position IC test, probably because IC mixing chamber instruments are insensitive to detect a mayor physiological dynamics changes that can modify the steady state definition.

Analysis of China department water consumption efficiency

NASA Astrophysics Data System (ADS)

Li, Wei; Wang, Xi-Feng; Liu, Jia-Hong

2018-03-01

The water comparable non-competitive input-out model of China in 2002, 2007 and 2012 is established to calculate the department water consumption efficiency. The water direct and complete consumption coefficients of 38 departments are analysed. Agriculture and Electricity and steam supply have the highest water consumption coefficients and utilize water resource mainly by the direct way. Manufacture of food products and tobacco products, Manufacture of textiles, Manufacture of wearing apparel and leather products and Information service activities have high water complete consumption coefficients and affect water consumption mainly by the indirect way. Water complete consumption efficiency measures the efficiency from the view of final product, which reflected the department water use driving force more precisely.

Evaluation of Oxidation Damage in Thermal Barrier Coating Systems

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Miller, Robert A.

1996-01-01

A method based on the technique of dilatometry has been established to quantitatively evaluate the interfacial damage due to the oxidation in a thermal barrier coating system. Strain isolation and adhesion coefficients have been proposed to characterize the thermal barrier coating (TBC) performance based on its thermal expansion behavior. It has been found that, for a thermal barrier coating system consisting of ZrO2-8%Y2O3/FeCrAlY/4140 steel substrate, the oxidation of the bond coat and substrate significantly reduced the ceramic coating adherence, as inferred from the dilatometry measurements. The in-situ thermal expansion measurements under 30 deg C to 700 deg C thermal cycling in air showed that the adhesion coefficient, A(sub i) decreased by 25% during the first 35 oxidation cycles. Metallography showed that delamination occurred at both the ceramic/bond coat and bond coat/substrate interfaces. In addition, the strain isolation effect has been improved by increasing the FeCrAlY bond coat thickness. The strain isolation coefficient, Si, increased from about 0.04 to 0.25, as the bond coat thickness changed from 0.1 mm to 1.0 mm. It may be possible to design optimum values of strain isolation and interface adhesion coefficients to achieve the best TBC performance.

Optical band gap and spectroscopic study of lithium alumino silicate glass containing Y 3+ ions

NASA Astrophysics Data System (ADS)

Shakeri, M. S.; Rezvani, M.

2011-09-01

The effect of different amounts of Y 2O 3 dopant on lithium alumino silicate (LAS) glass has been studied in this work. Glasses having 14.8Li 2O-20Al 2O 3-65.2SiO 2 (wt%) composition accompanied with Y 2O 3 dopant were prepared by normal melting process. In order to calculate the absorption coefficient of samples, transmittance and reflectance spectra of polished samples were measured in the room temperature. Optical properties i.e. Fermi energy level, direct and indirect optical band gaps and Urbach energy were calculated using functionality of extinction coefficient from Fermi-Dirac distribution function, Tauc's plot and the exponential part of absorption coefficient diagram, respectively. It has been clarified that variation in mentioned optical parameters is associated with the changes in physical properties of samples i.e. density or molar mass. On the other hand, increasing of Y 3+ ions in the glassy microstructure of samples provides a semiconducting character to LAS glass by reducing the direct and indirect optical band gaps of glass samples from 1.97 to 1.67 and 3.46 to 2.1 (eV), respectively. These changes could be attributed to the role of Y 3+ ions as the network former in the track of SiO 4 tetrahedrals.

A network analysis of indirect carbon emission flows among different industries in China.

PubMed

Du, Qiang; Xu, Yadan; Wu, Min; Sun, Qiang; Bai, Libiao; Yu, Ming

2018-06-17

Indirect carbon emissions account for a large ratio of the total carbon emissions in processes to make the final products, and this implies indirect carbon emission flow across industries. Understanding these flows is crucial for allocating a carbon allowance for each industry. By combining input-output analysis and complex network theory, this study establishes an indirect carbon emission flow network (ICEFN) for 41 industries from 2005 to 2014 to investigate the interrelationships among different industries. The results show that the ICEFN was consistent with a small-world nature based on an analysis of the average path lengths and the clustering coefficients. Moreover, key industries in the ICEFN were identified using complex network theory on the basis of degree centrality and betweenness centrality. Furthermore, the 41 industries of the ICEFN were divided into four industrial subgroups that are related closely to one another. Finally, possible policy implications were provided based on the knowledge of the structure of the ICEFN and its trend.

Laser Indirect Shock Welding of Fine Wire to Metal Sheet.

PubMed

Wang, Xiao; Huang, Tao; Luo, Yapeng; Liu, Huixia

2017-09-12

The purpose of this paper is to present an advanced method for welding fine wire to metal sheet, namely laser indirect shock welding (LISW). This process uses silica gel as driver sheet to accelerate the metal sheet toward the wire to obtain metallurgical bonding. A series of experiments were implemented to validate the welding ability of Al sheet/Cu wire and Al sheet/Ag wire. It was found that the use of a driver sheet can maintain high surface quality of the metal sheet. With the increase of laser pulse energy, the bonding area of the sheet/wire increased and the welding interfaces were nearly flat. Energy dispersive spectroscopy (EDS) results show that the intermetallic phases were absent and a short element diffusion layer which would limit the formation of the intermetallic phases emerging at the welding interface. A tensile shear test was used to measure the mechanical strength of the welding joints. The influence of laser pulse energy on the tensile failure modes was investigated, and two failure modes, including interfacial failure and failure through the wire, were observed. The nanoindentation test results indicate that as the distance to the welding interface decreased, the microhardness increased due to the plastic deformation becoming more violent.

Effect of the concentration of magnetic grains on the linear-optical-absorption coefficient of ferrofluid-doped lyotropic mesophases: deviation from the Beer-Lambert law.

PubMed

Cuppo, F L S; Gómez, S L; Figueiredo Neto, A M

2004-04-01

In this paper is reported a systematic experimental study of the linear-optical-absorption coefficient of ferrofluid-doped isotropic lyotropic mixtures as a function of the magnetic-grains concentration. The linear optical absorption of ferrolyomesophases increases in a nonlinear manner with the concentration of magnetic grains, deviating from the usual Beer-Lambert law. This behavior is associated to the presence of correlated micelles in the mixture which favors the formation of small-scale aggregates of magnetic grains (dimers), which have a higher absorption coefficient with respect to that of isolated grains. We propose that the indirect heating of the micelles via the ferrofluid grains (hyperthermia) could account for this nonlinear increase of the linear-optical-absorption coefficient as a function of the grains concentration.

Cloud Condensation Nuclei Prediction Error from Application of Kohler Theory: Importance for the Aerosol Indirect Effect

NASA Technical Reports Server (NTRS)

Sotiropoulou, Rafaella-Eleni P.; Nenes, Athanasios; Adams, Peter J.; Seinfeld, John H.

2007-01-01

In situ observations of aerosol and cloud condensation nuclei (CCN) and the GISS GCM Model II' with an online aerosol simulation and explicit aerosol-cloud interactions are used to quantify the uncertainty in radiative forcing and autoconversion rate from application of Kohler theory. Simulations suggest that application of Koehler theory introduces a 10-20% uncertainty in global average indirect forcing and 2-11% uncertainty in autoconversion. Regionally, the uncertainty in indirect forcing ranges between 10-20%, and 5-50% for autoconversion. These results are insensitive to the range of updraft velocity and water vapor uptake coefficient considered. This study suggests that Koehler theory (as implemented in climate models) is not a significant source of uncertainty for aerosol indirect forcing but can be substantial for assessments of aerosol effects on the hydrological cycle in climatically sensitive regions of the globe. This implies that improvements in the representation of GCM subgrid processes and aerosol size distribution will mostly benefit indirect forcing assessments. Predictions of autoconversion, by nature, will be subject to considerable uncertainty; its reduction may require explicit representation of size-resolved aerosol composition and mixing state.

Understanding interactions in the adsorption of gaseous organic compounds to indoor materials.

PubMed

Ongwandee, Maneerat; Chatsuvan, Thabtim; Suksawas Na Ayudhya, Wichitsawat; Morris, John

2017-02-01

We studied adsorption of organic compounds to a wide range of indoor materials, including plastics, gypsum board, carpet, and many others, under various relative humidity conditions by applying a conceptual model of the free energy of interfacial interactions of both van der Waals and Lewis acid-base (e-donor/acceptor) types. Data used for the analyses were partitioning coefficients of adsorbates between surface and gas phase obtained from three sources: our sorption experiments and two other published studies. Target organic compounds included apolars, monopolars, and bipolars. We established correlations of partitioning coefficients of adsorbates for a considered surface with the corresponding hexadecane/air partitioning coefficients of the adsorbates which are used as representative of a van der Waals descriptor instead of vapor pressure. The logarithmic adsorption coefficients of the apolars and weak bases, e.g., aliphatics and aromatics, to indoor materials linearly correlates well with the logarithmic hexadecane/air partitioning coefficients regardless of the surface polarity. The surface polarity in terms of e-donor/acceptor interactions becomes important for adsorption of the strong bases and bipolars, e.g., amines, phenols, and alcohols, to unpainted gypsum board. Under dry or humid conditions, the adsorption to flat plastic materials still linearly correlates well with the van der Waals interactions of the adsorbates, but no correlations were observed for the adsorption to fleecy or plush materials, e.g., carpet. Adsorption of highly bipolar compounds, e.g., phenol and isopropanol, is strongly affected by humidity, attributed to Lewis acid-base interactions with modified surfaces.

New sensitive micro-measurements of dynamic surface tension and diffusion coefficients: Validated and tested for the adsorption of 1-Octanol at a microscopic air-water interface and its dissolution into water.

PubMed

Kinoshita, Koji; Parra, Elisa; Needham, David

2017-02-15

Currently available dynamic surface tension (DST) measurement methods, such as Wilhelmy plate, droplet- or bubble-based methods, still have various experimental limitations such as the large size of the interface, convection in the solution, or a certain "dead time" at initial measurement. These limitations create inconsistencies for the kinetic analysis of surfactant adsorption/desorption, especially significant for ionic surfactants. Here, the "micropipette interfacial area-expansion method" was introduced and validated as a new DST measurement having a high enough sensitivity to detect diffusion controlled molecular adsorption at the air-water interfaces. To validate the new technique, the diffusion coefficient of 1-Octanol in water was investigated with existing models: the Ward Tordai model for the long time adsorption regime (1-100s), and the Langmuir and Frumkin adsorption isotherm models for surface excess concentration. We found that the measured diffusion coefficient of 1-Octanol, 7.2±0.8×10 -6 cm 2 /s, showed excellent agreement with the result from an alternative method, "single microdroplet catching method", to measure the diffusion coefficient from diffusion-controlled microdroplet dissolution, 7.3±0.1×10 -6 cm 2 /s. These new techniques for determining adsorption and diffusion coefficients can apply for a range of surface active molecules, especially the less-characterized ionic surfactants, and biological compounds such as lipids, peptides, and proteins. Copyright © 2016 Elsevier Inc. All rights reserved.

Determination of stream reaeration coefficients by use of tracers

USGS Publications Warehouse

Kilpatrick, F.A.; Rathbun, R.E.; Yotsukura, N.; Parker, G.W.; DeLong, L.L.

1987-01-01

Stream reaeration is the physical absorption of oxygen from the atmosphere by a flowing stream. This is the primary process by which a stream replenishes the oxygen consumed in the biodegradation of organic wastes.Prior to 1965, reaeration rate coefficients could be estimated only by indirect methods. In 1965, a direct method of measuring stream reaeration coefficients was developed in which a radioactive tracer gas was injected into a stream--the tracer gas being desorbed from the stream inversely to how oxygen would be absorbed. The technique has since been modified by substituting hydrocarbon gases for the radioactive tracer gas.This manual describes the slug-injection and constant-rate injection methods of performing gas-tracer desorption measurements. Emphasis is on the use of rhodamine WT dye as a relatively conservative tracer and propane as the nonconservative gas tracer, on planning field tests, methods of injection, sampling and analysis, and computational techniques to compute desorption and reaeration coefficients.

Measurement of the Onsager coefficients of mixed ionic-electronic conduction in oxides

NASA Astrophysics Data System (ADS)

Lee, Doh-Kwon; Yoo, Han-Ill

2007-06-01

In the phenomenon of mixed ionic-electronic conduction in solid state, a flow of mobile ions (Ji) may be induced not only directly by their own electrochemical potential gradient (∇ηi) , but also indirectly by that of electrons (∇ηe) , and vice versa for a flow of electrons (Je) or Jm=-Lmn∇ηn (m,n=i,e) . We have recently succeeded in determining experimentally all the four Onsager coefficients Lmn on the system of TiO2 , and reported [Phys. Rev. Lett. 97, 255901 (2006)] that the Onsager reciprocity is verified within 1.3% error bound (Lie/Lei=0.993±0.013) and contrary to the general belief, the cross coefficient is not only not negligible but also even larger than a direct one (1.5⩽Lie/Lii⩽3.7) . This paper details the experimental technique which allows one to measure all the Onsager coefficients in a mixed conductor oxide.

Determination of the hypersonic-continuum/rarefied-flow drag coefficient of the Viking lander capsule 1 aeroshell from flight data

NASA Technical Reports Server (NTRS)

Blanchard, R. C.; Walberg, G. D.

1980-01-01

Results of an investigation to determine the full scale drag coefficient in the high speed, low density regime of the Viking lander capsule 1 entry vehicle are presented. The principal flight data used in the study were from onboard pressure, mass spectrometer, and accelerometer instrumentation. The hypersonic continuum flow drag coefficient was unambiguously obtained from pressure and accelerometer data; the free molecule flow drag coefficient was indirectly estimated from accelerometer and mass spectrometer data; the slip flow drag coefficient variation was obtained from an appropriate scaling of existing experimental sphere data. Comparison of the flight derived drag hypersonic continuum flow regime except for Reynolds numbers from 1000 to 100,000, for which an unaccountable difference between flight and ground test data of about 8% existed. The flight derived drag coefficients in the free molecule flow regime were considerably larger than those previously calculated with classical theory. The general character of the previously determined temperature profile was not changed appreciably by the results of this investigation; however, a slightly more symmetrical temperature variation at the highest altitudes was obtained.

Identifying Bearing Rotodynamic Coefficients Using an Extended Kalman Filter

NASA Technical Reports Server (NTRS)

Miller, Brad A.; Howard, Samuel A.

2008-01-01

An Extended Kalman Filter is developed to estimate the linearized direct and indirect stiffness and damping force coefficients for bearings in rotor dynamic applications from noisy measurements of the shaft displacement in response to imbalance and impact excitation. The bearing properties are modeled as stochastic random variables using a Gauss-Markov model. Noise terms are introduced into the system model to account for all of the estimation error, including modeling errors and uncertainties and the propagation of measurement errors into the parameter estimates. The system model contains two user-defined parameters that can be tuned to improve the filter's performance; these parameters correspond to the covariance of the system and measurement noise variables. The filter is also strongly influenced by the initial values of the states and the error covariance matrix. The filter is demonstrated using numerically simulated data for a rotor bearing system with two identical bearings, which reduces the number of unknown linear dynamic coefficients to eight. The filter estimates for the direct damping coefficients and all four stiffness coefficients correlated well with actual values, whereas the estimates for the cross-coupled damping coefficients were the least accurate.

Influences of surface modification of nano-silica by silane coupling agents on the thermal and frictional properties of cyanate ester resin

NASA Astrophysics Data System (ADS)

Chuang, Wang; Geng-sheng, Jiao; Lei, Peng; Bao-lin, Zhu; Ke-zhi, Li; Jun-long, Wang

2018-06-01

The surface of nano-silicon dioxide (nano-SiO2) particles was modified by small molecular coupling agent KH-560 and macromolecular coupling agent SEA-171, respectively, to change the surface activity and structure. The modified nano-SiO2 was then used for reinforcing cyanate ester resin (CE). Influences of the content of nano-SiO2 and the interfacial structure over the thermal and frictional properties of nano-SiO2/CE composites were investigated. The mechanism of the surface modification of silicon dioxide by KH-560 and SEA-171 was discussed. The experimental results show that the addition of coupling agents increased the interfacial bonding between nano-SiO2 particles and the CE resin so that the heat resistance and friction properties of the composites were improved. After surface treatment of nano-SiO2 by SEA-171, the thermal decomposition temperature of the 3.0 wt% nano-SiO2/CE composites increased nearly by 75 °C and the frictional coefficient was reduced by 25% compared with that of the pure CE, and the wear resistance increased by 77%.

Parameterization of an interfacial force field for accurate representation of peptide adsorption free energy on high-density polyethylene

PubMed Central

Abramyan, Tigran M.; Snyder, James A.; Yancey, Jeremy A.; Thyparambil, Aby A.; Wei, Yang; Stuart, Steven J.; Latour, Robert A.

2015-01-01

Interfacial force field (IFF) parameters for use with the CHARMM force field have been developed for interactions between peptides and high-density polyethylene (HDPE). Parameterization of the IFF was performed to achieve agreement between experimental and calculated adsorption free energies of small TGTG–X–GTGT host–guest peptides (T = threonine, G = glycine, and X = variable amino-acid residue) on HDPE, with ±0.5 kcal/mol agreement. This IFF parameter set consists of tuned nonbonded parameters (i.e., partial charges and Lennard–Jones parameters) for use with an in-house-modified CHARMM molecular dynamic program that enables the use of an independent set of force field parameters to control molecular behavior at a solid–liquid interface. The R correlation coefficient between the simulated and experimental peptide adsorption free energies increased from 0.00 for the standard CHARMM force field parameters to 0.88 for the tuned IFF parameters. Subsequent studies are planned to apply the tuned IFF parameter set for the simulation of protein adsorption behavior on an HDPE surface for comparison with experimental values of adsorbed protein orientation and conformation. PMID:25818122

PEDOT:PSS/graphene quantum dots films with enhanced thermoelectric properties via strong interfacial interaction and phase separation.

PubMed

Du, Fei-Peng; Cao, Nan-Nan; Zhang, Yun-Fei; Fu, Ping; Wu, Yan-Guang; Lin, Zhi-Dong; Shi, Run; Amini, Abbas; Cheng, Chun

2018-04-24

The typical conductive polymer of PEDOT:PSS has recently attracted intensive attention in thermoelectric conversion because of its low cost and low thermal conductivity as well as high electrical conductivity. However, compared to inorganic counterparts, the relatively poor thermoelectric performance of PEDOT:PSS has greatly limited its development and high-tech applications. Here, we report a dramatic enhancement in the thermoelectric performance of PEDOT:PSS by constructing unique composite films with graphene quantum dots (GQDs). At room temperature, the electrical conductivity and Seebeck coefficient of PEDOT:PSS/GQDs reached to 7172 S/m and 14.6 μV/K, respectively, which are 30.99% and 113.2% higher than those of pristine PEDOT:PSS. As a result, the power factor of the optimized PEDOT:PSS/GQDs composite is 550% higher than that of pristine PEDOT:PSS. These significant improvements are attributed to the ordered alignment of PEDOT chains on the surface of GQDs, originated from the strong interfacial interaction between PEDOT:PSS and GQDs and the separation of PEDOT and PSS phases. This study evidently provides a promising route for PEDOT:PSS applied in high-efficiency thermoelectric conversion.

Towards a drift-free multi-level Phase Change Memory

NASA Astrophysics Data System (ADS)

Cinar, Ibrahim; Ozdemir, Servet; Cogulu, Egecan; Gokce, Aisha; Stipe, Barry; Katine, Jordan; Aktas, Gulen; Ozatay, Ozhan

For ultra-high density data storage applications, Phase Change Memory (PCM) is considered a potentially disruptive technology. Yet, the long-term reliability of the logic levels corresponding to the resistance states of a PCM device is an important issue for a stable device operation since the resistance levels drift uncontrollably in time. The underlying mechanism for the resistance drift is considered as the structural relaxation and spontaneous crystallization at elevated temperatures. We fabricated a nanoscale single active layer-phase change memory cell with three resistance levels corresponding to crystalline, amorphous and intermediate states by controlling the current injection site geometry. For the intermediate state and the reset state, the activation energies and the trap distances have been found to be 0.021 eV and 0.235 eV, 1.31 nm and 7.56 nm, respectively. We attribute the ultra-low and weakly temperature dependent drift coefficient of the intermediate state (ν = 0.0016) as opposed to that of the reset state (ν = 0.077) as being due to the dominant contribution of the interfacial defects in electrical transport in the case of the mixed phase. Our results indicate that the engineering of interfacial defects will enable a drift-free multi-level PCM device design.

Atomistic modeling of metallic thin films by modified embedded atom method

NASA Astrophysics Data System (ADS)

Hao, Huali; Lau, Denvid

2017-11-01

Molecular dynamics simulation is applied to investigate the deposition process of metallic thin films. Eight metals, titanium, vanadium, iron, cobalt, nickel, copper, tungsten, and gold, are chosen to be deposited on the aluminum substrate. The second nearest-neighbor modified embedded atom method potential is adopted to predict their thermal and mechanical properties. When quantifying the screening parameters of the potential, the error for Young's modulus and coefficient of thermal expansion between the simulated results and the experimental measurements is less than 15%, demonstrating the reliability of the potential to predict metallic behaviors related to thermal and mechanical properties. A set of potential parameters which governs the interactions between aluminum and other metals in a binary system is also generated from ab initio calculation. The details of interfacial structures between the chosen films and substrate are successfully simulated with the help of these parameters. Our results indicate that the preferred orientation of film growth depends on the film crystal structure, and the inter-diffusion at the interface is correlated the cohesive energy parameter of potential for the binary system. Such finding provides an important basis to further understand the interfacial science, which contributes to the improvement of the mechanical properties, reliability and durability of films.

Estimation of indirect effect when the mediator is a censored variable.

PubMed

Wang, Jian; Shete, Sanjay

2017-01-01

A mediation model explores the direct and indirect effects of an initial variable ( X) on an outcome variable ( Y) by including a mediator ( M). In many realistic scenarios, investigators observe censored data instead of the complete data. Current research in mediation analysis for censored data focuses mainly on censored outcomes, but not censored mediators. In this study, we proposed a strategy based on the accelerated failure time model and a multiple imputation approach. We adapted a measure of the indirect effect for the mediation model with a censored mediator, which can assess the indirect effect at both the group and individual levels. Based on simulation, we established the bias in the estimations of different paths (i.e. the effects of X on M [ a], of M on Y [ b] and of X on Y given mediator M [ c']) and indirect effects when analyzing the data using the existing approaches, including a naïve approach implemented in software such as Mplus, complete-case analysis, and the Tobit mediation model. We conducted simulation studies to investigate the performance of the proposed strategy compared to that of the existing approaches. The proposed strategy accurately estimates the coefficients of different paths, indirect effects and percentages of the total effects mediated. We applied these mediation approaches to the study of SNPs, age at menopause and fasting glucose levels. Our results indicate that there is no indirect effect of association between SNPs and fasting glucose level that is mediated through the age at menopause.

Optical band gap and spectroscopic study of lithium alumino silicate glass containing Y3+ ions.

PubMed

Shakeri, M S; Rezvani, M

2011-09-01

The effect of different amounts of Y2O3 dopant on lithium alumino silicate (LAS) glass has been studied in this work. Glasses having 14.8Li2O-20Al2O3-65.2SiO2 (wt%) composition accompanied with Y2O3 dopant were prepared by normal melting process. In order to calculate the absorption coefficient of samples, transmittance and reflectance spectra of polished samples were measured in the room temperature. Optical properties i.e. Fermi energy level, direct and indirect optical band gaps and Urbach energy were calculated using functionality of extinction coefficient from Fermi-Dirac distribution function, Tauc's plot and the exponential part of absorption coefficient diagram, respectively. It has been clarified that variation in mentioned optical parameters is associated with the changes in physical properties of samples i.e. density or molar mass. On the other hand, increasing of Y3+ ions in the glassy microstructure of samples provides a semiconducting character to LAS glass by reducing the direct and indirect optical band gaps of glass samples from 1.97 to 1.67 and 3.46 to 2.1 (eV), respectively. These changes could be attributed to the role of Y3+ ions as the network former in the track of SiO4 tetrahedrals. Copyright © 2011 Elsevier B.V. All rights reserved.

Study of Fluorinated Quantum Dots-Protein Interactions at the Oil/Water Interface by Interfacial Surface Tension Changes.

PubMed

Carrillo-Carrión, Carolina; Gallego, Marta; Parak, Wolfgang J; Carril, Mónica

2018-05-08

Understanding the interaction of nanoparticles with proteins and how this interaction modifies the nanoparticles’ surface is crucial before their use for biomedical applications. Since fluorinated materials are emerging as potential imaging probes and delivery vehicles, their interaction with proteins of biological interest must be studied in order to be able to predict their performance in real scenarios. It is known that fluorinated planar surfaces may repel the unspecific adsorption of proteins but little is known regarding the same process on fluorinated nanoparticles due to the scarce examples in the literature. In this context, the aim of this work is to propose a simple and fast methodology to study fluorinated nanoparticle-protein interactions based on interfacial surface tension (IFT) measurements. This technique is particularly interesting for fluorinated nanoparticles due to their increased hydrophobicity. Our study is based on the determination of IFT variations due to the interaction of quantum dots of ca. 5 nm inorganic core/shell diameter coated with fluorinated ligands (QD_F) with several proteins at the oil/water interface. Based on the results, we conclude that the presence of QD_F do not disrupt protein spontaneous film formation at the oil/water interface. Even if at very low concentrations of proteins the film formation in the presence of QD_F shows a slower rate, the final interfacial tension reached is similar to that obtained in the absence of QD_F. The differential behaviour of the studied proteins (bovine serum albumin, fibrinogen and apotransferrin) has been discussed on the basis of the adsorption affinity of each protein towards DCM/water interface and their different sizes. Additionally, it has been clearly demonstrated that the proposed methodology can serve as a complementary technique to other reported direct and indirect methods for the evaluation of nanoparticle-protein interactions at low protein concentrations.

CL-20/DNB co-crystal based PBX with PEG: molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhang, Jiang; Gao, Pei; Xiao, Ji Jun; Zhao, Feng; Xiao, He Ming

2016-12-01

Molecular dynamics simulation was carried out for CL-20/DNB co-crystal based PBX (polymer-bonded explosive) blended with polymer PEG (polyethylene glycol). In this paper, the miscibility of the PBX models is investigated through the calculated binding energy. Pair correlation function (PCF) analysis is applied to study the interaction of the interface structures in the PBX models. The mechanical properties of PBXs are also discussed to understand the change of the mechanical properties after adding the polymer. Moreover, the calculated diffusion coefficients of the interfacial explosive molecules are used to discuss the dispersal ability of CL-20 and DNB molecules in the interface layer.

Predictions of nucleation theory applied to Ehrenfest thermodynamic transitions

NASA Technical Reports Server (NTRS)

Barker, R. E., Jr.; Campbell, K. W.

1984-01-01

A modified nucleation theory is used to determine a critical nucleus size and a critical activation-energy barrier for second-order Ehrenfest thermodynamic transitions as functions of the degree of undercooling, the interfacial energy, the heat-capacity difference, the specific volume of the transformed phase, and the equilibrium transition temperature. The customary approximations of nucleation theory are avoided by expanding the Gibbs free energy in a Maclaurin series and applying analytical thermodynamic expressions to evaluate the expansion coefficients. Nonlinear correction terms for first-order-transition calculations are derived, and numerical results are presented graphically for water and polystyrene as examples of first-order and quasi-second-order transitions, respectively.

Effective charges and zeta potentials of oil in water microemulsions in the presence of Hofmeister salts.

PubMed

Dos Santos, Alexandre P; Levin, Yan

2018-06-14

We present a theory which allows us to calculate the effective charge and zeta potential of oil droplets in microemulsions containing Hofmeister salts. A modified Poisson-Boltzmann equation is used to account for the surface and ion polarizations and hydrophobic and dispersion interactions. The ions are classified as kosmotropes and chaotropes according to their Jones-Dole viscosity B coefficient. Kosmotropes stay hydrated and do not enter into the oil phase, while chaotropes can adsorb to the oil-water interface. The effective interaction potentials between ions and oil-water interface are parametrized so as to accurately account for the excess interfacial tension.

Effective charges and zeta potentials of oil in water microemulsions in the presence of Hofmeister salts

NASA Astrophysics Data System (ADS)

dos Santos, Alexandre P.; Levin, Yan

2018-06-01

We present a theory which allows us to calculate the effective charge and zeta potential of oil droplets in microemulsions containing Hofmeister salts. A modified Poisson-Boltzmann equation is used to account for the surface and ion polarizations and hydrophobic and dispersion interactions. The ions are classified as kosmotropes and chaotropes according to their Jones-Dole viscosity B coefficient. Kosmotropes stay hydrated and do not enter into the oil phase, while chaotropes can adsorb to the oil-water interface. The effective interaction potentials between ions and oil-water interface are parametrized so as to accurately account for the excess interfacial tension.

High power densities from high-temperature material interactions. [in thermionic energy conversion and metallic fluid heat pipes

NASA Technical Reports Server (NTRS)

Morris, J. F.

1981-01-01

Thermionic energy conversion (TEC) and metallic-fluid heat pipes (MFHPs), offering unique advantages in terrestrial and space energy processing by virtue of operating on working-fluid vaporization/condensation cycles that accept great thermal power densities at high temperatures, share complex materials problems. Simplified equations are presented that verify and solve such problems, suggesting the possibility of cost-effective applications in the near term for TEC and MFHP devices. Among the problems discussed are: the limitation of alkali-metal corrosion, protection against hot external gases, external and internal vaporization, interfacial reactions and diffusion, expansion coefficient matching, and creep deformation.

Acculturation, enculturation, and Asian American college students' mental health and attitudes toward seeking professional psychological help.

PubMed

Miller, Matthew J; Yang, Minji; Hui, Kayi; Choi, Na-Yeun; Lim, Robert H

2011-07-01

In the present study, we tested a theoretically and empirically derived partially indirect effects acculturation and enculturation model of Asian American college students' mental health and attitudes toward seeking professional psychological help. Latent variable path analysis with 296 self-identified Asian American college students supported the partially indirect effects model and demonstrated the ways in which behavioral acculturation, behavioral enculturation, values acculturation, values enculturation, and acculturation gap family conflict related to mental health and attitudes toward seeking professional psychological help directly and indirectly through acculturative stress. We also tested a generational status moderator hypothesis to determine whether differences in model-implied relationships emerged across U.S.- (n = 185) and foreign-born (n = 107) participants. Consistent with this hypothesis, statistically significant differences in structural coefficients emerged across generational status. Limitations, future directions for research, and counseling implications are discussed.

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

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

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less

Experimental evidence for the evolution of indirect genetic effects: changes in the interaction effect coefficient, psi (Psi), due to sexual selection.

PubMed

Chenoweth, Stephen F; Rundle, Howard D; Blows, Mark W

2010-06-01

Indirect genetics effects (IGEs)--when the genotype of one individual affects the phenotypic expression of a trait in another--may alter evolutionary trajectories beyond that predicted by standard quantitative genetic theory as a consequence of genotypic evolution of the social environment. For IGEs to occur, the trait of interest must respond to one or more indicator traits in interacting conspecifics. In quantitative genetic models of IGEs, these responses (reaction norms) are termed interaction effect coefficients and are represented by the parameter psi (Psi). The extent to which Psi exhibits genetic variation within a population, and may therefore itself evolve, is unknown. Using an experimental evolution approach, we provide evidence for a genetic basis to the phenotypic response caused by IGEs on sexual display traits in Drosophila serrata. We show that evolution of the response is affected by sexual but not natural selection when flies adapt to a novel environment. Our results indicate a further mechanism by which IGEs can alter evolutionary trajectories--the evolution of interaction effects themselves.

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.

Laboratory Experiments and Modeling of Pooled NAPL Dissolution in Porous Media

NASA Astrophysics Data System (ADS)

Copty, N. K.; Sarikurt, D. A.; Gokdemir, C.

2017-12-01

The dissolution of non-aqueous phase liquids (NAPLs) entrapped in porous media is commonly modeled at the continuum scale as the product of a chemical potential and an interphase mass transfer coefficient, the latter expressed in terms of Sherwood correlations that are related to flow and porous media properties. Because of the lack of precise estimates of the interface area separating the NAPL and aqueous phase, numerous studies have lumped the interfacial area into the interphase mass transfer coefficient. In this paper controlled dissolution experiments from a pooled NAPL were conducted. The immobile NAPL mass is placed at the bottom of a flow cell filled with porous media with water flowing on top. Effluent aqueous phase concentrations were measured for a wide range of aqueous phase velocities and for two types of porous media. To interpret the experimental results, a two-dimensional pore network model of the NAPL dissolution was developed. The well-defined geometry of the NAPL-water interface and the observed effluent concentrations were used to compute best-fit mass transfer coefficients and non-lumped Sherwood correlations. Comparing the concentrations predicted with the pore network model to simple previously used one-dimensional analytic solutions indicates that the analytic model which ignores the transverse dispersion can lead to over-estimation of the mass transfer coefficient. The predicted Sherwood correlations are also compared to previously published data and implications on NAPL remediation strategies are discussed.

The role of internal dynamics in the coherent evolution of indirect excitons

NASA Astrophysics Data System (ADS)

Grasselli, Federico; Bertoni, Andrea; Goldoni, Guido

2017-08-01

We study the time-dependent quantum scattering of a spatially indirect exciton by an external potential, taking fully into account the relative quantum dynamics of the electron-hole (e-h) pair. Exact calculations for an e-h wave packet show that transfer of energy between centre-of-mass (c.m.) and relative degrees of freedom may result in a genuine correction to the evolution during the scattering and eventually at asymptotic times. We show in experimentally relevant regimes and device configurations, that transmission resonances, tunnelling probabilities, diffraction patterns and wave packet fragmentation of indirect excitons are largely determined by the internal dynamics, and could not be reproduced by point-like dipole models or mean-field calculations. We show that a properly-designed local self-energy potential to be added to the c.m. Hamiltonian embeds the effects of the c.m.-internal motion correlation at a small fraction of the computation load needed for full-propagation calculations. The explicit form of this self-energy emphasises the dominant role of internal virtual transitions in determining scattering coefficients of indirect excitons.

Effects of urban sprawl and vehicle miles traveled on traffic fatalities.

PubMed

Yeo, Jiho; Park, Sungjin; Jang, Kitae

2015-01-01

Previous research suggests that urban sprawl increases auto-dependency and that excessive auto use increases the risk of traffic fatalities. This indirect effect of urban sprawl on traffic fatalities is compared to non-vehicle miles traveled (VMT)-related direct effect of sprawl on fatalities. We conducted a path analysis to examine the causal linkages among urban sprawl, VMT, traffic fatalities, income, and fuel cost. The path diagram includes 2 major linkages: the direct relationship between urban sprawl and traffic fatalities and the indirect effect on fatalities through increased VMT in sprawling urban areas. To measure the relative strength of these causal linkages, path coefficients are estimated using data collected nationally from 147 urbanized areas in the United States. Through both direct and indirect paths, urban sprawl is associated with greater numbers of traffic fatalities, but the direct effect of sprawl on fatalities is more influential than the indirect effect. Enhancing traffic safety can be achieved by impeding urban sprawl and encouraging compact development. On the other hand, policy tools reducing VMT may be less effective than anticipated for traffic safety.

Imaging fluorescent nanoparticles to probe photoinduced charging of a semiconductor-solution interface.

PubMed

Peterson, Eric M; Harris, Joel M

2013-09-24

Optically transparent semiconductors allow simultaneous control of interfacial electrical potential and spectroscopic observation of chemistry near the electrode surface. Care must be taken, however, to avoid unwanted photoexcitation-induced charging of the semiconductor electrode that could influence the results. In this work, we investigate the in situ surface charging by photoexcitation well below the band gap of an optically transparent semiconductor, indium-tin oxide (ITO) electrode. Using total-internal-reflection fluorescence microscopy, the population of ~100-nm negatively charged carboxylate-polystyrene fluorescent nanoparticles at an ITO-aqueous solution interface could be monitored in situ. At positive applied potentials (~0.7 V versus Ag/AgCl), nanoparticles accumulate reversibly in the electrical double-layer of the ITO surface, and the interfacial nanoparticle populations increase with 488-nm excitation intensity. The potential sensitivity of nanoparticle population exhibited no dependence on excitation intensity, varied from 0.1 to 10 W cm(-2), while the onset potential for particle accumulation shifted by as much as 0.3 V. This shift in surface potential appears to be due to photoexcitation-induced charging of the ITO, even though the excitation radiation photon energy, ~2.4 eV, is well below the primary band gap of ITO, >3.5 eV. A kinetic model was developed to determine the photon order of electron-hole generation relative to the electron-hole recombination. The photoexcitation process was found to be first-order in photon flux, suggesting one-photon excitation of an indirect band gap or defect sites, rather than two-photon excitation into the direct band gap. A control experiment was conducted with red-fluorescent carboxylate-polystyrene particles that were counted using 647-nm excitation, where the photon energy is below the indirect band gap or defect site energy and where the optical absorption of the film vanishes. Red illumination between 1 and 15 W cm(-2) produced no detectable shifts in the onset accumulation potential, which is consistent with the negligible optical absorption of the ITO film at this longer wavelength.

Improved flexoelectricity in PVDF/barium strontium titanate (BST) nanocomposites

NASA Astrophysics Data System (ADS)

Hu, Xinping; Zhou, Yang; Liu, Jie; Chu, Baojin

2018-04-01

The flexoelectric effect of polymers is normally much weaker than that of ferroelectric oxides. In order to improve the flexoelectric response of the poly(vinylidene fluoride) (PVDF) ferroelectric polymer, PVDF/Ba0.67Si0.33TiO3 (BST) nanocomposites were fabricated. BST nanofibers were prepared by the electrospinning method, and the fibers were further surface modified with H2O2 to achieve a stronger interfacial interaction between the fibers and polymer matrix. Due to the high dielectric properties and strong flexoelectric effect of the BST, both dielectric constant and flexoelectric response of the composite with 25 vol. % surface modified BST are 3-4 times higher than those of PVDF. The dependence of the dielectric constant and the flexoelectric coefficient on the composition of the nanocomposites can be fitted by the empirical Yamada model, and the dielectric constant and the flexoelectric coefficient are correlated by a linear relationship. This study provides an approach to enhance the flexoelectric response of PVDF-based polymers.

Kinetics of the Absorption of CO{sub 2} in Aqueous Solutions of N-Methyldiethanolamine plus Triethylene Tetramine

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

Amann, J.M.G.; Bouallou, C.

2009-04-15

This work focuses on the development of a new solvent for CO{sub 2} capture. This new solvent is an aqueous solution with a blend of N-methyldiethanolamine (MDEA) and triethylene tetramine (TETA), an amine with four amino groups. CO{sub 2} absorption was investigated between 298 and 333 K using a Lewis cell with a constant interfacial area. Several concentrations of MDEA (17.5 and 40 wt %) and TETA (3 and 6 wt %) were assessed. The influence of the CO{sub 2} partial pressure on the absorption rate was pointed out. The addition of small amount of TETA leads to a highmore » increase in the CO{sub 2} absorption rates. A numerical model based on the film theory was used to determine the rate coefficients between CO{sub 2} and TETA for the different solvents. The physicochemical parameters have a huge influence on the determination of the rate coefficients.« less

Rapid determination of octanol-water partition coefficient using vortex-assisted liquid-liquid microextraction.

PubMed

Román, Iván P; Mastromichali, Anna; Tyrovola, Konstantina; Canals, Antonio; Psillakis, Elefteria

2014-02-21

Vortex-assisted liquid-liquid microextraction (VALLME) coupled with high-performance liquid chromatography (HPLC) is proposed here for the rapid determination of octanol-water partitioning coefficients (Kow). VALLME uses vortex agitation, a mild emulsification procedure, to disperse microvolumes of octanol in the aqueous phase thus increasing the interfacial contact area and ensuring faster partitioning rates. With VALLME, 2min were enough to achieve equilibrium conditions between the octanolic and aqueous phases. Upon equilibration, separation was achieved using centrifugation and the octanolic microdrop was collected and analyzed in a HPLC system. Six model compounds with logKow values ranging between ∼0.5 and 3.5 were used during the present investigations. The proposed method produced logKow values that were consistent with previously published values and the recorded uncertainty was well within the acceptable log unit range. Overall, the key features of the proposed Kow determination procedure comprised speed, reliability, simplicity, low cost and minimal solvent consumption. Copyright © 2014 Elsevier B.V. All rights reserved.

Are Predictive Equations for Estimating Resting Energy Expenditure Accurate in Asian Indian Male Weightlifters?

PubMed

Joseph, Mini; Gupta, Riddhi Das; Prema, L; Inbakumari, Mercy; Thomas, Nihal

2017-01-01

The accuracy of existing predictive equations to determine the resting energy expenditure (REE) of professional weightlifters remains scarcely studied. Our study aimed at assessing the REE of male Asian Indian weightlifters with indirect calorimetry and to compare the measured REE (mREE) with published equations. A new equation using potential anthropometric variables to predict REE was also evaluated. REE was measured on 30 male professional weightlifters aged between 17 and 28 years using indirect calorimetry and compared with the eight formulas predicted by Harris-Benedicts, Mifflin-St. Jeor, FAO/WHO/UNU, ICMR, Cunninghams, Owen, Katch-McArdle, and Nelson. Pearson correlation coefficient, intraclass correlation coefficient, and multiple linear regression analysis were carried out to study the agreement between the different methods, association with anthropometric variables, and to formulate a new prediction equation for this population. Pearson correlation coefficients between mREE and the anthropometric variables showed positive significance with suprailiac skinfold thickness, lean body mass (LBM), waist circumference, hip circumference, bone mineral mass, and body mass. All eight predictive equations underestimated the REE of the weightlifters when compared with the mREE. The highest mean difference was 636 kcal/day (Owen, 1986) and the lowest difference was 375 kcal/day (Cunninghams, 1980). Multiple linear regression done stepwise showed that LBM was the only significant determinant of REE in this group of sportspersons. A new equation using LBM as the independent variable for calculating REE was computed. REE for weightlifters = -164.065 + 0.039 (LBM) (confidence interval -1122.984, 794.854]. This new equation reduced the mean difference with mREE by 2.36 + 369.15 kcal/day (standard error = 67.40). The significant finding of this study was that all the prediction equations underestimated the REE. The LBM was the sole determinant of REE in this population. In the absence of indirect calorimetry, the REE equation developed by us using LBM is a better predictor for calculating REE of professional male weightlifters of this region.

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

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

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

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

NASA Astrophysics Data System (ADS)

Saye, Robert

2017-09-01

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

Molecular mechanics of tropocollagen-hydroxyapatite biomaterials

NASA Astrophysics Data System (ADS)

Dubey, Devendra Kumar

Hard biomaterials such as bone, dentin, and nacre show remarkable mechanical performance and serve as inspiration for development of next generation of composite materials with high strength and toughness. Such materials have primarily an organic phase (e.g. tropocollagen (TC) or chitin) and a mineral phase (e.g. hydroxyapatite (HAP) or aragonite) arranged in a staggered arrangement at nanoscopic length scales. Interfacial interactions between the organic phases and the mineral phases and structural effects arising due to the staggered and hierarchical arrangements are identified to be the two most important determinants for high mechanical performance of such biomaterials. Effects of these determinants in such biomaterials are further intertwined with factors such as loading configuration, chemical environment, mineral crystal shape, and residue sequences in polymer chains. Atomistic modeling is a desired approach to investigate such sub nanoscale issues as experimental techniques for investigations at such small scale are still in nascent stage. For this purpose, explicit three dimensional (3D) molecular dynamics (MD) and ab initio MD simulations of quasi-static mechanical deformations of idealized Tropocollagen-Hydroxyapatite (TC-HAP) biomaterials with distinct interfacial arrangements and different loading configurations are performed. Focus is on developing insights into the molecular level mechanics of TC-HAP biomaterials at fundamental lengthscale with emphasis on interface phenomenon. Idealized TC-HAP atomistic models are analyzed for their mechanical strength and fracture failure behavior from the viewpoint of interfacial interactions between TC and HAP and associated molecular mechanisms. In particular, study focuses on developing an understanding of factors such as role of interfacial structural arrangement, hierarchical structure design, influence of water, effect of changes in HAP crystal shape, and mutations in TC molecule on the mechanical strength of TC-HAP biomaterials. In conjunction, a continuum level tension-shear-chain (TSC) model is also implemented to analyze fracture resistance characteristics in TC-HAP nanocomposites. Results and analyses shed light on the failure mechanisms in TC-HAP type nanocomposite systems with a chemo-mechanical understanding of the interfacial interaction between TC and HAP. Analyses show that (1) failure of TC-HAP nanocomposites at nanoscale is predominantly peak strain dependent phenomenon, (2) presence of water in most cases strengthens the TC-HAP biomaterial by acting as a bridge via hydrogen bond mediated crosslinks, (3) TC-HAP nanostructures with plate shaped HAP crystals show higher toughness and stability as compared to TC-HAP nanostructures with needle shaped HAP crystals, and (4) mutations in TC are responsible for Osteogenesis Imperfecta bone disorder in an indirect manner, wherein mutations in TC affect the shape and distribution of mineral phase during growth and nucleation period of bone. Overall study emphasizes that interfacial structural arrangement between polymer phase and mineral phase in TC-HAP and similar nanocomposite biomaterials is an important factor in determining their mechanical strength and should be carefully studied and selected for development of high performance nanocomposite biomaterials. Findings and understandings from this research have significant impact on polymer-ceramic nanocomposite mechanics, biomaterial and biomimetic materials development, and bone fragility disorders related medical science development.

A physically constrained classical description of the homogeneous nucleation of ice in water.

PubMed

Koop, Thomas; Murray, Benjamin J

2016-12-07

Liquid water can persist in a supercooled state to below 238 K in the Earth's atmosphere, a temperature range where homogeneous nucleation becomes increasingly probable. However, the rate of homogeneous ice nucleation in supercooled water is poorly constrained, in part, because supercooled water eludes experimental scrutiny in the region of the homogeneous nucleation regime where it can exist only fleetingly. Here we present a new parameterization of the rate of homogeneous ice nucleation based on classical nucleation theory. In our approach, we constrain the key terms in classical theory, i.e., the diffusion activation energy and the ice-liquid interfacial energy, with physically consistent parameterizations of the pertinent quantities. The diffusion activation energy is related to the translational self-diffusion coefficient of water for which we assess a range of descriptions and conclude that the most physically consistent fit is provided by a power law. The other key term is the interfacial energy between the ice embryo and supercooled water whose temperature dependence we constrain using the Turnbull correlation, which relates the interfacial energy to the difference in enthalpy between the solid and liquid phases. The only adjustable parameter in our model is the absolute value of the interfacial energy at one reference temperature. That value is determined by fitting this classical model to a selection of laboratory homogeneous ice nucleation data sets between 233.6 K and 238.5 K. On extrapolation to temperatures below 233 K, into a range not accessible to standard techniques, we predict that the homogeneous nucleation rate peaks between about 227 and 231 K at a maximum nucleation rate many orders of magnitude lower than previous parameterizations suggest. This extrapolation to temperatures below 233 K is consistent with the most recent measurement of the ice nucleation rate in micrometer-sized droplets at temperatures of 227-232 K on very short time scales using an X-ray laser technique. In summary, we present a new physically constrained parameterization for homogeneous ice nucleation which is consistent with the latest literature nucleation data and our physical understanding of the properties of supercooled water.

Mechanisms of the anomalous Pockels effect in bulk water

NASA Astrophysics Data System (ADS)

Yukita, Shunpei; Suzuki, Yuto; Shiokawa, Naoyuki; Kobayashi, Takayoshi; Tokunaga, Eiji

2018-04-01

The "anomalous" Pockels effect is a phenomenon that a light beam passing between two electrodes in an aqueous electrolyte solution is deflected by an AC voltage applied between the electrodes: the deflection angle is proportional to the voltage such that the incident beam alternately changes its direction. This phenomenon, the Pockels effect in bulk water, apparently contradicts what is believed in nonlinear optics, i.e., macroscopic inversion symmetry should be broken for the second-order nonlinear optical effect to occur such as the first-order electro-optic effect, i.e., the Pockels effect. To clarify the underlying mechanism, the dependence of the effect on the electrode material is investigated to find that the Pockels coefficient with Pt electrodes is two orders of magnitude smaller than with indium tin oxide (ITO) electrodes. It is experimentally confirmed that the Pockels effect of interfacial water in the electric double layer (EDL) on these electrodes shows an electrode dependence similar to the effect in bulk water while the effects depend on the frequency of the AC voltage such that the interfacial signal decreases with frequency but the bulk signal increases with frequency up to 221 Hz. These experimental results lead to a conclusion that the beam deflection is caused by the refractive index gradient in the bulk water region, which is formed transiently by the Pockels effect of interfacial water in the EDL when an AC electric field is applied. The refractive index gradient is caused by the diffuse layer spreading into the bulk region to work as a breaking factor of inversion symmetry of bulk water due to its charge-biased ionic distribution. This mechanism does not contradict the principle of nonlinear optics.

To Model Chemical Reactivity in Heterogeneous Emulsions, Think Homogeneous Microemulsions.

PubMed

Bravo-Díaz, Carlos; Romsted, Laurence Stuart; Liu, Changyao; Losada-Barreiro, Sonia; Pastoriza-Gallego, Maria José; Gao, Xiang; Gu, Qing; Krishnan, Gunaseelan; Sánchez-Paz, Verónica; Zhang, Yongliang; Dar, Aijaz Ahmad

2015-08-25

Two important and unsolved problems in the food industry and also fundamental questions in colloid chemistry are how to measure molecular distributions, especially antioxidants (AOs), and how to model chemical reactivity, including AO efficiency in opaque emulsions. The key to understanding reactivity in organized surfactant media is that reaction mechanisms are consistent with a discrete structures-separate continuous regions duality. Aggregate structures in emulsions are determined by highly cooperative but weak organizing forces that allow reactants to diffuse at rates approaching their diffusion-controlled limit. Reactant distributions for slow thermal bimolecular reactions are in dynamic equilibrium, and their distributions are proportional to their relative solubilities in the oil, interfacial, and aqueous regions. Our chemical kinetic method is grounded in thermodynamics and combines a pseudophase model with methods for monitoring the reactions of AOs with a hydrophobic arenediazonium ion probe in opaque emulsions. We introduce (a) the logic and basic assumptions of the pseudophase model used to define the distributions of AOs among the oil, interfacial, and aqueous regions in microemulsions and emulsions and (b) the dye derivatization and linear sweep voltammetry methods for monitoring the rates of reaction in opaque emulsions. Our results show that this approach provides a unique, versatile, and robust method for obtaining quantitative estimates of AO partition coefficients or partition constants and distributions and interfacial rate constants in emulsions. The examples provided illustrate the effects of various emulsion properties on AO distributions such as oil hydrophobicity, emulsifier structure and HLB, temperature, droplet size, surfactant charge, and acidity on reactant distributions. Finally, we show that the chemical kinetic method provides a natural explanation for the cut-off effect, a maximum followed by a sharp reduction in AO efficiency with increasing alkyl chain length of a particular AO. We conclude with perspectives and prospects.

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.

Laser Indirect Shock Welding of Fine Wire to Metal Sheet

PubMed Central

Wang, Xiao; Huang, Tao; Luo, Yapeng; Liu, Huixia

2017-01-01

The purpose of this paper is to present an advanced method for welding fine wire to metal sheet, namely laser indirect shock welding (LISW). This process uses silica gel as driver sheet to accelerate the metal sheet toward the wire to obtain metallurgical bonding. A series of experiments were implemented to validate the welding ability of Al sheet/Cu wire and Al sheet/Ag wire. It was found that the use of a driver sheet can maintain high surface quality of the metal sheet. With the increase of laser pulse energy, the bonding area of the sheet/wire increased and the welding interfaces were nearly flat. Energy dispersive spectroscopy (EDS) results show that the intermetallic phases were absent and a short element diffusion layer which would limit the formation of the intermetallic phases emerging at the welding interface. A tensile shear test was used to measure the mechanical strength of the welding joints. The influence of laser pulse energy on the tensile failure modes was investigated, and two failure modes, including interfacial failure and failure through the wire, were observed. The nanoindentation test results indicate that as the distance to the welding interface decreased, the microhardness increased due to the plastic deformation becoming more violent. PMID:28895900

[Analysis of energy expenditure in adults with cystic fibrosis: comparison of indirect calorimetry and prediction equations].

PubMed

Fuster, Casilda Olveira; Fuster, Gabriel Olveira; Galindo, Antonio Dorado; Galo, Alicia Padilla; Verdugo, Julio Merino; Lozano, Francisco Miralles

2007-07-01

Undernutrition, which implies an imbalance between energy intake and energy requirements, is common in patients with cystic fibrosis. The aim of this study was to compare resting energy expenditure determined by indirect calorimetry with that obtained with commonly used predictive equations in adults with cystic fibrosis and to assess the influence of clinical variables on the values obtained. We studied 21 patients with clinically stable cystic fibrosis, obtaining data on anthropometric variables, hand grip dynamometry, electrical bioimpedance, and resting energy expenditure by indirect calorimetry. We used the intraclass correlation coefficient (ICC) and the Bland-Altman method to assess agreement between the values obtained for resting energy expenditure measured by indirect calorimetry and those obtained with the World Health Organization (WHO) and Harris-Benedict prediction equations. The prediction equations underestimated resting energy expenditure in more than 90% of cases. The agreement between the value obtained by indirect calorimetry and that calculated with the prediction equations was poor (ICC for comparisons with the WHO and Harris-Benedict equations, 0.47 and 0.41, respectively). Bland-Altman analysis revealed a variable bias between the results of indirect calorimetry and those obtained with prediction equations, irrespective of the resting energy expenditure. The difference between the values measured by indirect calorimetry and those obtained with the WHO equation was significantly larger in patients homozygous for the DeltaF508 mutation and in those with exocrine pancreatic insufficiency. The WHO and Harris-Benedict prediction equations underestimate resting energy expenditure in adults with cystic fibrosis. There is poor agreement between the values for resting energy expenditure determined by indirect calorimetry and those estimated with prediction equations. Underestimation was greater in patients with exocrine pancreatic insufficiency and patients who were homozygous for DeltaF508.

TU-D-209-04: How Useful Are Indirect Dose Metrics for Estimating Peak Skin Dose in Interventional Cardiology?

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

Jones, A; Pasciak, A

Purpose: The purpose of this study was to determine if a relationship between indirect dose metrics and PSD could be established for fluoroscopically-guided interventional cardiology procedures. Methods: PSD were measured directly using XR-RV3 radiochromic film for 94 consecutive fluoroscopically guided interventional cardiology procedures performed at two sites. Procedures were both diagnostic and therapeutic in nature. Radiation dose structured reports (RDSR) were collected for each procedure and used to calculate indirect estimates of PSD which were compared to the measured PSD. Reference air kerma (Ka,r) was also compared to the measured PSD. Pearson’s correlation coefficient was calculated for each metric andmore » metrics were compared to measured PSD using a two-tailed t-test. Data were log transformed prior to statistical analysis. Results: Both Ka,r and the calculated PSD were closely correlated with measured PSD at each sites (Ka,r: 0.92 and 0.86, indirect PSD: 0.91 and 0.88). At one site, neither Ka,r nor indirect PSD was significantly different from the measured PSD (p = 0.22 and p=0.054, respectively), while at the second site both Ka,r and indirect PSD were significantly higher than measured PSD (p<0.0001 and p<0.0001, respectively). In almost all cases, both Ka,r and indirect PSD overestimated the true PSD. Conclusions: The use of a range of gantry angles and table positions, along with variation in procedural imaging requirements, limits the utility of indirect dose metrics for predicting PSD for interventional cardiology procedures. A. Kyle Jones and Alexander S. Pasciak are owners of Fluoroscopic Safety, LLC.« less

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.

Identifying Bearing Rotordynamic Coefficients using an Extended Kalman Filter

NASA Technical Reports Server (NTRS)

Miller, Brad A.; Howard, Samuel A.

2008-01-01

An Extended Kalman Filter is developed to estimate the linearized direct and indirect stiffness and damping force coefficients for bearings in rotor-dynamic applications from noisy measurements of the shaft displacement in response to imbalance and impact excitation. The bearing properties are modeled as stochastic random variables using a Gauss-Markov model. Noise terms are introduced into the system model to account for all of the estimation error, including modeling errors and uncertainties and the propagation of measurement errors into the parameter estimates. The system model contains two user-defined parameters that can be tuned to improve the filter s performance; these parameters correspond to the covariance of the system and measurement noise variables. The filter is also strongly influenced by the initial values of the states and the error covariance matrix. The filter is demonstrated using numerically simulated data for a rotor-bearing system with two identical bearings, which reduces the number of unknown linear dynamic coefficients to eight. The filter estimates for the direct damping coefficients and all four stiffness coefficients correlated well with actual values, whereas the estimates for the cross-coupled damping coefficients were the least accurate.

Bandgap tuning and enhancement of seebeck coefficient in one dimensional GeSe

NASA Astrophysics Data System (ADS)

Kagdada, Hardik L.; Dabhi, Shweta D.; Jha, Prafulla K.

2018-04-01

The first principles based density functional theory is used for tuning the electronic bandgap and thermoelectric properties of bulk, two dimensional (2D) and one dimensional (1D) GeSe. There is an increase in the bandgap going from bulk to 1D with indirect to direct bandgap transition. There is a dramatic change in Seebeck coefficient (S) for GeSe going from bulk to 1D at 300 K. The electrical conductivity and electronic thermal conductivity are lower for 1D GeSe compared to the bulk GeSe due to larger bandgap in the case of 1D GeSe.

Drive for muscularity and social physique anxiety mediate the perceived ideal physique muscle dysmorphia relationship.

PubMed

Thomas, Adam; Tod, David A; Edwards, Christian J; McGuigan, Michael R

2014-12-01

This study examined the mediating role of drive for muscularity and social physique anxiety (SPA) in the perceived muscular male ideal physique and muscle dysmorphia relationship in weight training men. Men (N = 146, mean ± SD; age, 22.8 ± 5.0 years; weight, 82.0 ± 11.1 kg; height, 1.80 ± 0.07 m; body mass index, 25.1 ± 3.0) who participated in weight training completed validated questionnaires measuring drive for muscularity, SPA, perceived muscular male ideal physique, global muscle dysmorphia, and several characteristics of muscle dysmorphia (exercise dependence, diet manipulation, concerns about size/symmetry, physique protection behavior, and supplementation). Perceived ideal physique was an independent predictor of muscle dysmorphia measures except physique protection (coefficients = 0.113-0.149, p ≤ 0.05). Perceived ideal physique also predicted muscle dysmorphia characteristics (except physique protection and diet) through the indirect drive for muscularity pathway (coefficients = 0.055-0.116, p ≤ 0.05). Perceived ideal physique also predicted size/symmetry concerns and physique protection through the indirect drive for muscularity and SPA pathway (coefficients = 0.080-0.025, p ≤ 0.05). These results extend current research by providing insights into the way correlates of muscle dysmorphia interact to predict the condition. The results also highlight signs (e.g., anxiety about muscularity) that strength and conditioning coaches can use to identify at-risk people who may benefit from being referred for psychological assistance.

Role of annealing temperatures on structure polymorphism, linear and nonlinear optical properties of nanostructure lead dioxide thin films

NASA Astrophysics Data System (ADS)

Zeyada, H. M.; Makhlouf, M. M.

2016-04-01

The powder of as synthesized lead dioxide (PbO2) has polycrystalline structure β-PbO2 phase of tetragonal crystal system. It becomes nanocrystallites α-PbO2 phase with orthorhombic crystal system upon thermal deposition to form thin films. Annealing temperatures increase nanocrystallites size from 28 to 46 nm. The optical properties of α-PbO2 phase were calculated from absolute values of transmittance and reflectance at nearly normal incidence of light by spectrophotometer measurements. The refractive and extinction indices were determined and showed a response to annealing temperatures. The absorption coefficient of α-PbO2 films is >106 cm-1 in UV region of spectra. Analysis of the absorption coefficient spectra near optical edge showed indirect allowed transition. Annealing temperature decreases the value of indirect energy gap for α-PbO2 films. The dispersion parameters such as single oscillator energy, dispersion energy, dielectric constant at high frequency and lattice dielectric constant were calculated and its variations with annealing temperatures are reported. The nonlinear refractive index (n2), third-order nonlinear susceptibility (χ(3)) and nonlinear absorption coefficient (βc) were determined. It was found that χ(3), n2 and β increase with increasing photon energy and decrease with increasing annealing temperature. The pristine film of α-PbO2 has higher values of nonlinear optical constants than for annealed films; therefore it is suitable for applications in manufacturing nonlinear optical devices.

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

Atomic Scale Imaging of Nucleation and Growth Trajectories of an Interfacial Bismuth Nanodroplet.

PubMed

Li, Yingxuan; Bunes, Benjamin R; Zang, Ling; Zhao, Jie; Li, Yan; Zhu, Yunqing; Wang, Chuanyi

2016-02-23

Because of the lack of experimental evidence, much confusion still exists on the nucleation and growth dynamics of a nanostructure, particularly of metal. The situation is even worse for nanodroplets because it is more difficult to induce the formation of a nanodroplet while imaging the dynamic process with atomic resolution. Here, taking advantage of an electron beam to induce the growth of Bi nanodroplets on a SrBi2Ta2O9 platelet under a high resolution transmission electron microscope (HRTEM), we directly observed the detailed growth pathways of Bi nanodroplets from the earliest stage of nucleation that were previously inaccessible. Atomic scale imaging reveals that the dynamics of nucleation involves a much more complex trajectory than previously predicted based on classical nucleation theory (CNT). The monatomic Bi layer was first formed in the nucleation process, which induced the formation of the prenucleated clusters. Following that, critical nuclei for the nanodroplets formed both directly from the addition of atoms to the prenucleated clusters by the classical growth process and indirectly through transformation of an intermediate liquid film based on the Stranski-Krastanov growth mode, in which the liquid film was induced by the self-assembly of the prenucleated clusters. Finally, the growth of the Bi nanodroplets advanced through the classical pathway and sudden droplet coalescence. This study allows us to visualize the critical steps in the nucleation process of an interfacial nanodroplet, which suggests a revision of the perspective of CNT.

Determination of stream reaeration coefficients by use of tracers

USGS Publications Warehouse

Kilpatrick, F.A.; Rathbun, R.E.; Yotsukura, Nobuhiro; Parker, G.W.; DeLong, L.L.

1989-01-01

Stream reaeration is the physical absorption of oxygen from the atmosphere by a flowing stream. This is the primary process by which a stream replenishes the oxygen consumed in the biodegradation of organic wastes. Prior to 1965, reaeration rate coefficients could be estimated only by indirect methods. In 1965, a direct method of measuring stream reaeration coefficients was developed whereby a radioactive tracer gas was injected into a stream-the principle being that the tracer gas would be desorbed from the stream inversely to how oxygen would be absorbed. The technique has since been modified by substituting hydrocarbon gases for the radioactive tracer gas. This manual describes the slug-injection and constant-rate-injection methods of measuring gas-tracer desorption. Emphasis is on the use of rhodamine WT dye as a relatively conservative tracer and propane as the nonconservative gas tracer, on planning field tests, on methods of injection, sampling, and analysis, and on techniques for computing desorption and reaeration coefficients.

Interfacial Strength and Physical Properties of Functionalized Graphene - Epoxy Nanocomposites

NASA Technical Reports Server (NTRS)

Miller, Sandi G.; Heimann, Paula; Scheiman, Daniel; Adamson, Douglas H.; Aksay, Iihan A.; Prud'homme, Robert K.

2006-01-01

The toughness and coefficient of thermal expansion of a series of functionalized graphene sheet - epoxy nanocomposites are investigated. Functionalized graphene sheets are produced by splitting graphite oxide into single graphene sheets through a rapid thermal expansion process. These graphene sheets contain approx. 10% oxygen due to the presence of hydroxide, epoxide, and carboxyl functional groups which assist in chemical bond formation with the epoxy matrix. Intrinsic surface functionality is used to graft alkyl amine chains on the graphene sheets, and the addition of excess hardener insures covalent bonding between the epoxide matrix and graphene sheets. Considerable improvement in the epoxy dimensional stability is obtained. An increase in nanocomposite toughness is observed in some cases.

Optical and interfacial electronic properties of diamond-like carbon films

NASA Technical Reports Server (NTRS)

Woollam, J. A.; Natarajan, V.; Lamb, J.; Khan, A. A.; Bu-Abbud, G.; Banks, B.; Pouch, J.; Gulino, D. A.; Domitz, S.; Liu, D. C.

1984-01-01

Hard, semitransparent carbon films were prepared on oriented polished crystal wafers of silicon, indium phosphide and gallium arsenide, as well as on KBr and quartz. Properties of the films were determined using IR and visible absorption spectrocopy, ellipsometry, conductance-capacitance spectroscopy and alpha particle-proton recoil spectroscopy. Preparation techniques include RF plasma decomposition of methane (and other hydrocarbons), ion beam sputtering, and dual-ion-beam sputter deposition. Optical energy band gaps as large as 2.7 eV and extinction coefficients lower than 0.1 at long wavelengths are found. Electronic state densities at the interface with silicon as low as 10 to the 10th states/eV sq cm per were found.

Similar solutions of double-diffusive dissipative layers along free surfaces

NASA Astrophysics Data System (ADS)

Napolitano, L. G.; Viviani, A.; Savino, R.

1990-10-01

Free convection due to buoyant forces (natural convection) and surface tension gradients (Marangoni convection) generated by temperature and concentration gradients is discussed together with the formation of double-diffusive boundary layers along liquid-gas interfaces. Similarity solutions for each class of free convection are derived and the resulting nonlinear two-point problems are solved numerically using the quasi-linearization method. Velocity, temperature, concentration profiles, interfacial velocity, heat and mass transfer bulk coefficients for various Prandtl and Schmidt numbers, and different values of the similarity parameters are determined. The convective flows are of particular interest because they are considered to influence the processes of crystal growth, both on earth and in a microgravity environment.

Finite element modeling of frictionally restrained composite interfaces

NASA Technical Reports Server (NTRS)

Ballarini, Roberto; Ahmed, Shamim

1989-01-01

The use of special interface finite elements to model frictional restraint in composite interfaces is described. These elements simulate Coulomb friction at the interface, and are incorporated into a standard finite element analysis of a two-dimensional isolated fiber pullout test. Various interfacial characteristics, such as the distribution of stresses at the interface, the extent of slip and delamination, load diffusion from fiber to matrix, and the amount of fiber extraction or depression are studied for different friction coefficients. The results are compared to those obtained analytically using a singular integral equation approach, and those obtained by assuming a constant interface shear strength. The usefulness of these elements in micromechanical modeling of fiber-reinforced composite materials is highlighted.

Insight into interfacial effect on effective physical properties of fibrous materials. I. The volume fraction of soft interfaces around anisotropic fibers.

PubMed

Xu, Wenxiang; Wang, Han; Niu, Yanze; Bai, Jingtao

2016-01-07

With advances in interfacial properties characterization technologies, the interfacial volume fraction is a feasible parameter for evaluating effective physical properties of materials. However, there is a need to determine the interfacial volume fraction around anisotropic fibers and a need to assess the influence of such the interfacial property on effective properties of fibrous materials. Either ways, the accurate prediction of interfacial volume fraction is required. Towards this end, we put forward both theoretical and numerical schemes to determine the interfacial volume fraction in fibrous materials, which are considered as a three-phase composite structure consisting of matrix, anisotropic hard spherocylinder fibers, and soft interfacial layers with a constant dimension coated on the surface of each fiber. The interfacial volume fraction actually represents the fraction of space not occupied by all hard fibers and matrix. The theoretical scheme that adopts statistical geometry and stereological theories is essentially an analytic continuation from spherical inclusions. By simulating such three-phase chopped fibrous materials, we numerically derive the interfacial volume fraction. The theoretical and numerical schemes provide a quantitative insight that the interfacial volume fraction depends strongly on the fiber geometries like fiber shape, geometric size factor, and fiber size distribution. As a critical interfacial property, the present contribution can be further drawn into assessing effective physical properties of fibrous materials, which will be demonstrated in another paper (Part II) of this series.

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.

Performance of PZT stacks under high-field electric cycling at various temperatures in heavy-duty diesel engine fuel injectors

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

Wang, Hong; Lin, Hua-Tay; Stafford, Mr Randy

2016-01-01

Testing and characterization of large prototype lead zirconate titanate (PZT) stacks present substantial technical challenges to electronic systems. The work in this study shows that an alternative approach can be pursued by using subunits extracted from prototype stacks. Piezoelectric and dielectric integrity was maintained even though the PZT plate specimens experienced an additional loading process involved with the extraction after factory poling. Extracted 10-layer plate specimens were studied by an electric cycle test under an electric field of 3.0/0.0 kV/mm, 100 Hz to 108 cycles, both at room temperature (22 C) and at 50 C. The elevated temperature had amore » defined impact on the fatigue of PZT stacks. About 48 and 28% reductions were observed in the piezoelectric and dielectric coefficients, respectively, after 108 cycles at 50 C, compared with reductions of 25 and 15% in the respective coefficients at 22 C. At the same time, the loss tangent varied to a limited extent. The evolution of PZT electrode interfacial layers or nearby dielectric layers should account for the difference in the fatigue rates of piezoelectric and dielectric coefficients. But the basic contribution to observed fatigue may result from the buildup of a bias field that finally suppressed the motion of the domain walls. Finally, monitoring of dielectric coefficients can be an effective tool for on-line lifetime prediction of PZT stacks in service if a failure criterion is defined properly.« less

Performance of PZT stacks under high-field electric cycling at various temperatures in heavy-duty diesel engine fuel injectors

NASA Astrophysics Data System (ADS)

Wang, Hong; Lee, Sung-Min; Lin, Hua-Tay; Stafford, Randy

2016-04-01

Testing and characterization of large prototype lead zirconate titanate (PZT) stacks present substantial technical challenges to electronic systems. The work in this study shows that an alternative approach can be pursued by using subunits extracted from prototype stacks. Piezoelectric and dielectric integrity was maintained even though the PZT plate specimens experienced an additional loading process involved with the extraction after factory poling. Extracted 10-layer plate specimens were studied by an electric cycle test under an electric field of 3.0/0.0 kV/mm, 100 Hz to 108 cycles, both at room temperature (22°C) and at 50°C. The elevated temperature had a defined impact on the fatigue of PZT stacks. About 48 and 28% reductions were observed in the piezoelectric and dielectric coefficients, respectively, after 108 cycles at 50°C, compared with reductions of 25 and 15% in the respective coefficients at 22°C. At the same time, the loss tangent varied to a limited extent. The evolution of PZT-electrode interfacial layers or nearby dielectric layers should account for the difference in the fatigue rates of piezoelectric and dielectric coefficients. But the basic contribution to observed fatigue may result from the buildup of a bias field that finally suppressed the motion of the domain walls. Finally, monitoring of dielectric coefficients can be an effective tool for on-line lifetime prediction of PZT stacks in service if a failure criterion is defined properly.

DIFFUSED SOLUTE-SOLVENT INTERFACE WITH POISSON-BOLTZMANN ELECTROSTATICS: FREE-ENERGY VARIATION AND SHARP-INTERFACE LIMIT.

PubMed

Li, B O; Liu, Yuan

A phase-field free-energy functional for the solvation of charged molecules (e.g., proteins) in aqueous solvent (i.e., water or salted water) is constructed. The functional consists of the solute volumetric and solute-solvent interfacial energies, the solute-solvent van der Waals interaction energy, and the continuum electrostatic free energy described by the Poisson-Boltzmann theory. All these are expressed in terms of phase fields that, for low free-energy conformations, are close to one value in the solute phase and another in the solvent phase. A key property of the model is that the phase-field interpolation of dielectric coefficient has the vanishing derivative at both solute and solvent phases. The first variation of such an effective free-energy functional is derived. Matched asymptotic analysis is carried out for the resulting relaxation dynamics of the diffused solute-solvent interface. It is shown that the sharp-interface limit is exactly the variational implicit-solvent model that has successfully captured capillary evaporation in hydrophobic confinement and corresponding multiple equilibrium states of underlying biomolecular systems as found in experiment and molecular dynamics simulations. Our phase-field approach and analysis can be used to possibly couple the description of interfacial fluctuations for efficient numerical computations of biomolecular interactions.

Reduction-oxidation Enabled Glass-ceramics to Stainless Steel Bonding Part I: screening of doping oxidants

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

Dai, Steve Xunhu

Lithium silicate-based glass-ceramics with high coefficients of thermal expansion, designed to form matched hermetic seals in 304L stainless steel housing, show little evidence of interfacial chemical bonding, despite extensive inter-diffusion at the glass-ceramic-stainless steel (GC-SS) interface. A series of glass-ceramic compositions modified with a variety of oxidants, AgO, FeO, NiO, PbO, SnO, CuO, CoO, MoO 3 and WO 3, are examined for the feasibility of forming bonding oxides through reduction-oxidation (redox) at the GC-SS interface. The oxidants were selected according to their Gibbs free energy to allow for oxidation of Cr/Mn/Si from stainless steel, and yet to prevent a reductionmore » of P2O5 in the glass-ceramic where the P 2O 5 is to form Li 3PO 4 nuclei for growth of high expansion crystalline SiO 2 phases. Other than the CuO and CoO modified glass-ceramics, bonding from interfacial redox reactions were not achieved in the modified glass-ceramics, either because of poor wetting on the stainless steel or a reduction of the oxidants at the surface of glass-ceramic specimens rather than the GC-SS interface.« less

Adhesion Upon Solidification and Detachment in the Melt Spinning of Metals

NASA Astrophysics Data System (ADS)

Altieri, Anthony L.; Steen, Paul H.

2014-12-01

In planar-flow melt spinning, liquid metal is rapidly solidified, against a heat-sink wheel, into thin ribbons which adhere to the substrate wheel. In the absence of a blade to mechanically scrape the ribbon off the wheel, it may wrap fully around and re-enter the solidification region, called `catastrophic' adhesion. Otherwise, detachment occurs part way around the wheel, called `natural' detachment. Natural detachment occurs through a release of thermo-elastic stress after sufficient cooling of the ribbon, according to prior studies. This note extends prior work by invoking a crack propagation view of natural detachment which, when combined with a simple model of the thermo-elastic stress build-up and ribbon cooling, yields an adhesion/detachment criterion characterized by an interfacial adhesion/fracture energy . For aluminum-silicon alloys frozen against a copper substrate, we report 60 N/m. The criterion can be used to predict detachment once a heat-transfer coefficient is known. We obtain this parameter from natural detachment experiments and then use it to predict catastrophic adhesion in a semi-empirical way. Our note puts a quantitative foundation underneath prior qualitative discussions in the literature. Alternatively, it demonstrates how the interfacial strength of adhesion, a property only of the pair of adhering materials, might be measured based on sticking distance experiments.

Surfactant enhanced recovery of tetrachloroethylene from a porous medium containing low permeability lenses. 2. Numerical simulation.

PubMed

Rathfelder, K M; Abriola, L M; Taylor, T P; Pennell, K D

2001-04-01

A numerical model of surfactant enhanced solubilization was developed and applied to the simulation of nonaqueous phase liquid recovery in two-dimensional heterogeneous laboratory sand tank systems. Model parameters were derived from independent, small-scale, batch and column experiments. These parameters included viscosity, density, solubilization capacity, surfactant sorption, interfacial tension, permeability, capillary retention functions, and interphase mass transfer correlations. Model predictive capability was assessed for the evaluation of the micellar solubilization of tetrachloroethylene (PCE) in the two-dimensional systems. Predicted effluent concentrations and mass recovery agreed reasonably well with measured values. Accurate prediction of enhanced solubilization behavior in the sand tanks was found to require the incorporation of pore-scale, system-dependent, interphase mass transfer limitations, including an explicit representation of specific interfacial contact area. Predicted effluent concentrations and mass recovery were also found to depend strongly upon the initial NAPL entrapment configuration. Numerical results collectively indicate that enhanced solubilization processes in heterogeneous, laboratory sand tank systems can be successfully simulated using independently measured soil parameters and column-measured mass transfer coefficients, provided that permeability and NAPL distributions are accurately known. This implies that the accuracy of model predictions at the field scale will be constrained by our ability to quantify soil heterogeneity and NAPL distribution.

Nucleation and growth in cluster dynamics: A quantitative test of the classical kinetic approach

NASA Astrophysics Data System (ADS)

Gránásy, László; James, Peter F.

2000-12-01

Nucleation and size dependent growth of nanometer sized crystalline particles in glassy media have been studied by numerically solving the Turnbull-Fisher master equations that describe the time evolution of cluster population. Time dependencies of the formation rate and number density are determined for large clusters (built of up to 2×105 formula units, containing 1.8×106 atoms). We demonstrate that the formation rate and number density of such clusters are well approximated by Shneidman's asymptotically exact analytical solution. A quantitative test of the kinetic Turnbull-Fisher model has been performed: Evaluating the kinetic coefficients and interfacial parameters from the transient time and steady-state nucleation rates measured on six stoichiometric oxide glass compositions (lithium-disilicate, barium-disilicate, lithium-diborate, wollastonite, 1:2:3 and 2:1:3 soda-lime-silica glass compositions), we calculated the macroscopic growth rates and compared with experiments. For wollastonite, lithium-diborate and the 1:2:3 soda-lime-silica glass, differences of 2 to 4 orders of magnitude have been observed between theory and experiment. This inadequacy of the microscopic kinetic parameters in describing macroscopic growth cannot be explained by either the curvature effect on the interfacial free energy or the self-consistency correction for the cluster free energy. The origin of the discrepancy is discussed.

The Distribution of the Product Explains Normal Theory Mediation Confidence Interval Estimation.

PubMed

Kisbu-Sakarya, Yasemin; MacKinnon, David P; Miočević, Milica

2014-05-01

The distribution of the product has several useful applications. One of these applications is its use to form confidence intervals for the indirect effect as the product of 2 regression coefficients. The purpose of this article is to investigate how the moments of the distribution of the product explain normal theory mediation confidence interval coverage and imbalance. Values of the critical ratio for each random variable are used to demonstrate how the moments of the distribution of the product change across values of the critical ratio observed in research studies. Results of the simulation study showed that as skewness in absolute value increases, coverage decreases. And as skewness in absolute value and kurtosis increases, imbalance increases. The difference between testing the significance of the indirect effect using the normal theory versus the asymmetric distribution of the product is further illustrated with a real data example. This article is the first study to show the direct link between the distribution of the product and indirect effect confidence intervals and clarifies the results of previous simulation studies by showing why normal theory confidence intervals for indirect effects are often less accurate than those obtained from the asymmetric distribution of the product or from resampling methods.

Measurement of peak discharge at dams by indirect methods

USGS Publications Warehouse

Hulsing, Harry

1967-01-01

This chapter describes procedures for measuring peak discharges using dams, weirs, and embankments. Field and office procedures limited to this method are described. Discharge coefficients and formulas are given for three general classes of weirs-sharp-crested, broad-crested, and round-crested-and for highway embankments and weirs of unusual shape. The effects of submergence are defined for most forms.

Accounting for the various contributions to pyroelectricity in lead zirconate titanate thin films

NASA Astrophysics Data System (ADS)

Hanrahan, B.; Espinal, Y.; Neville, C.; Rudy, R.; Rivas, M.; Smith, A.; Kesim, M. T.; Alpay, S. P.

2018-03-01

An understanding of the pyroelectric coefficient and particularly its relationship with the applied electric field is critical to predicting the device performance for infrared imaging, energy harvesting, and solid-state cooling devices. In this work, we compare direct measurements of the pyroelectric effect under pulsed heating to the indirect extraction of the pyroelectric coefficient from adiabatic hysteresis loops and predictions from Landau-Devonshire theory for PbZr0.52Ti0.48O3 (PZT 52/48) on platinized silicon substrates. The differences between these measurements are explained through a series of careful measurements that quantify the magnitude and direction of the secondary and field-induced pyroelectric effects. The indirect measurement is shown to be up to 25% of the direct measurement at high fields, while the direct measurements and theoretical predictions converge at high fields as the film approaches a mono-domain state. These measurements highlight the importance of directly measuring the pyroelectric response in thin films, where non-intrinsic effects can be a significant proportion of the total observed pyroelectricity. Material and operating conditions are also discussed which could simultaneously maximize all contributions to pyroelectricity.

How important are direct fitness benefits of sexual selection?

NASA Astrophysics Data System (ADS)

Møller, A. P.; Jennions, M. D.

2001-10-01

Females may choose mates based on the expression of secondary sexual characters that signal direct, material fitness benefits or indirect, genetic fitness benefits. Genetic benefits are acquired in the generation subsequent to that in which mate choice is performed, and the maintenance of genetic variation in viability has been considered a theoretical problem. Consequently, the magnitude of indirect benefits has traditionally been considered to be small. Direct fitness benefits can be maintained without consideration of mechanisms sustaining genetic variability, and they have thus been equated with the default benefits acquired by choosy females. There is, however, still debate as to whether or not males should honestly advertise direct benefits such as their willingness to invest in parental care. We use meta-analysis to estimate the magnitude of direct fitness benefits in terms of fertility, fecundity and two measures of paternal care (feeding rate in birds, hatching rate in male guarding ectotherms) based on an extensive literature survey. The mean coefficients of determination weighted by sample size were 6.3%, 2.3%, 1.3% and 23.6%, respectively. This compares to a mean weighted coefficient of determination of 1.5% for genetic viability benefits in studies of sexual selection. Thus, for several fitness components, direct benefits are only slightly more important than indirect ones arising from female choice. Hatching rate in male guarding ectotherms was by far the most important direct fitness component, explaining almost a quarter of the variance. Our analysis also shows that male sexual advertisements do not always reliably signal direct fitness benefits.

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.

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.

Prediction on electronic structure of CH3NH3PbI3/Fe3O4 interfaces

NASA Astrophysics Data System (ADS)

Hou, Xueyao; Wang, Xiaocha; Mi, Wenbo; Du, Zunfeng

2018-01-01

The interfacial electronic structures of CH3NH3PbI3(MAPbI3)/Fe3O4 heterostructures are predicted by density functional theory. Four models (MAI/FeBO, PbI2/FeBO, MAI/FeA and PbI2/FeA) are included. Especially, a half-metal to semiconductor transition of Fe3O4 appears in PbI2/FeA model. A series of electric field is added to PbI2/FeA model, and a direct-indirect bandgap transition of Fe3O4 appears at a 500-kV/cm field. The electric field can control the bandgap of Fe3O4 in PbI2/FeA model by modulating the hybridization. The prediction of spin-related bandgap characteristic in MAPbI3/Fe3O4 is meaningful for further study.

Dividing phases in two-phase flow and modeling of interfacial drag

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

Narumo, T.; Rajamaeki, M.

1997-07-01

Different models intended to describe one-dimensional two-phase flow are considered in this paper. The following models are introduced: conventional six-equation model, conventional model equipped with terms taking into account nonuniform transverse velocity distribution of the phases, several virtual mass models and a model in which the momentum equations have been derived by using the principles of Separation of the Flow According to Velocity (SFAV). The dynamics of the models have been tested by comparing their characteristic velocities to each other and against experimental data. The results show that the SFAV-model makes a hyperbolic system and predicts the propagation velocities ofmore » disturbances with the same order of accuracy as the best tested virtual mass models. Furthermore, the momentum interaction terms for the SFAV-model are considered. These consist of the wall friction terms and the interfacial friction term. The authors model wall friction with two independent terms describing the effect of each fluid on the wall separately. In the steady state, a relationship between the slip velocity and friction coefficients can be derived. Hence, the friction coefficients for the SFAV-model can be calculated from existing correlations, viz. from a drift-flux correlation and a wall friction correlation. The friction model was tested by searching steady-state distributions in a partial BWR fuel channel and comparing the relaxed values with the drift-flux correlation, which agreed very well with each other. In addition, response of the flow to a sine-wave disturbance in the water inlet flux was calculated as function of frequency. The results of the models differed from each other already with frequency of order 5 Hz, while the time constant for the relaxation, obtained from steady-state distribution calculation, would have implied significant differences appear not until with frequency of order 50 Hz.« less

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.

18O-tracer diffusion along nanoscaled Sc2O3/yttria stabilized zirconia (YSZ) multilayers: on the influence of strain.

PubMed

Aydin, Halit; Korte, Carsten; Janek, Jürgen

2013-06-01

The oxygen tracer diffusion coefficient describing transport along nano-/microscaled YSZ/Sc 2 O 3 multilayers as a function of the thick-ness of the ion-conducting YSZ layers has been measured by isotope exchange depth profiling (IEDP), using secondary ion mass spec-trometry (SIMS). The multilayer samples were prepared by pulsed laser deposition (PLD) on (0001) Al 2 O 3 single crystalline substrates. The values for the oxygen tracer diffusion coefficient were analyzed as a combination of contributions from bulk and interface contributions and compared with results from YSZ/Y 2 O 3 -multilayers with similar microstructure. Using the Nernst-Einstein equation as the relation between diffusivity and electrical conductivity we find very good agreement between conductivity and diffusion data, and we exclude substantial electronic conductivity in the multilayers. The effect of hetero-interface transport can be well explained by a simple interface strain model. As the multilayer samples consist of columnar film crystallites with a defined inter-face structure and texture, we also discuss the influence of this particular microstructure on the interfacial strain.

Experience in using a numerical scheme with artificial viscosity at solving the Riemann problem for a multi-fluid model of multiphase flow

NASA Astrophysics Data System (ADS)

Bulovich, S. V.; Smirnov, E. M.

2018-05-01

The paper covers application of the artificial viscosity technique to numerical simulation of unsteady one-dimensional multiphase compressible flows on the base of the multi-fluid approach. The system of the governing equations is written under assumption of the pressure equilibrium between the "fluids" (phases). No interfacial exchange is taken into account. A model for evaluation of the artificial viscosity coefficient that (i) assumes identity of this coefficient for all interpenetrating phases and (ii) uses the multiphase-mixture Wood equation for evaluation of a scale speed of sound has been suggested. Performance of the artificial viscosity technique has been evaluated via numerical solution of a model problem of pressure discontinuity breakdown in a three-fluid medium. It has been shown that a relatively simple numerical scheme, explicit and first-order, combined with the suggested artificial viscosity model, predicts a physically correct behavior of the moving shock and expansion waves, and a subsequent refinement of the computational grid results in a monotonic approaching to an asymptotic time-dependent solution, without non-physical oscillations.

Temperature-dependent tensile and shear response of graphite/aluminum

NASA Technical Reports Server (NTRS)

Fujita, T.; Pindera, M. J.; Herakovich, C. T.

1987-01-01

The thermo-mechanical response of unidirectional P100 graphite fiber/6061 aluminum matrix composites was investigated at four temperatures:-150, +75, +250, and +500 F. Two types of tests, off-axis tension and losipescu shear, were used to obtain the desired properties. Good experimental-theoretical correlation was obtained for Exx, vxy, and G12. It is shown that E11 is temperature independent, but E22, v12, and G12 generally decrease with increasing temperature. Compared with rather high longitudinal strength, very low transverse strength was obtained for the graphite/aluminum. The poor transverse strength is believed to be due to the low interfacial bond strength in this material. The strength decrease significantly with increasing temperature. The tensile response at various temperatures is greatly affected by the residual stresses caused by the mismatch in the coefficients of thermal expansion of fibers and matrix. The degradation of the aluminum matrix properties at higher temperatures has a deleterious effect on composite properties. The composite has a very low coefficient of thermal expansion in the fiber direction.

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.

Ab initio study of II-(VI)2 dichalcogenides.

PubMed

Olsson, P; Vidal, J; Lincot, D

2011-10-12

The structural stabilities of the (Zn,Cd)(S,Se,Te)(2) dichalcogenides have been determined ab initio. These compounds are shown to be stable in the pyrite phase, in agreement with available experiments. Structural parameters for the ZnTe(2) pyrite semiconductor compound proposed here are presented. The opto-electronic properties of these dichalcogenide compounds have been calculated using quasiparticle GW theory. Bandgaps, band structures and effective masses are proposed as well as absorption coefficients and refraction indices. The compounds are all indirect semiconductors with very flat conduction band dispersion and high absorption coefficients. The work functions and surface properties are predicted. The Te and Se based compounds could be of interest as absorber materials in photovoltaic applications.

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.

The radiation hypersensitivity of cells at mitosis.

PubMed

Stobbe, C C; Park, S J; Chapman, J D

2002-12-01

Mitotic cells are hypersensitive to ionizing radiation, exhibiting single-hit inactivation coefficients near to those of repair deficient cell lines and lymphocytes. To elucidate possible mechanisms for this hypersensitivity, the kinetics of oxygen radiosensitization, the proportion of indirect effect by OH radicals and the kinetics of radiation-induced DNA strand breakage in the chromatin of mitotic cells were investigated. Synchronized populations of >90% mitotic HT-29 cells were obtained by the mitotic shake-off method. Cells were irradiated at < or =4 degrees C with (137)Cs gamma-rays. Cellular oxygen concentration was varied by gassing cell suspensions prior to and during irradiation with mixtures of pure N(2) that contained 5% CO(2) and measured quantities of O(2). The indirect effect of OH radicals was investigated with the radical scavenger, DMSO. DNA strand breakage was measured by the comet assay. Mitotic HT-29 cell inactivation is well described by a single-hit inactivation coefficient (alpha) of 1.14 +/- 0.06 Gy(-1). The oxygen enhancement ratio of mitotic cells (at 10% survival) was found to be approximately 2.0, significantly lower than the value of 2.8 measured for interphase (asynchronous) cells. More than 60% of mitotic cell killing was eliminated when the media contained 2 M DMSO, indicating that indirect effect is as important in the killing of mitotic cells as it is for interphase cells. The chromatin in mitotic cells was found to be ~2.8 times more sensitive to radiation-induced DNA single-strand breakage than the chromatin of interphase cells. The alpha-inactivation coefficient of mitotic HT-29 cells was ~30 times larger than that of interphase cells. Mitotic cell chromatin appears to contain intrinsic DNA breaks that are not lethal. In addition, chromatin in mitotic cells was found to be more susceptible to radiation-induced DNA strand-breakage than the dispersed chromatin of interphase cells. How the enhanced production of these simple DNA lesions (that are usually reparable) translates into the lethal (non-reparable) events associated with alpha-inactivation is not known. The compaction/dispersion status of DNA throughout the cell cycle appears to be an important factor for determining intrinsic cell radiosensitivity and might be manipulated for radiotherapeutic advantage.

Selection of Drought Tolerant Maize Hybrids Using Path Coefficient Analysis and Selection Index.

PubMed

Dao, Abdalla; Sanou, Jacob; V S Traore, Edgar; Gracen, Vernon; Danquah, Eric Y

2017-01-01

In drought-prone environments, direct selection for yield is not adequate because of the variable environment and genotype x environment interaction. Therefore, the use of secondary traits in addition to yield has been suggested. The relative usefulness of secondary traits as indirect selection criteria for maize grain yield is determined by the magnitudes of their genetic variance, heritability and genetic correlation with the grain yield. Forty eight testcross hybrids derived from lines with different genetic background and geographical origins plus 7 checks were evaluated in both well-watered and water-stressed conditions over two years for grain yield and secondary traits to determine the most appropriate secondary traits and select drought tolerant hybrids. Study found that broad-sense heritability of grain yield and Ear Per Plant (EPP) increased under drought stress. Ear aspect (EASP) and ear height (EHT) had larger correlation coefficients and direct effect on grain yield but in opposite direction, negative and positive respectively. Traits like, EPP, Tassel Size (TS) and Plant Recovery (PR) contributed to increase yield via EASP by a large negative indirect effect. Under drought stress, EHT had positive and high direct effect and negative indirect effect via plant height on grain yield indicating that the ratio between ear and plant heights (R-EPH) was associated to grain yield. Path coefficient analysis showed that traits EPP, TS, PR, EASP, R-EPH were important secondary traits in the present experiment. These traits were used in a selection index to classify hybrids according to their performance under drought. The selection procedure included also a Relative Decrease in Yield (RDY) index. Some secondary traits reported as significant selection criteria for selection under drought stress were not finally established in the present study. This is because the relationship between grain and secondary traits can be affected by various factors including germplasm, environment and applied statistical analysis. Therefore, different traits and selection procedure should be applied in the selection process of drought tolerant genotypes for diverse genetic materials and growing conditions.

Determination of UV-visible-NIR absorption coefficient of graphite bulk using direct and indirect methods

NASA Astrophysics Data System (ADS)

Smausz, T.; Kondász, B.; Gera, T.; Ajtai, T.; Utry, N.; Pintér, M.; Kiss-Albert, G.; Budai, J.; Bozóki, Z.; Szabó, G.; Hopp, B.

2017-10-01

Absorption coefficient of graphite bulk pressed from 1 to 5 μm-sized crystalline grains was measured in UV-Vis-NIR range with three different methods: (i) determination of pulsed laser ablation rate as the function of laser fluence for different wavelengths (248, 337, 532, and 1064 nm, respectively); (ii) production of aerosol particles by UV laser ablation of the bulk graphite in inert atmosphere and determination of the mass-specific absorption coefficient with a four-wavelength (266, 355, 532, and 1064 nm, respectively) photoacoustic spectrometer, and (iii) spectroscopic ellipsometry in 250-1000 nm range. Taking into account the wide range of the absorption coefficients of different carbon structures, an overall relatively good agreement was observed for the three methods. The ellipsometric results fit well with the ablation rate measurement, and the data obtained with photoacoustic method are also similar in the UV and NIR region; however, the values were somewhat higher in visible and near-UV range. Taking into account the limitations of the methods, they can be promising candidates for the determination of absorption coefficient when the samples are strongly scattering and there is no possibility to perform transmissivity measurements.

A New Methodology of Spatial Cross-Correlation Analysis

PubMed Central

Chen, Yanguang

2015-01-01

Spatial correlation modeling comprises both spatial autocorrelation and spatial cross-correlation processes. The spatial autocorrelation theory has been well-developed. It is necessary to advance the method of spatial cross-correlation analysis to supplement the autocorrelation analysis. This paper presents a set of models and analytical procedures for spatial cross-correlation analysis. By analogy with Moran’s index newly expressed in a spatial quadratic form, a theoretical framework is derived for geographical cross-correlation modeling. First, two sets of spatial cross-correlation coefficients are defined, including a global spatial cross-correlation coefficient and local spatial cross-correlation coefficients. Second, a pair of scatterplots of spatial cross-correlation is proposed, and the plots can be used to visually reveal the causality behind spatial systems. Based on the global cross-correlation coefficient, Pearson’s correlation coefficient can be decomposed into two parts: direct correlation (partial correlation) and indirect correlation (spatial cross-correlation). As an example, the methodology is applied to the relationships between China’s urbanization and economic development to illustrate how to model spatial cross-correlation phenomena. This study is an introduction to developing the theory of spatial cross-correlation, and future geographical spatial analysis might benefit from these models and indexes. PMID:25993120

A new methodology of spatial cross-correlation analysis.

PubMed

Chen, Yanguang

2015-01-01

Spatial correlation modeling comprises both spatial autocorrelation and spatial cross-correlation processes. The spatial autocorrelation theory has been well-developed. It is necessary to advance the method of spatial cross-correlation analysis to supplement the autocorrelation analysis. This paper presents a set of models and analytical procedures for spatial cross-correlation analysis. By analogy with Moran's index newly expressed in a spatial quadratic form, a theoretical framework is derived for geographical cross-correlation modeling. First, two sets of spatial cross-correlation coefficients are defined, including a global spatial cross-correlation coefficient and local spatial cross-correlation coefficients. Second, a pair of scatterplots of spatial cross-correlation is proposed, and the plots can be used to visually reveal the causality behind spatial systems. Based on the global cross-correlation coefficient, Pearson's correlation coefficient can be decomposed into two parts: direct correlation (partial correlation) and indirect correlation (spatial cross-correlation). As an example, the methodology is applied to the relationships between China's urbanization and economic development to illustrate how to model spatial cross-correlation phenomena. This study is an introduction to developing the theory of spatial cross-correlation, and future geographical spatial analysis might benefit from these models and indexes.

Controls of ionic strength and macromolecule chemistry on calcite nucleation: Salinity and ion hydration as levers for regulating biomineralization

NASA Astrophysics Data System (ADS)

Dove, P. M.; Giuffre, A. J.; Mergelsberg, S. T.; Han, N.; De Yoreo, J. J.

2016-12-01

Organisms form shells and skeletons with remarkable fidelity by controlling the timing and placement of the minerals that nucleate and subsequently grow. An extensive effort has identified features of the organic matrix that regulate this process. Recent measurements from our group show the energy barrier to nucleation onto polysaccharide (PS) substrates is dependent upon hydrophilicity through functional group chemistry and suggest that free energy of the macromolecule-liquid interface influences where and when mineral nucleation occurs (Giuffre et al., 2013, PNAS). The importance of interfacial free energy in regulating nucleation raises the question of whether local changes in salinity or electrolyte composition can be tuned to further modulate the onset of calcite nucleation. Using alginate (negatively charged by carboxyl groups) and chitosan (small positive charge by amine groups), the rate of calcite nucleation was measured at controlled supersaturations and pH as a function of NaCl concentration (65-600 mM). Analyses of the data show the thermodynamic barrier to calcite nucleation onto both types of PS increases with ionic strength. The evidence suggests this effect arises from an increasing concentration of solvated ions at the PS-water interface while also increasing the hydrophilic character of that interface; thus decreasing the substrate-liquid interfacial free energy. To test this explanation, a second group of nucleation experiments used a suite of electrolytes (alkali chlorides for alginate and sodium halides for chitosan) while holding ionic strength constant. Indeed, the nucleation barriers for calcite formation are electrolyte-specific and correlated with the hydration free energy of the ion. This suggests solvated electrolyte ions indirectly regulate calcite nucleation onto substrates through their competition with the substrate for water thereby influencing net interfacial free energy. These effects are consistent with the long-established salting-in phenomena of the Hofmeister series. The new insights from this experimental study reiterate the importance of electrolytes in reactions involving mineral-water interfaces and suggest a role for seemingly inert `spectator' ions in regulating the local timing and placement of minerals during biomineralization.

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.

Molecular Dynamics Simulation of the Structure and Ion Transport in the Ce1 - x Gd x O2 - δ|YSZ Heterosystem

NASA Astrophysics Data System (ADS)

Galin, M. Z.; Ivanov-Schitz, A. K.; Mazo, G. N.

2018-01-01

Molecular dynamics simulation has been used to develop a realistic atomistic model of two-layer Ce1 - x Gd x O2 - δ|YSZ heterosystem. It is shown that Ce1 - x Gd x O2 - δ and YSZ layers (about 15 and 16 Å thick, respectively) retain their crystal structure on the whole. The main structural distortions are found to occur near the Ce1 - x Gd x O2 - δ|YSZ geometric interface, within a narrow interfacial region of few angstroms thick. Both the generalized diffusion characteristics of the system as a whole and the oxygen diffusion coefficients in the layers are calculated, and the diffusion activation energies are determined.

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.

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.

Interfacial effect on physical properties of composite media: Interfacial volume fraction with non-spherical hard-core-soft-shell-structured particles.

PubMed

Xu, Wenxiang; Duan, Qinglin; Ma, Huaifa; Chen, Wen; Chen, Huisu

2015-11-02

Interfaces are known to be crucial in a variety of fields and the interfacial volume fraction dramatically affects physical properties of composite media. However, it is an open problem with great significance how to determine the interfacial property in composite media with inclusions of complex geometry. By the stereological theory and the nearest-surface distribution functions, we first propose a theoretical framework to symmetrically present the interfacial volume fraction. In order to verify the interesting generalization, we simulate three-phase composite media by employing hard-core-soft-shell structures composed of hard mono-/polydisperse non-spherical particles, soft interfaces, and matrix. We numerically derive the interfacial volume fraction by a Monte Carlo integration scheme. With the theoretical and numerical results, we find that the interfacial volume fraction is strongly dependent on the so-called geometric size factor and sphericity characterizing the geometric shape in spite of anisotropic particle types. As a significant interfacial property, the present theoretical contribution can be further drawn into predicting the effective transport properties of composite materials.

Interfacial effect on physical properties of composite media: Interfacial volume fraction with non-spherical hard-core-soft-shell-structured particles

PubMed Central

Xu, Wenxiang; Duan, Qinglin; Ma, Huaifa; Chen, Wen; Chen, Huisu

2015-01-01

Interfaces are known to be crucial in a variety of fields and the interfacial volume fraction dramatically affects physical properties of composite media. However, it is an open problem with great significance how to determine the interfacial property in composite media with inclusions of complex geometry. By the stereological theory and the nearest-surface distribution functions, we first propose a theoretical framework to symmetrically present the interfacial volume fraction. In order to verify the interesting generalization, we simulate three-phase composite media by employing hard-core-soft-shell structures composed of hard mono-/polydisperse non-spherical particles, soft interfaces, and matrix. We numerically derive the interfacial volume fraction by a Monte Carlo integration scheme. With the theoretical and numerical results, we find that the interfacial volume fraction is strongly dependent on the so-called geometric size factor and sphericity characterizing the geometric shape in spite of anisotropic particle types. As a significant interfacial property, the present theoretical contribution can be further drawn into predicting the effective transport properties of composite materials. PMID:26522701

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

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

NASA Astrophysics Data System (ADS)

Wang, Guanyi

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

Lipid diffusion in the distal and proximal leaflets of supported lipid bilayer membranes studied by single particle tracking

NASA Astrophysics Data System (ADS)

Schoch, Rafael L.; Barel, Itay; Brown, Frank L. H.; Haran, Gilad

2018-03-01

Supported lipid bilayers (SLBs) have been studied extensively as simple but powerful models for cellular membranes. Yet, potential differences in the dynamics of the two leaflets of a SLB remain poorly understood. Here, using single particle tracking, we obtain a detailed picture of bilayer dynamics. We observe two clearly separate diffusing populations, fast and slow, that we associate with motion in the distal and proximal leaflets of the SLB, respectively, based on fluorescence quenching experiments. We estimate diffusion coefficients using standard techniques as well as a new method based on the blur of images due to motion. Fitting the observed diffusion coefficients to a two-leaflet membrane hydrodynamic model allows for the simultaneous determination of the intermonolayer friction coefficient and the substrate-membrane friction coefficient, without any prior assumptions on the strengths of the relevant interactions. Remarkably, our calculations suggest that the viscosity of the interfacial water confined between the membrane and the substrate is elevated by ˜104 as compared to bulk water. Using hidden Markov model analysis, we then obtain insight into the transbilayer movement of lipids. We find that lipid flip-flop dynamics are very fast, with half times in the range of seconds. Importantly, we find little evidence for membrane defect mediated lipid flip-flop for SLBs at temperatures well above the solid-to-liquid transition, though defects seem to be involved when the SLBs are cooled down. Our work thus shows that the combination of single particle tracking and advanced hydrodynamic modeling provides a powerful means to obtain insight into membrane dynamics.

Surface chemistry, friction, and wear of Ni-Zn and Mn-Zn ferrites in contact with metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1983-01-01

X-ray photoelectron and Auger electron spectroscopy analysis were used in sliding friction experiments. These experiments were conducted with hot-pressed polycrystalline Ni-Zn and Mn-Zn ferrites, and single-crystal Mn-Zn ferrite in contact with various transition metals at room temperature in both vacuum and argon. The results indicate that Ni2O3 and Fe3O4 were present on the Ni-Zn ferrite surface in addition to the nominal bulk constituents, while MnO2 and Fe3O4 were present on the Mn-Zn ferrite surface in addition to the nominal bulk constituents. The coefficients of friction for the ferrites in contact with metals were related to the relative chemical activity of these metals. The more active the metal, the higher is the coefficient of friction. The coefficients of friction for the ferrites were correlated with the free energy of formation of the lowest metal oxide. The interfacial bond can be regarded as a chemical bond between the metal atoms and the oxygen anions in the ferrite surfaces. The adsorption of oxygen on clean metal and ferrite does strengthen the metal-ferrite contact and increase the friction. The ferrites exhibit local cracking and fracture with sliding under adhesive conditions. All the metals transferred to the surfaces of the ferrites in sliding. Previously announced in STAR as N83-19901

Surface chemistry, friction and wear of Ni-Zn and Mn-Zn ferrites in contact with metals

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.

1982-01-01

X-ray photoelectron and Auger electron spectroscopy analysis were used in sliding friction experiments. These experiments were conducted with hot-pressed polycrystalline Ni-Zn and Mn-Zn ferrites, and single-crystal Mn-Zn ferrite in contact with various transition metals at room temperature in both vacuum and argon. The results indicate that Ni2O3 and Fe3O4 were present on the Ni-Zn ferrite surface in addition to the nominal bulk constituents, while MnO2 and Fe3O4 were present on the Mn-Zn ferrite surface in addition to the nominal bulk constituents. The coefficients of friction for the ferrites in contact with metals were related to the relative chemical activity of these metals. The more active the metal, the higher is the coefficient of friction. The coefficients of friction for the ferrites were correlated with the free energy of formation of the lowest metal oxide. The interfacial bond can be regarded as a chemical bond between the metal atoms and the oxygen anions in the ferrite surfaces. The adsorption of oxygen on clean metal and ferrite does strengthen the metal-ferrite contact and increase the friction. The ferrites exhibit local cracking and fracture with sliding under adhesive conditions. All the metals transferred to he surfaces of the ferrites in sliding.

Enzyme immunoassay for the detection of porcine gelatine in edible bird's nests.

PubMed

Tukiran, Nur Azira; Ismail, Amin; Mustafa, Shuhaimi; Hamid, Muhajir

2015-01-01

Porcine gelatine is a common adulterant found in edible bird's nests (EBNs) used to increase the net weight prior to sale. This study aimed to develop indirect enzyme-linked immunosorbent assays (ELISAs) for porcine gelatine adulteration using anti-peptide polyclonal antibodies. Three indirect ELISAs were developed (PAB1, 2 and 3), which had limits of detection (LODs) of 0.12, 0.10 and 0.11 µg g(-1), respectively. When applied to standard solutions of porcine gelatine, the inter- and intra-assays showed coefficients of variation (CVs) less than 20% and were able to detect at least 0.5 ng µg(-1) (0.05%) porcine gelatine in spiked samples. The proposed ELISA offers attractions for quality control in the EBN industry.

Assessing the aerosol direct and first indirect effects using ACM/GCM simulation results

NASA Astrophysics Data System (ADS)

Huang, H.; Gu, Y.; Xue, Y.; Lu, C. H.

2016-12-01

Atmospheric aerosols have been found to play an important role in global climate change but there are still large uncertainty in evaluating its role in the climate system. The aerosols generally affect global and regional climate through the scattering and the absorption of solar radiation (direct effect) and through their influences on cloud particle, number and sizes (first indirect effect). The indirect effect will further affects cloud water content, cloud top albedo and surface precipitations. In this study, we investigate the global climatic effect of aerosols using a coupled NCEP Global Forecast System (GFS) and a land surface model (SSiB2) The OPAC (Optical Properties of Aerosols and Clouds) database is used for aerosol effect. The OPAC data provides the optical properties (i.e., the extinction, scattering and absorption coefficient, single-scattering albedo, asymmetry factor and phase function) of ten types of aerosols under various relative humidity conditions for investigating the global direct and first indirect effects of dust aerosols. For indirect forcings due to liquid water, we follow the approach presented by Jiang et al (2011), in which a parameterization of cloud effective radius was calculated to describe its variance with convective strength and aerosol concentration. Since the oceans also play an important role on aerosol climatic effect, we also design a set of simulations using a coupled atmosphere/ocean model (CFS) to evaluate the sensitivity of aerosol effect with two-way atmosphere-ocean interactions.

Novel Measurements of Aerosol Particle Interfaces Using Biphasic Microfluidics

NASA Astrophysics Data System (ADS)

Metcalf, A. R.; Dutcher, C. S.

2014-12-01

Secondary organic aerosol (SOA) particles are nearly ubiquitous in the atmosphere and yet there remains 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. These aerosol interfaces can profoundly affect the fate of condensable organic compounds emitted into the atmosphere by altering the way in which organic vapors interact with the ambient aerosol. Aerosol interfaces affect particle internal structure, species uptake, equilibrium partitioning, activation to cloud condensation or ice nuclei, and optical properties. For example, organic thin films can shield the core of the aerosol from the ambient environment, which may disrupt equilibrium partitioning and mass transfer. To improve our ability to accurately predict the fate of SOA in the atmosphere, we must improve our knowledge of aerosol interfaces and their interactions with the ambient environment. Few technologies exist to accurately probe aerosol interfaces at atmospherically-relevant conditions. 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 tension, rheological properties such as interfacial moduli, and kinetic properties such as mass transfer coefficients can be measured or inferred. Chemical compositions of the liquid phases studied here span a range of viscosities and include electrolyte and water soluble organic acid species often observed in the atmosphere, such as mixtures containing ammonium salts (e.g., (NH4)2SO4, NH4NO3) and dicarboxylic acids (e.g., malonic, glutaric, and maleic acid) as well as important mimic compounds such as sucrose - water systems.

Comparison of different phase retrieval algorithms

NASA Astrophysics Data System (ADS)

Kaufmann, Rolf; Plamondon, Mathieu; Hofmann, Jürgen; Neels, Antonia

2017-09-01

X-ray phase contrast imaging is attracting more and more interest. Since the phase cannot be measured directly an indirect method using e.g. a grating interferometer has to be applied. This contribution compares three different approaches to calculate the phase from Talbot-Lau interferometer measurements using a phase-stepping approach. Besides the usually applied Fourier coefficient method also a linear fitting technique and Taylor series expansion method are applied and compared.

PIV-based estimation of unsteady loads on a flat plate at high angle of attack using momentum equation approaches

NASA Astrophysics Data System (ADS)

Guissart, Amandine; Bernal, Luis; Dimitriadis, Gregorios; Terrapon, Vincent

2015-11-01

The direct measurement of loads with force balance can become challenging when the forces are small or when the body is moving. An alternative is the use of Particle Image Velocimetry (PIV) velocity fields to indirectly obtain the aerodynamic coefficients. This can be done by the use of control volume approaches which lead to the integration of velocities, and other fields deriving from them, on a contour surrounding the studied body and its supporting surface. This work exposes and discusses results obtained with two different methods: the direct use of the integral formulation of the Navier-Stokes equations and the so-called Noca's method. The latter is a reformulation of the integral Navier-Stokes equations in order to get rid of the pressure. Results obtained using the two methods are compared and the influence of different parameters is discussed. The methods are applied to PIV data obtained from water channel testing for the flow around a 16:1 plate. Two cases are considered: a static plate at high angle of attack and a large amplitude imposed pitching motion. Two-dimensional PIV velocity fields are used to compute the aerodynamic forces. Direct measurements of dynamic loads are also carried out in order to assess the quality of the indirectly calculated coefficients.

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.

Neutron scattering study of the freezing of water near a cupric oxide surface

NASA Astrophysics Data System (ADS)

Torres, J.; Buck, Z. N.; Zhang, F. Z.; Chen, T.; Winholtz, R. A.; Kaiser, H.; Ma, H. B.; Taub, H.; Tyagi, M.

Oscillating heat pipes (OHP) offer promising two-phase heat transfer for a variety of applications, including cooling of electronic devices.2 Recently, it has been shown that a hydrophilic CuO coating on either the evaporator or condenser sections of a flat-plate OHP can significantly enhance its thermal performance.3 This finding has motivated us to assess the strength of the CuO/H2O interaction by investigating the freezing behavior of H2O in proximity to a CuO surface. Using the High-Flux Backscattering Spectrometer at NIST, we have measured the intensity of neutrons scattered elastically from a well-hydrated sample of CuO-coated Cu foils that mimic the oxide surfaces in a flat-plate OHP. We observe abrupt freezing of bulk-like H2O above the CuO surface at 270 K followed by continuous freezing of the interfacial H2O down to 265 K. This freezing behavior is qualitatively similar to that found for water near a zwitterionic single-supported bilayer lipid membrane.3 Further studies are planned to compare the diffusion coefficients of the interfacial water for the coated and uncoated OHPs.22F.Z. Zhang et al., submitted to J. Heat Transfer. 3M. Bai et al., Europhys. Lett. 98, 48006 (2012); Miskowiec et al., Europhys. Lett. 107, 28008 (2014). Supported by NSF Grant Nos. DMR-0944772 and DGE-1069091.

Colloidal Particle Adsorption at Water-Water Interfaces with Ultralow Interfacial Tension

NASA Astrophysics Data System (ADS)

Keal, Louis; Colosqui, Carlos E.; Tromp, R. Hans; Monteux, Cécile

2018-05-01

Using fluorescence confocal microscopy we study the adsorption of single latex microparticles at a water-water interface between demixing aqueous solutions of polymers, generally known as a water-in-water emulsion. Similar microparticles at the interface between molecular liquids have exhibited an extremely slow relaxation preventing the observation of expected equilibrium states. This phenomenon has been attributed to "long-lived" metastable states caused by significant energy barriers Δ F ˜γ Ad≫kBT induced by high interfacial tension (γ ˜10-2 N /m ) and nanoscale surface defects with characteristic areas Ad≃10 - 30 nm2 . For the studied water-water interface with ultralow surface tension (γ ˜10-4 N /m ) we are able to characterize the entire adsorption process and observe equilibrium states prescribed by a single equilibrium contact angle independent of the particle size. Notably, we observe crossovers from fast initial dynamics to slower kinetic regimes analytically predicted for large surface defects (Ad≃500 nm2). Moreover, particle trajectories reveal a position-independent damping coefficient that is unexpected given the large viscosity contrast between phases. These observations are attributed to the remarkably diffuse nature of the water-water interface and the adsorption and entanglement of polymer chains in the semidilute solutions. This work offers some first insights on the adsorption dynamics or kinetics of microparticles at water-water interfaces in biocolloidal systems.

Molecular dynamics simulations of n-hexane at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide interface

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

Lisal, Martin; Department of Physics, Faculty of Science, J. E. Purkinje University, 400 96 Usti n. Lab.; Izak, Pavel

Molecular dynamics simulations of n-hexane adsorbed onto the interface of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([bmim][Tf{sub 2}N]) are performed at three n-hexane surface densities, ranged from 0.7 to 2.3 {mu}mol/m{sup 2} at 300 K. For [bmim][Tf{sub 2}N] room-temperature ionic liquid, we use a non-polarizable all-atom force field with the partial atomic charges based on ab initio calculations for the isolated ion pair. The net charges of the ions are {+-}0.89e, which mimics the anion to cation charge transfer and polarization effects. The OPLS-AA force field is employed for modeling of n-hexane. The surface tension is computed using the mechanical route and itsmore » value decreases with increase of the n-hexane surface density. The [bmim][Tf{sub 2}N]/n-hexane interface is analyzed using the intrinsic method, and the structural and dynamic properties of the interfacial, sub-interfacial, and central layers are computed. We determine the surface roughness, global and intrinsic density profiles, and orientation ordering of the molecules to describe the structure of the interface. We further compute the survival probability, normal and lateral self-diffusion coefficients, and re-orientation correlation functions to elucidate the effects of n-hexane on dynamics of the cations and anions in the layers.« less

Molecular dynamics simulations of n-hexane at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide interface.

PubMed

Lísal, Martin; Izák, Pavel

2013-07-07

Molecular dynamics simulations of n-hexane adsorbed onto the interface of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([bmim][Tf2N]) are performed at three n-hexane surface densities, ranged from 0.7 to 2.3 μmol/m(2) at 300 K. For [bmim][Tf2N] room-temperature ionic liquid, we use a non-polarizable all-atom force field with the partial atomic charges based on ab initio calculations for the isolated ion pair. The net charges of the ions are ±0.89e, which mimics the anion to cation charge transfer and polarization effects. The OPLS-AA force field is employed for modeling of n-hexane. The surface tension is computed using the mechanical route and its value decreases with increase of the n-hexane surface density. The [bmim][Tf2N]/n-hexane interface is analyzed using the intrinsic method, and the structural and dynamic properties of the interfacial, sub-interfacial, and central layers are computed. We determine the surface roughness, global and intrinsic density profiles, and orientation ordering of the molecules to describe the structure of the interface. We further compute the survival probability, normal and lateral self-diffusion coefficients, and re-orientation correlation functions to elucidate the effects of n-hexane on dynamics of the cations and anions in the layers.

Mechanical, electrical, and thermal expansion properties of carbon nanotube-based silver and silver-palladium alloy composites

NASA Astrophysics Data System (ADS)

Pal, Hemant; Sharma, Vimal

2014-11-01

The mechanical, electrical, and thermal expansion properties of carbon nanotube (CNT)-based silver and silver-palladium (10:1, w/w) alloy nanocomposites are reported. To tailor the properties of silver, CNTs were incorporated into a silver matrix by a modified molecular level-mixing process. CNTs interact weakly with silver because of their non-reactive nature and lack of mutual solubility. Therefore, palladium was utilized as an alloying element to improve interfacial adhesion. Comparative microstructural characterizations and property evaluations of the nanocomposites were performed. The structural characterizations revealed that decorated type-CNTs were dispersed, embedded, and anchored into the silver matrix. The experimental results indicated that the modification of the silver and silver-palladium nanocomposite with CNT resulted in increases in the hardness and Young's modulus along with concomitant decreases in the electrical conductivity and the coefficient of thermal expansion (CTE). The hardness and Young's modulus of the nanocomposites were increased by 30%-40% whereas the CTE was decreased to 50%-60% of the CTE of silver. The significantly improved CTE and the mechanical properties of the CNT-reinforced silver and silver-palladium nanocomposites are correlated with the intriguing properties of CNTs and with good interfacial adhesion between the CNTs and silver as a result of the fabrication process and the contact action of palladium as an alloying element.

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.

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

Evaluation of fatigue life of CRM-reinforced SMA and its relationship to dynamic stiffness.

PubMed

Mashaan, Nuha Salim; Karim, Mohamed Rehan; Abdel Aziz, Mahrez; Ibrahim, Mohd Rasdan; Katman, Herda Yati; Koting, Suhana

2014-01-01

Fatigue cracking is an essential problem of asphalt concrete that contributes to pavement damage. Although stone matrix asphalt (SMA) has significantly provided resistance to rutting failure, its resistance to fatigue failure is yet to be fully addressed. The aim of this study is to evaluate the effect of crumb rubber modifier (CRM) on stiffness and fatigue properties of SMA mixtures at optimum binder content, using four different modification levels, namely, 6%, 8%, 10%, and 12% CRM by weight of the bitumen. The testing undertaken on the asphalt mix comprises the dynamic stiffness (indirect tensile test), dynamic creep (repeated load creep), and fatigue test (indirect tensile fatigue test) at temperature of 25°C. The indirect tensile fatigue test was conducted at three different stress levels (200, 300, and 400 kPa). Experimental results indicate that CRM-reinforced SMA mixtures exhibit significantly higher fatigue life compared to the mixtures without CRM. Further, higher correlation coefficient was obtained between the fatigue life and resilient modulus as compared to permanent strain; thus resilient modulus might be a more reliable indicator in evaluating the fatigue life of asphalt mixture.

Development of a sensitive and specific indirect enzyme-linked immunosorbent assay based on a baculovirus recombinant antigen for detection of specific antibodies against Ehrlichia canis.

PubMed

López, Lissett; Venteo, Angel; Aguirre, Enara; García, Marga; Rodríguez, Majosé; Amusátegui, Inmaculada; Tesouro, Miguel A; Vela, Carmen; Sainz, Angel; Rueda, Paloma

2007-11-01

An indirect enzyme-linked immunosorbent assay (ELISA) based on baculovirus recombinant P30 protein of Ehrlichia canis and the 1BH4 anticanine IgG monoclonal antibody was developed and evaluated by examining a panel of 98 positive and 157 negative sera using the indirect fluorescent antibody (IFA) test as the reference technique. The P30-based ELISA appeared to be sensitive and specific (77.55% and 95.54%, respectively) when qualitative results (positive/negative) were compared with those of the IFA test; the coefficient of correlation (R) between the 2 tests was 0.833. Furthermore, it was possible to establish a mathematical formula for use in comparing the results of both techniques. These results indicate that recombinant P30 antigen-based ELISA is a suitable alternative of the IFA test for simple, consistent, and rapid serodiagnosis of canine ehrlichiosis. Moreover, the use of this recombinant protein as antigen offers a great advantage for antigen preparation in comparison with other techniques in which the whole E. canis organism is used as antigen.

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.

A comparison of direct and indirect analytical approaches to measuring total nicotine equivalents in urine.

PubMed

Taghavi, Taraneh; Novalen, Maria; Lerman, Caryn; George, Tony P; Tyndale, Rachel F

2018-05-31

Total nicotine equivalents (TNE), the sum of nicotine and metabolites in urine, is a valuable tool for evaluating nicotine exposure. Most methods for measuring TNE involve two-step enzymatic hydrolysis for indirect quantification of glucuronide metabolites. Here, we describe a rapid, low-cost direct liquid chromatography - tandem mass spectrometry (LCMS) assay. In 139 smokers' urine samples, Bland-Altman, correlation, and regression analyses were used to investigate differences in quantification of nicotine and metabolites, TNE, and nicotine metabolite ratio (NMR) between direct and indirect LCMS methods. DNA from a subset (n=97 smokers) was genotyped for UGT2B10*2 and UGT2B17*2 and the known impact of these variants was evaluated using urinary ratios determined by the direct versus indirect method. The direct method showed high accuracy (0-9% bias) and precision (3-14% coefficient of variation) with similar distribution of nicotine metabolites to literary estimates and good agreement between the direct and indirect methods for nicotine, cotinine, and 3-hydroxycotinine (ratios 0.99-1.07), but less agreement for their respective glucuronides (ratios 1.16-4.17). The direct method identified urinary 3HC+3HC-GLUC/COT as having the highest concordance with plasma NMR and provided substantially better estimations of the established genetic impact of glucuronidation variants compared to the indirect method. Direct quantification of nicotine and metabolites is less time-consuming and less costly, and provides accurate estimates of nicotine intake, metabolism rate and the impact of genetic variation in smokers. Lower cost and maintenance combined with high accuracy and reproducibility make the direct method ideal for smoking biomarker, NMR and pharmacogenomics studies. Copyright ©2018, American Association for Cancer Research.

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.

Low dimensional model of heart rhythm dynamics as a tool for diagnosing the anaerobic threshold

NASA Astrophysics Data System (ADS)

Anosov, O. L.; Butkovskii, O. Ya.; Kadtke, J.; Kravtsov, Yu. A.; Protopopescu, V.

1997-05-01

We report preliminary results on describing the dependence of the heart rhythm variability on the stress level by using qualitative, low dimensional models. The reconstruction of macroscopic heart models yielding cardio cycles (RR-intervals) duration was based on actual clinical data. Our results show that the coefficients of the low dimensional models are sensitive to metabolic changes. In particular, at the transition between aerobic and aerobic-anaerobic metabolism, there are pronounced extrema in the functional dependence of the coefficients on the stress level. This strong sensitivity can be used to design an easy indirect method for determining the anaerobic threshold. This method could replace costly and invasive traditional methods such as gas analysis and blood tests.

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.

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

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.

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.

Preliminary Design of an Autonomous Underwater Vehicle Using Multi-Objective Optimization

DTIC Science & Technology

2014-03-01

fuel cell PC propulsive coefficient PEMFC proton exchange membrane fuel cell PHP propulsive horsepower PO Pareto optimal PSO particle swarm...membrane fuel cell ( PEMFC ), molten carbonate fuel cell (MCFC), solid oxide fuel cell (SOFC) and direct and indirect methanol fuel cell (DMFC). Figure...of fuel cells in depth, I will note that PEMFCs are smaller and have a lower operating temperature compared to the other types. Those are the main

Measurement of Rapid Protein Diffusion in the Cytoplasm by Photo-Converted Intensity Profile Expansion.

PubMed

Gura Sadovsky, Rotem; Brielle, Shlomi; Kaganovich, Daniel; England, Jeremy L

2017-03-14

The fluorescence microscopy methods presently used to characterize protein motion in cells infer protein motion from indirect observables, rather than measuring protein motion directly. Operationalizing these methods requires expertise that can constitute a barrier to their broad utilization. Here, we have developed PIPE (photo-converted intensity profile expansion) to directly measure the motion of tagged proteins and quantify it using an effective diffusion coefficient. PIPE works by pulsing photo-convertible fluorescent proteins, generating a peaked fluorescence signal at the pulsed region, and analyzing the spatial expansion of the signal. We demonstrate PIPE's success in measuring accurate diffusion coefficients in silico and in vitro and compare effective diffusion coefficients of native cellular proteins and free fluorophores in vivo. We apply PIPE to measure diffusion anomality in the cell and use it to distinguish free fluorophores from native cellular proteins. PIPE's direct measurement and ease of use make it appealing for cell biologists. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

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.

Malaria's indirect contribution to all-cause mortality in the Andaman Islands during the colonial era.

PubMed

Shanks, G Dennis; Hay, Simon I; Bradley, David J

2008-09-01

Malaria has a substantial secondary effect on other causes of mortality. From the 19th century, malaria epidemics in the Andaman Islands' penal colony were initiated by the brackish swamp-breeding malaria vector Anopheles sundaicus and fuelled by the importation of new prisoners. Malaria was a major determinant of the highly variable all-cause mortality rate (correlation coefficient r(2)=0.60, n=68, p<0.0001) from 1872 to 1939. Directly attributed malaria mortality based on post-mortem examinations rarely exceeded one-fifth of total mortality. Infectious diseases such as pneumonia, tuberculosis, dysentery, and diarrhoea, which combined with malaria made up the majority of all-cause mortality, were positively correlated with malaria incidence over several decades. Deaths secondary to malaria (indirect malaria mortality) were at least as great as mortality directly attributed to malaria infections.

Fracture and Friction

NASA Astrophysics Data System (ADS)

Gerde, Eric; Marder, Michael

2001-03-01

We present an atomic scale description of a self-healing crack steadily traveling along a compressed interface between dissimilar solids. The motion is similar to the wrinkle-like Weertman pulse observed by Anooshehpoor in recent foam-rubber sliding experiments. In contrast to the theoretical models of Weertman and Adams, and the numerical calculations of Andrews and Ben-Zion, we do not employ a frictional constitutive law on the interface. Yet the restrictive conditions under which these cracks can propagate make the interface appear to have a static coefficient of friction. By analytically linking atomic and continuum fields, we are able to efficiently and exhaustively explore the conditions under which self-healing cracks can propagate. To a good approximation, they are sustainable only when the interfacial shear stresses are 0.4 times the compressive stresses.

Estimation hydrophilic-lipophilic balance number of surfactants

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

Pawignya, Harsa, E-mail: harsa-paw@yahoo.co.id; Chemical Engineering Departement University of Pembangunan Nasional Yogyakarta; Prasetyaningrum, Aji, E-mail: ajiprasetyaningrum@gmail.com

Any type of surfactant has a hydrophilic-lipophilic balance number (HLB number) of different. There are several methods for determining the HLB number, with ohysical properties of surfactant (solubility cloud point and interfacial tension), CMC methods and by thermodynamics properties (Free energy Gibbs). This paper proposes to determined HLB numbers from interfelation methods. The result of study indicated that the CMC method described by Hair and Moulik espesially for nonionic surfactant. The application of exess Gibbs free energy and by implication activity coefficient provides the ability to predict the behavior of surfactants in multi component mixtures of different concentration. Determination ofmore » HLB number by solubility and cloud point parameter is spesific for anionic and nonionic surfactant but this methods not available for cationic surfactants.« less

Thickness and temperature dependent electrical characteristics of crystalline BaxSr1-xTiO3 thin films

NASA Astrophysics Data System (ADS)

Panda, B.; Roy, A.; Dhar, A.; Ray, S. K.

2007-03-01

Polycrystalline Ba1-xSrxTiO3 (BST) thin films with three different compositions have been deposited by radio-frequency magnetron sputtering technique on platinum coated silicon substrates. Samples with buffer and barrier layers for different film thicknesses and processing temperatures have been studied. Crystallite size of BST films has been found to increase with increasing substrate temperature. Thickness dependent dielectric constant has been studied and discussed in the light of an interfacial dead layer and the finite screening length of the electrode. Ferroelectric properties of the films have also been studied for various deposition conditions. The electrical resistivity of the films measured at different temperatures shows a positive temperature coefficient of resistance under a constant bias voltage.

Computational and Experimental Studies of Microstructure-Scale Porosity in Metallic Fuels for Improved Gas Swelling Behavior

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

Mllett, Paul; McDeavitt, Sean; Deo, Chaitanya

This proposal will investigate the stability of bimodal pore size distributions in metallic uranium and uranium-zirconium alloys during sintering and re-sintering annealing treatments. The project will utilize both computational and experimental approaches. The computational approach includes both Molecular Dynamics simulations to determine the self-diffusion coefficients in pure U and U-Zr alloys in single crystals, grain boundaries, and free surfaces, as well as calculations of grain boundary and free surface interfacial energies. Phase-field simulations using MOOSE will be conducted to study pore and grain structure evolution in microstructures with bimodal pore size distributions. Experiments will also be performed to validate themore » simulations, and measure the time-dependent densification of bimodal porous compacts.« less

Evaluation of Ca3Co2O6 as cathode material for high-performance solid-oxide fuel cell

PubMed Central

Wei, Tao; Huang, Yun-Hui; Zeng, Rui; Yuan, Li-Xia; Hu, Xian-Luo; Zhang, Wu-Xing; Jiang, Long; Yang, Jun-You; Zhang, Zhao-Liang

2013-01-01

A cobalt-based thermoelectric compound Ca3Co2O6 (CCO) has been developed as new cathode material with superior performance for intermediate-temperature (IT) solid-oxide fuel cell (SOFC). Systematic evaluation has been carried out. Measurement of thermal expansion coefficient (TEC), thermal-stress (σ) and interfacial shearing stress (τ) with the electrolyte show that CCO matches well with several commonly-used IT electrolytes. Maximum power density as high as 1.47 W cm−2 is attained at 800°C, and an additional thermoelectric voltage of 11.7 mV is detected. The superior electrochemical performance, thermoelectric effect, and comparable thermal and mechanical behaviors with the electrolytes make CCO to be a promising cathode material for SOFC. PMID:23350032

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

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

18O-tracer diffusion along nanoscaled Sc2O3/yttria stabilized zirconia (YSZ) multilayers: on the influence of strain

PubMed Central

Aydin, Halit; Korte, Carsten; Janek, Jürgen

2013-01-01

The oxygen tracer diffusion coefficient describing transport along nano-/microscaled YSZ/Sc2O3 multilayers as a function of the thick­ness of the ion-conducting YSZ layers has been measured by isotope exchange depth profiling (IEDP), using secondary ion mass spec­trometry (SIMS). The multilayer samples were prepared by pulsed laser deposition (PLD) on (0001) Al2O3 single crystalline substrates. The values for the oxygen tracer diffusion coefficient were analyzed as a combination of contributions from bulk and interface contributions and compared with results from YSZ/Y2O3-multilayers with similar microstructure. Using the Nernst–Einstein equation as the relation between diffusivity and electrical conductivity we find very good agreement between conductivity and diffusion data, and we exclude substantial electronic conductivity in the multilayers. The effect of hetero-interface transport can be well explained by a simple interface strain model. As the multilayer samples consist of columnar film crystallites with a defined inter­face structure and texture, we also discuss the influence of this particular microstructure on the interfacial strain. PMID:27877580

3D filling simulation of micro- and nanostructures in comparison to iso- and variothermal injection moulding trials

NASA Astrophysics Data System (ADS)

Rytka, C.; Lungershausen, J.; Kristiansen, P. M.; Neyer, A.

2016-06-01

Flow simulations can cut down both costs and time for the development of injection moulded polymer parts with functional surfaces used in life science and optical applications. We simulated the polymer melt flow into 3D micro- and nanostructures with Moldflow and Comsol and compared the results to real iso- and variothermal injection moulding trials below, at and above the transition temperature of the polymer. By adjusting the heat transfer coefficient and the transition temperature in the simulation it was possible to achieve good correlation with experimental findings at different processing conditions (mould temperature, injection velocity) for two polymers, namely polymethylmethacrylate and amorphous polyamide. The macroscopic model can be scaled down in volume and number of elements to save computational time for microstructure simulation and to enable first and foremost the nanostructure simulation, as long as local boundary conditions such as flow front speed are transferred correctly. The heat transfer boundary condition used in Moldflow was further evaluated in Comsol. Results showed that the heat transfer coefficient needs to be increased compared to macroscopic moulding in order to represent interfacial polymer/mould effects correctly. The transition temperature is most important in the packing phase for variothermal injection moulding.

Dropwise Condensation of Low Surface Tension Fluids on Omniphobic Surfaces

PubMed Central

Rykaczewski, Konrad; Paxson, Adam T.; Staymates, Matthew; Walker, Marlon L.; Sun, Xiaoda; Anand, Sushant; Srinivasan, Siddarth; McKinley, Gareth H.; Chinn, Jeff; Scott, John Henry J.; Varanasi, Kripa K.

2014-01-01

Compared to the significant body of work devoted to surface engineering for promoting dropwise condensation heat transfer of steam, much less attention has been dedicated to fluids with lower interfacial tension. A vast array of low-surface tension fluids such as hydrocarbons, cryogens, and fluorinated refrigerants are used in a number of industrial applications, and the development of passive means for increasing their condensation heat transfer coefficients has potential for significant efficiency enhancements. Here we investigate condensation behavior of a variety of liquids with surface tensions in the range of 12 to 28 mN/m on three types of omniphobic surfaces: smooth oleophobic, re-entrant superomniphobic, and lubricant-impregnated surfaces. We demonstrate that although smooth oleophobic and lubricant-impregnated surfaces can promote dropwise condensation of the majority of these fluids, re-entrant omniphobic surfaces became flooded and reverted to filmwise condensation. We also demonstrate that on the lubricant-impregnated surfaces, the choice of lubricant and underlying surface texture play a crucial role in stabilizing the lubricant and reducing pinning of the condensate. With properly engineered surfaces to promote dropwise condensation of low-surface tension fluids, we demonstrate a four to eight-fold improvement in the heat transfer coefficient. PMID:24595171

Nonlinear stability of oscillatory core-annular flow: A generalized Kuramoto-Sivashinsky equation with time periodic coefficients

NASA Technical Reports Server (NTRS)

Coward, Adrian V.; Papageorgiou, Demetrios T.; Smyrlis, Yiorgos S.

1994-01-01

In this paper the nonlinear stability of two-phase core-annular flow in a pipe is examined when the acting pressure gradient is modulated by time harmonic oscillations and viscosity stratification and interfacial tension is present. An exact solution of the Navier-Stokes equations is used as the background state to develop an asymptotic theory valid for thin annular layers, which leads to a novel nonlinear evolution describing the spatio-temporal evolution of the interface. The evolution equation is an extension of the equation found for constant pressure gradients and generalizes the Kuramoto-Sivashinsky equation with dispersive effects found by Papageorgiou, Maldarelli & Rumschitzki, Phys. Fluids A 2(3), 1990, pp. 340-352, to a similar system with time periodic coefficients. The distinct regimes of slow and moderate flow are considered and the corresponding evolution is derived. Certain solutions are described analytically in the neighborhood of the first bifurcation point by use of multiple scales asymptotics. Extensive numerical experiments, using dynamical systems ideas, are carried out in order to evaluate the effect of the oscillatory pressure gradient on the solutions in the presence of a constant pressure gradient.

Morphological study of polymethyl methacrylate microcapsules filled with self-healing agents

NASA Astrophysics Data System (ADS)

Ahangaran, Fatemeh; Hayaty, Mehran; Navarchian, Amir H.

2017-03-01

Polymethyl methacrylate (PMMA) microcapsules filled with epoxy prepolymer, 3-aminomethyl-3,5,5-trimethylcyclohexylamine, and pentaerythritol tetrakis (3-mercaptopropionate) as healing agents have been prepared separately through internal phase separation method for self-healing purposes. PMMA with two different molecular weights (M bar1 = 36,000 g/mol and M bar2 = 550,000 g/mol) were used with two types of different emulsifiers (ionic and polymeric) to prepare microcapsules. The morphology of healing agent microcapsules was investigated using field emission scanning electron microscopy (FESEM). It was found that PMMA microcapsules separately filled with epoxy and amine had core-shell morphologies with smooth surfaces. The mercaptan/PMMA particles exhibited core-shell and acorn-shape morphologies. The surface morphology of mercaptan microcapsules changed from holed to plain in different emulsion systems. The spreading coefficient (S) of phases in the prepared emulsion systems were calculated from interfacial tension (σ) and contact angle (θ) measurements. The theoretical equilibrium morphology of PMMA microcapsules was predicted according to spreading coefficient values of phases in emulsion systems. It was also found that the surface morphology of PMMA microcapsules depended strongly on the nature of the core, molecular weight of PMMA, type and concentration of emulsifier.

Analytical coupled modeling of a magneto-based acoustic metamaterial harvester

NASA Astrophysics Data System (ADS)

Nguyen, H.; Zhu, R.; Chen, J. K.; Tracy, S. L.; Huang, G. L.

2018-05-01

Membrane-type acoustic metamaterials (MAMs) have demonstrated unusual capacity in controlling low-frequency sound transmission, reflection, and absorption. In this paper, an analytical vibro-acoustic-electromagnetic coupling model is developed to study MAM harvester sound absorption, energy conversion, and energy harvesting behavior under a normal sound incidence. The MAM harvester is composed of a prestressed membrane with an attached rigid mass, a magnet coil, and a permanent magnet coin. To accurately capture finite-dimension rigid mass effects on the membrane deformation under the variable magnet force, a theoretical model based on the deviating acoustic surface Green’s function approach is developed by considering the acoustic near field and distributed effective shear force along the interfacial boundary between the mass and the membrane. The accuracy and capability of the theoretical model is verified through comparison with the finite element method. In particular, sound absorption, acoustic-electric energy conversion, and harvesting coefficient are quantitatively investigated by varying the weight and size of the attached mass, prestress and thickness of the membrane. It is found that the highest achievable conversion and harvesting coefficients can reach up to 48%, and 36%, respectively. The developed model can serve as an efficient tool for designing MAM harvesters.

Fabrication and tribological response of aluminium 6061 hybrid composite reinforced with bamboo char and boron carbide micro-fillers

NASA Astrophysics Data System (ADS)

Chethan, K. N.; Pai, Anand; Keni, Laxmikant G.; Singhal, Ashish; Sinha, Shubham

2018-02-01

Metal matrix composites (MMCs) have a wide scope of industrial applications and triumph over conventional materials due to their light weight, higher specific strength, good wear resistance and lower coefficient of thermal expansion. The present study aims at establishing the feasibility of using Bamboo charcoal particulate and boron carbide as reinforcements in Al-6061 alloy matrix and to investigate their effect on the wear of composites taking into consideration the interfacial adhesion of the reinforcements in the alloy. Al-6061 alloy was chosen as a base metallic alloy matrix. Sun-dried bamboo canes were used for charcoal preparation with the aid of a muffle furnace. The carbon content in the charcoal samples was determined by EDS (energy dispersive spectroscopy). In present study, stir casting technique was used to prepare the samples with 1%, 2%, and 3% weight of bamboo charcoal and boron carbide with Al-6061. The fabricated composites were homogenised at 570°C for 6 hours and cooled at room temperature. Wear studies were carried out on the specimens with different speed and loads. It was found that wear rate and coefficient of friction decreased with increase in the reinforcement content.

Chemical and Temperature Effects on Diffusion in a Model Polymer/Nanoparticle Composite

NASA Astrophysics Data System (ADS)

Janes, Dustin; Durning, Christopher

Polymers and inks used in medical devices may be strengthened with nanoparticle fillers, so an understanding of how they may affect the release of residuals and additives via diffusion will help modernize biocompatibility testing. Transport of small molecules in polymers with increasing volume fraction of impermeable nanoparticles is often poorly predicted by the simple Maxwell model for heterogeneous media. In this presentation we will examine two diffusant classes, only one of which possesses hydrogen bonding interactions with the nanoparticle surface. Since similar reductions in mutual diffusion coefficients were observed in both cases we attribute the enhancement of the ''blocking effect'' in nanocomposites to a reduction in polymer mobility in the interfacial volume near the nanoparticle. The temperature and penetrant concentration dependence of the diffusion coefficients were examined in the context of a Vrentas-Duda free volume model that includes a thermally activated prefactor. While data obtained for rubbery poly(methyl acrylate) clearly obeys the expected Arrhenius scaling with EA = 11 kJ/mol, results for films containing d = 14 nm spherical silica nanoparticles do not, providing more evidence that polymer free volume is perturbed in unexpected ways even for conceptually simple systems. National Science Foundation IGERT Program, Pall Corporation.

Tribological properties of boron nitride synthesized by ion beam deposition

NASA Technical Reports Server (NTRS)

Miyoshi, K.; Buckley, D. H.; Spalvins, T.

1985-01-01

The adhesion and friction behavior of boron nitride films on 440 C bearing stainless steel substrates was examined. The thin films containing the boron nitride were synthesized using an ion beam extracted from a borazine plasma. Sliding friction experiments were conducted with BN in sliding contact with itself and various transition metals. It is indicated that the surfaces of atomically cleaned BN coating film contain a small amount of oxides and carbides, in addition to boron nitride. The coefficients of friction for the BN in contact with metals are related to the relative chemical activity of the metals. The more active the metal, the higher is the coefficient of friction. The adsorption of oxygen on clean metal and BN increases the shear strength of the metal - BN contact and increases the friction. The friction for BN-BN contact is a function of the shear strength of the elastic contacts. Clean BN surfaces exhibit relatively strong interfacial adhesion and high friction. The presence of adsorbates such as adventitious carbon contaminants on the BN surfaces reduces the shear strength of the contact area. In contrast, chemically adsorbed oxygen enhances the shear strength of the BN-BN contact and increases the friction.

Dropwise condensation of low surface tension fluids on omniphobic surfaces.

PubMed

Rykaczewski, Konrad; Paxson, Adam T; Staymates, Matthew; Walker, Marlon L; Sun, Xiaoda; Anand, Sushant; Srinivasan, Siddarth; McKinley, Gareth H; Chinn, Jeff; Scott, John Henry J; Varanasi, Kripa K

2014-03-05

Compared to the significant body of work devoted to surface engineering for promoting dropwise condensation heat transfer of steam, much less attention has been dedicated to fluids with lower interfacial tension. A vast array of low-surface tension fluids such as hydrocarbons, cryogens, and fluorinated refrigerants are used in a number of industrial applications, and the development of passive means for increasing their condensation heat transfer coefficients has potential for significant efficiency enhancements. Here we investigate condensation behavior of a variety of liquids with surface tensions in the range of 12 to 28 mN/m on three types of omniphobic surfaces: smooth oleophobic, re-entrant superomniphobic, and lubricant-impregnated surfaces. We demonstrate that although smooth oleophobic and lubricant-impregnated surfaces can promote dropwise condensation of the majority of these fluids, re-entrant omniphobic surfaces became flooded and reverted to filmwise condensation. We also demonstrate that on the lubricant-impregnated surfaces, the choice of lubricant and underlying surface texture play a crucial role in stabilizing the lubricant and reducing pinning of the condensate. With properly engineered surfaces to promote dropwise condensation of low-surface tension fluids, we demonstrate a four to eight-fold improvement in the heat transfer coefficient.

Impact of increasing adherence to disease-modifying therapies on healthcare resource utilization and direct medical and indirect work loss costs for patients with multiple sclerosis.

PubMed

Yermakov, Sander; Davis, Matthew; Calnan, Michaela; Fay, Monica; Cox-Buckley, Brieana; Sarda, Sujata; Duh, Mei Sheng; Iyer, Ravi

2015-01-01

To estimate the effect of adherence to disease-modifying therapies (DMTs) among patients with multiple sclerosis (MS) on healthcare resource utilization (HRU) and costs, and model the impact of a 10 percentage point increase in adherence on these outcomes. Employed patients, 18-64 years old, with ≥2 MS diagnoses and ≥1 DMT claim during January 1, 2002 to September 30, 2012 were identified from a large commercially-insured US claims database. Adherence was measured as proportion of days covered (PDC) during follow-up. Multivariate regression analyses were conducted to estimate the effect of adherence on HRU related to urgent care (i.e., inpatient or emergency room visit), days of work loss, direct medical cost, and indirect work loss costs. Model coefficients were used to evaluate the impact of a 10 percentage point increase in adherence on the outcomes. A total of 1510 patients were included (mean age = 43.4 years, 64% female). Patients with higher adherence had lower HRU, fewer days of work loss, and lower direct and indirect costs. A 10 percentage point increase in adherence significantly decreased the likelihood of an inpatient or emergency room visit by 9-19%, days of work loss by 3-8%, and direct and indirect costs by 3-5%, depending on the follow-up period (all p < 0.01). Increasing DMT adherence was found to significantly decrease urgent-care HRU, days of work loss, and direct and indirect costs among patients with MS.

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.

Seasonal and interannual variability of the Arctic sea ice: A comparison between AO-FVCOM and observations

NASA Astrophysics Data System (ADS)

Zhang, Yu; Chen, Changsheng; Beardsley, Robert C.; Gao, Guoping; Qi, Jianhua; Lin, Huichan

2016-11-01

A high-resolution (up to 2 km), unstructured-grid, fully ice-sea coupled Arctic Ocean Finite-Volume Community Ocean Model (AO-FVCOM) was used to simulate the sea ice in the Arctic over the period 1978-2014. The spatial-varying horizontal model resolution was designed to better resolve both topographic and baroclinic dynamics scales over the Arctic slope and narrow straits. The model-simulated sea ice was in good agreement with available observed sea ice extent, concentration, drift velocity and thickness, not only in seasonal and interannual variability but also in spatial distribution. Compared with six other Arctic Ocean models (ECCO2, GSFC, INMOM, ORCA, NAME, and UW), the AO-FVCOM-simulated ice thickness showed a higher mean correlation coefficient of ˜0.63 and a smaller residual with observations. Model-produced ice drift speed and direction errors varied with wind speed: the speed and direction errors increased and decreased as the wind speed increased, respectively. Efforts were made to examine the influences of parameterizations of air-ice external and ice-water interfacial stresses on the model-produced bias. The ice drift direction was more sensitive to air-ice drag coefficients and turning angles than the ice drift speed. Increasing or decreasing either 10% in water-ice drag coefficient or 10° in water-ice turning angle did not show a significant influence on the ice drift velocity simulation results although the sea ice drift speed was more sensitive to these two parameters than the sea ice drift direction. Using the COARE 4.0-derived parameterization of air-water drag coefficient for wind stress did not significantly influence the ice drift velocity simulation.

Transverse piezoelectric coefficient measurement of flexible lead zirconate titanate thin films

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

Dufay, T.; Guiffard, B.; Seveno, R.

Highly flexible lead zirconate titanate, Pb(Zr,Ti)O{sub 3} (PZT), thin films have been realized by modified sol-gel process. The transverse piezoelectric coefficient d{sub 31} was determined from the tip displacement of bending-mode actuators made of PZT cantilever deposited onto bare or RuO{sub 2} coated aluminium substrate (16 μm thick). The influence of the thickness of ruthenium dioxide RuO{sub 2} and PZT layers was investigated for Pb(Zr{sub 0.57}Ti{sub 0.43})O{sub 3}. The modification of Zr/Ti ratio from 40/60 to 60/40 was done for 3 μm thick PZT thin films onto aluminium (Al) and Al/RuO{sub 2} substrates. A laser vibrometer was used to measure the beammore » displacement under controlled electric field. The experimental results were fitted in order to find the piezoelectric coefficient. Very large tip deflections of about 1 mm under low voltage (∼8 V) were measured for every cantilevers at the resonance frequency (∼180 Hz). For a given Zr/Ti ratio of 58/42, it was found that the addition of a 40 nm thick RuO{sub 2} interfacial layer between the aluminium substrate and the PZT layer induces a remarkable increase of the d{sub 31} coefficient by a factor of 2.7, thus corresponding to a maximal d{sub 31} value of 33 pC/N. These results make the recently developed PZT/Al thin films very attractive for both low frequency bending mode actuating applications and vibrating energy harvesting.« less

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.

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.

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.

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

Stability of Core Language Skill Stability of Core Language Skill from Early Childhood to Adolescence: A Latent Variable Approach

PubMed Central

Bornstein, Marc H.; Hahn, Chun-Shin; Putnick, Diane L.; Suwalsky, Joan T. D.

2014-01-01

This four-wave prospective longitudinal study evaluated stability of language in 324 children from early childhood to adolescence. Structural equation modeling supported loadings of multiple age-appropriate multi-source measures of child language on single-factor core language skills at 20 months and 4, 10, and 14 years. Large stability coefficients (standardized indirect effect = .46) were obtained between language latent variables from early childhood to adolescence and accounting for child nonverbal intelligence and social competence and maternal verbal intelligence, education, speech, and social desirability. Stability coefficients were similar for girls and boys. Stability of core language skill was stronger from 4 to 10 to 14 years than from 20 months to 4 years, so early intervention to improve lagging language is recommended. PMID:25165797

Low dimensional model of heart rhythm dynamics as a tool for diagnosing the anaerobic threshold

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

Anosov, O.L.; Butkovskii, O.Y.; Kadtke, J.

We report preliminary results on describing the dependence of the heart rhythm variability on the stress level by using qualitative, low dimensional models. The reconstruction of macroscopic heart models yielding cardio cycles (RR-intervals) duration was based on actual clinical data. Our results show that the coefficients of the low dimensional models are sensitive to metabolic changes. In particular, at the transition between aerobic and aerobic-anaerobic metabolism, there are pronounced extrema in the functional dependence of the coefficients on the stress level. This strong sensitivity can be used to design an easy indirect method for determining the anaerobic threshold. This methodmore » could replace costly and invasive traditional methods such as gas analysis and blood tests. {copyright} {ital 1997 American Institute of Physics.}« less

Clustering Coefficients for Correlation Networks.

PubMed

Masuda, Naoki; Sakaki, Michiko; Ezaki, Takahiro; Watanabe, Takamitsu

2018-01-01

Graph theory is a useful tool for deciphering structural and functional networks of the brain on various spatial and temporal scales. The clustering coefficient quantifies the abundance of connected triangles in a network and is a major descriptive statistics of networks. For example, it finds an application in the assessment of small-worldness of brain networks, which is affected by attentional and cognitive conditions, age, psychiatric disorders and so forth. However, it remains unclear how the clustering coefficient should be measured in a correlation-based network, which is among major representations of brain networks. In the present article, we propose clustering coefficients tailored to correlation matrices. The key idea is to use three-way partial correlation or partial mutual information to measure the strength of the association between the two neighboring nodes of a focal node relative to the amount of pseudo-correlation expected from indirect paths between the nodes. Our method avoids the difficulties of previous applications of clustering coefficient (and other) measures in defining correlational networks, i.e., thresholding on the correlation value, discarding of negative correlation values, the pseudo-correlation problem and full partial correlation matrices whose estimation is computationally difficult. For proof of concept, we apply the proposed clustering coefficient measures to functional magnetic resonance imaging data obtained from healthy participants of various ages and compare them with conventional clustering coefficients. We show that the clustering coefficients decline with the age. The proposed clustering coefficients are more strongly correlated with age than the conventional ones are. We also show that the local variants of the proposed clustering coefficients (i.e., abundance of triangles around a focal node) are useful in characterizing individual nodes. In contrast, the conventional local clustering coefficients were strongly correlated with and therefore may be confounded by the node's connectivity. The proposed methods are expected to help us to understand clustering and lack thereof in correlational brain networks, such as those derived from functional time series and across-participant correlation in neuroanatomical properties.

Clustering Coefficients for Correlation Networks

PubMed Central

Masuda, Naoki; Sakaki, Michiko; Ezaki, Takahiro; Watanabe, Takamitsu

2018-01-01

Graph theory is a useful tool for deciphering structural and functional networks of the brain on various spatial and temporal scales. The clustering coefficient quantifies the abundance of connected triangles in a network and is a major descriptive statistics of networks. For example, it finds an application in the assessment of small-worldness of brain networks, which is affected by attentional and cognitive conditions, age, psychiatric disorders and so forth. However, it remains unclear how the clustering coefficient should be measured in a correlation-based network, which is among major representations of brain networks. In the present article, we propose clustering coefficients tailored to correlation matrices. The key idea is to use three-way partial correlation or partial mutual information to measure the strength of the association between the two neighboring nodes of a focal node relative to the amount of pseudo-correlation expected from indirect paths between the nodes. Our method avoids the difficulties of previous applications of clustering coefficient (and other) measures in defining correlational networks, i.e., thresholding on the correlation value, discarding of negative correlation values, the pseudo-correlation problem and full partial correlation matrices whose estimation is computationally difficult. For proof of concept, we apply the proposed clustering coefficient measures to functional magnetic resonance imaging data obtained from healthy participants of various ages and compare them with conventional clustering coefficients. We show that the clustering coefficients decline with the age. The proposed clustering coefficients are more strongly correlated with age than the conventional ones are. We also show that the local variants of the proposed clustering coefficients (i.e., abundance of triangles around a focal node) are useful in characterizing individual nodes. In contrast, the conventional local clustering coefficients were strongly correlated with and therefore may be confounded by the node's connectivity. The proposed methods are expected to help us to understand clustering and lack thereof in correlational brain networks, such as those derived from functional time series and across-participant correlation in neuroanatomical properties. PMID:29599714

Native and enzymatically modified wheat (Triticum aestivum L.) endogenous lipids in bread making: a focus on gas cell stabilization mechanisms.

PubMed

Gerits, Lien R; Pareyt, Bram; Masure, Hanne G; Delcour, Jan A

2015-04-01

Lipopan F and Lecitase Ultra lipases were used in straight dough bread making to study how wheat lipids affect bread loaf volume (LV) and crumb structure setting. Lipase effects on LV were dose and dough piece weight dependent. The bread quality improving mechanisms exerted by endogenous lipids were studied in terms of gluten network strengthening, which indirectly stabilizes gas cells, and in terms of direct interfacial gas cell stabilization. Unlike diacetyl tartaric esters of mono- and diacylglycerols (DATEM, used as control), lipase use did not impact dough extensibility. The effect on dough extensibility was therefore related to its lipid composition at the start of mixing. Both lipases and DATEM strongly increase the levels of polar lipids in dough liquor and their availability for and potential accumulation at gas cell interfaces. Lipases form lysolipids that emulsify other lipids. We speculate that DATEM competes with (endogenous) polar lipids for interacting with gluten proteins. Copyright © 2014 Elsevier Ltd. All rights reserved.

Femtosecond fluorescence dynamics of porphyrin in solution and solid films: the effects of aggregation and interfacial electron transfer between porphyrin and TiO2.

PubMed

Luo, Liyang; Lo, Chen-Fu; Lin, Ching-Yao; Chang, I-Jy; Diau, Eric Wei-Guang

2006-01-12

The excited-state relaxation dynamics of a synthetic porphyrin, ZnCAPEBPP, in solution, coated on a glass substrate as solid films, mixed with PMMA and coated on a glass substrate as solid films, and sensitized on nanocrystalline TiO2 films were investigated by using femtosecond fluorescence up-conversion spectroscopy with excitation in the Soret band, S2. We found that the S2--> S1 electronic relaxation of ZnCAPEBPP in solution and on PMMA films occurs in 910 and 690 fs, respectively, but it becomes extremely rapid, <100 fs, in solid films and TiO2 films due to formation of porphyrin aggregates. When probed in the S1 state of porphyrin, the fluorescence transients of the solid films show a biphasic kinetic feature with the rapid and slow components decaying in 1.9-2.4 and 19-26 ps, respectively. The transients in ZnCAPEBPP/TiO2 films also feature two relaxation processes but they occur on different time scales, 100-300 fs and 0.8-4.1 ps, and contain a small offset. According to the variation of relaxation period as a function of molecular density on a TiO2 surface, we assigned the femtosecond component of the TiO2 films as due to indirect interfacial electron transfer through a phenylethynyl bridge attached to one of four meso positions of the porphyrin ring, and the picosecond component arising from intermolecular energy transfer among porphyrins. The observed variation of aggregate-induced relaxation periods between solid and TiO2 films is due mainly to aggregation of two types: J-type aggregation is dominant in the former case whereas H-type aggregation prevails in the latter case.

Spontaneous grafting of diazonium salts: chemical mechanism on metallic surfaces.

PubMed

Mesnage, Alice; Lefèvre, Xavier; Jégou, Pascale; Deniau, Guy; Palacin, Serge

2012-08-14

The spontaneous reaction of diazonium salts on various substrates has been widely employed since it consists of a simple immersion of the substrate in the diazonium salt solution. As electrochemical processes involving the same diazonium salts, the spontaneous grafting is assumed to give covalently poly(phenylene)-like bonded films. Resistance to solvents and to ultrasonication is commonly accepted as indirect proof of the existence of a covalent bond. However, the most relevant attempts to demonstrate a metal-C interface bond have been obtained by an XPS investigation of spontaneously grafted films on copper. Similarly, our experiments give evidence of such a bond in spontaneously grafted films on nickel substrates in acetonitrile. In the case of gold substrates, the formation of a spontaneous film was unexpected but reported in the literature in parallel to our observations. Even if no interfacial bond was observed, formation of the films was explained by grafting of aryl cations or radicals on the surface arising from dediazoniation, the film growing later by azo coupling, radical addition, or cationic addition on the grafted phenyl layer. Nevertheless, none of these mechanisms fits our experimental results showing the presence of an Au-N bond. In this work, we present a fine spectroscopic analysis of the coatings obtained on gold and nickel substrates that allow us to propose a chemical structure of such films, in particular, their interface with the substrates. After testing the most probable mechanisms, we have concluded in favor of the involvement of two complementary mechanisms which are the direct reaction of diazonium salts with the gold surface that accounts for the observed Au-N interfacial bonds as well as the formation of aryl cations able to graft on the substrate through Au-C linkages.

Estimation of heat transfer coefficients for biomass particles by direct numerical simulation using microstructured particle models in the Laminar regime

DOE PAGES

Pecha, M. Brennan; Garcia-Perez, Manuel; Foust, Thomas D.; ...

2016-11-08

Here, direct numerical simulation of convective heat transfer from hot gas to isolated biomass particle models with realistic morphology and explicit microstructure was performed over a range of conditions with laminar flow of hot gas (500 degrees C). Steady-state results demonstrated that convective interfacial heat transfer is dependent on the wood species. The computed heat transfer coefficients were shown to vary between the pine and aspen models by nearly 20%. These differences are attributed to the species-specific variations in the exterior surface morphology of the biomass particles. We also quantify variations in heat transfer experienced by the particle when positionedmore » in different orientations with respect to the direction of fluid flow. These results are compared to previously reported heat transfer coefficient correlations in the range of 0.1 < Pr < 1.5 and 10 < Re < 500. Comparison of these simulation results to correlations commonly used in the literature (Gunn, Ranz-Marshall, and Bird-Stewart-Lightfoot) shows that the Ranz-Marshall (sphere) correlation gave the closest h values to our steady-state simulations for both wood species, though no existing correlation was within 20% of both species at all conditions studied. In general, this work exemplifies the fact that all biomass feedstocks are not created equal, and that their species-specific characteristics must be appreciated in order to facilitate accurate simulations of conversion processes.« less

Estimation of heat transfer coefficients for biomass particles by direct numerical simulation using microstructured particle models in the Laminar regime

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

Pecha, M. Brennan; Garcia-Perez, Manuel; Foust, Thomas D.

Here, direct numerical simulation of convective heat transfer from hot gas to isolated biomass particle models with realistic morphology and explicit microstructure was performed over a range of conditions with laminar flow of hot gas (500 degrees C). Steady-state results demonstrated that convective interfacial heat transfer is dependent on the wood species. The computed heat transfer coefficients were shown to vary between the pine and aspen models by nearly 20%. These differences are attributed to the species-specific variations in the exterior surface morphology of the biomass particles. We also quantify variations in heat transfer experienced by the particle when positionedmore » in different orientations with respect to the direction of fluid flow. These results are compared to previously reported heat transfer coefficient correlations in the range of 0.1 < Pr < 1.5 and 10 < Re < 500. Comparison of these simulation results to correlations commonly used in the literature (Gunn, Ranz-Marshall, and Bird-Stewart-Lightfoot) shows that the Ranz-Marshall (sphere) correlation gave the closest h values to our steady-state simulations for both wood species, though no existing correlation was within 20% of both species at all conditions studied. In general, this work exemplifies the fact that all biomass feedstocks are not created equal, and that their species-specific characteristics must be appreciated in order to facilitate accurate simulations of conversion processes.« less

Structural and environmental dependence of superlow friction in ion vapour-deposited a-C : H : Si films for solid lubrication application

NASA Astrophysics Data System (ADS)

Chen, Xinchun; Kato, Takahisa; Kawaguchi, Masahiro; Nosaka, Masataka; Choi, Junho

2013-06-01

Understanding the tribochemical interaction of water molecules in humid environment with carbonaceous film surfaces, especially hydrophilic surface, is fundamental for applications in tribology and solid lubrication. This paper highlights some experimental evidence to elucidate the structural and environmental dependence of ultralow or even superlow friction in ion vapour-deposited a-C : H : Si films. The results indicate that both surface density of silicon hydroxyl group (Si-OH) and humidity level (RH) determine the frictional performance of a-C : H : Si films. Ultralow friction coefficient μ (˜0.01-0.055) is feasible in a wide range of RH. The dissociative formation of hydrophilic Si-OH surface and the following nanostructure of interfacial water molecules under contact pressure are the origin of ultralow friction for a-C : H : Si films in humid environment. The correlation between contact pressure and friction coefficient derived from Hertzian contact model is not valid in the present case. Under this nanoscale boundary lubrication, the friction coefficient tends to increase as the contact pressure increases. There even exists a contact pressure threshold for the transition from ultralow to superlow friction (μ ˜ 0.007). In comparison, when tribotested in dry N2, the observed superlow friction (μ ˜ 0.004) in the absence of water is correlated with the formation of a low shear strength tribolayer by wear-induced phase transformation.

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.

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.

Magnetic Damping For Maglev

DOE PAGES

Zhu, S.; Cai, Y.; Rote, D. M.; ...

1998-01-01

Magnetic damping is one of the important parameters that control the response and stability of maglev systems. An experimental study to measure magnetic damping directly is presented. A plate attached to a permanent magnet levitated on a rotating drum was tested to investigate the effect of various parameters, such as conductivity, gap, excitation frequency, and oscillation amplitude, on magnetic damping. The experimental technique is capable of measuring all of the magnetic damping coefficients, some of which cannot be measured indirectly.

Economic-environmental modeling of point source pollution in Jefferson County, Alabama, USA.

PubMed

Kebede, Ellene; Schreiner, Dean F; Huluka, Gobena

2002-05-01

This paper uses an integrated economic-environmental model to assess the point source pollution from major industries in Jefferson County, Northern Alabama. Industrial expansion generates employment, income, and tax revenue for the public sector; however, it is also often associated with the discharge of chemical pollutants. Jefferson County is one of the largest industrial counties in Alabama that experienced smog warnings and ambient ozone concentration, 1996-1999. Past studies of chemical discharge from industries have used models to assess the pollution impact of individual plants. This study, however, uses an extended Input-Output (I-O) economic model with pollution emission coefficients to assess direct and indirect pollutant emission for several major industries in Jefferson County. The major findings of the study are: (a) the principal emission by the selected industries are volatile organic compounds (VOC) and these contribute to the ambient ozone concentration; (b) the direct and indirect emissions are significantly higher than the direct emission by some industries, indicating that an isolated analysis will underestimate the emission by an industry; (c) while low emission coefficient industries may suggest industry choice they may also emit the most hazardous chemicals. This study is limited by the assumptions made, and the data availability, however it provides a useful analytical tool for direct and cumulative emission estimation and generates insights on the complexity in choice of industries.

Characterization of adhesion at carbon fiber-fluorinated epoxy interface and effect of environmental degradation

NASA Astrophysics Data System (ADS)

Dasgupta, Suman

2011-12-01

Carbon fiber reinforced polymers are excellent candidates for aerospace, automobile and other mobile applications due to their high specific strength and modulus. The most prominent aerospace application of carbon fiber composites in recent times is the Boeing 787 Dreamliner, which is the world's first major commercial airliner to extensively use composite materials. The critical issue, which needs to be addressed hereby, is long-term safety. Hence, long-term durability of composite materials in such applications becomes a point of concern. Conventional polymer matrices, such as thermosetting resins, which are used as matrix material in carbon fiber composites, are susceptible to degradation in the form of chemical corrosion, UV degradation and moisture, in severe environmental conditions. Fluorinated polymers offer a viable alternative as matrix material, due to their reduced susceptibility to environmental degradation. The epoxy system used in this study is fluorinated Tetra-glycidyl methylene di-aniline (6F-TGMDA), which was developed by polymer scientists at NASA Langley Research Center. The hydrophobic nature of this epoxy makes it a potential matrix material in aerospace applications. However, its compatibility in carbon fiber-reinforced composites remains to be investigated. This study aims to characterize the interfacial properties in carbon fiber reinforced fluorinated epoxy composites. Typical interfacial characterization parameters, like interfacial shear strength, estimated from the microbond test, proved to be inadequate in accurately estimating adhesion since it assumes a uniform distribution of stresses along the embedded fiber length. Also, it does not account for any residual stresses present at the interface, which might arise due to thermal expansion differences and Poisson's ratio differences of the fiber and matrix. Hence, an analytical approach, which calculates adhesion pressure at the interface, was adopted. This required determination of the unknown mechanical and physical properties of the resin, the relaxation modulus (determined using nano-indentation) and coefficient of thermal expansion (determined using coherent gradient sensing). The adhesional pressure for 6F TGMDA-carbon fiber interface was found to be 135.48 MPa compared to 138.47 MPa for the Diamino diphenyl sulphone (DDS) cured TGMDA-carbon fiber interface. The fact that the adhesional pressure does not show significant decrease upon fluorination of the epoxy system is an advantage. The hydrophobicity of fluorine can be utilized to manufacture environmentally resistant composites while keeping the level of interfacial adhesion the same as in the case of conventional epoxy system, DDS cured TGMDA.

Synthesis, characterization, adsorption, and interfacial rheological properties of four-arm anionic fluorosurfactants.

PubMed

Ertekin, Ayça; Kausch, Charles M; Kim, Yongsin; Thomas, Richard R

2008-03-18

Four-arm oligo(fluorooxetane) tetraols containing -CF3 and -C2F5 groups were prepared in reasonable yields by cationic, ring-opening polymerization of fluorinated oxetane monomers using a tetrafunctional, alkoxylated polyol as initiator and BF3.THF as catalyst. The tetraols were then converted to ammonium sulfate salts using oleum followed by neutralization with ammonium hydroxide in excellent yields. The four-arm oligo(fluorooxetane) sulfates (1=-CF3, 2=-C2F5) have an architecture characterized by a hydrophobic core of oligo(fluorooxetane) arms with a hydrophilic sulfate shell and initiator. The four-arm anionic oligo(fluorooxetane)s are surface active with critical micelle concentration values approximately 4.2x10(-6) and 2.4x10(-6) mol/L for 1 and 2, respectively. Surface tension isotherms in pH 8 buffered solution were measured and data fitted parametrically to the Davies surface tension isotherm equation. Molecular areas at saturation were estimated to be approximately 89 and approximately 85 A2 with DeltaGads=-12.7 and -13.2 kcal/mol for 1 and 2, respectively. The results are compared to two-arm, bolaamphiphilic analogues of 1 and 2 and a small molecule, long perfluoroalkyl-chain (-C8F17), anionic fluorosurfactant (Kausch, C. M.; Kim, Y.; Russell, V. M.; Medsker, R. E.; Thomas, R. R. Langmuir 2003, 19, 7182). Dynamic surface tension data for 1 and 2 were analyzed using the Ward-Tordai mass transport equation to yield concentration-dependent diffusion coefficients. In the concentration range approximately 10(-6) mol/L, diffusion coefficients were estimated to be approximately 1-3x10(-5) cm2/s. Dilational interfacial rheological parameters for 1 and 2 were measured. Values of |E| and E' were found to be larger than those of the two-arm analogues of the same perfluoroalkyl chain length while E' 'and phi were found to be smaller. The magnitude of these values reflects the difference in adsorption strength and mass transport and/or relaxation between the two different architectures.

Coupling of Plasmas and Liquids

NASA Astrophysics Data System (ADS)

Lindsay, Alexander David

Plasma-liquids have exciting applications to several important socioeconomic areas, including agriculture, water treatment, and medicine. To realize their application potential, the basic physical and chemical phenomena of plasma-liquid systems must be better understood. Additionally, system designs must be optimized in order to maximize fluxes of critical plasma species to the liquid phase. With objectives to increase understanding of these systems and optimize their applications, we have performed both comprehensive modeling and experimental work. To date, models of plasma-liquids have focused on configurations where diffusion is the dominant transport process in both gas and liquid phases. However, convection plays a key role in many popular plasma source designs, including jets, corona discharges, and torches. In this dissertation, we model momentum, heat, and neutral species mass transfer in a convection-dominated system based on a corona discharge. We show that evaporative cooling produced by gas-phase convection can lead to a significant difference between gas and liquid phase bulk temperatures. Additionally, convection induced in the liquid phase by the gas phase flow substantially increases interfacial mass transfer of hydrophobic species like NO and NO2. Finally, liquid kinetic modeling suggests that concentrations of highly reactive species like OH and ONOOH are several orders of magnitude higher at the interface than in the solution bulk. Subsequent modeling has focused on coupling discharge physics with species transport at and through the interface. An assumption commonly seen in the literature is that interfacial loss coefficients of charged species like electrons are equal to unity. However, there is no experimental evidence to either deny or support this assumption. Without knowing the true interfacial behavior of electrons, we have explored the effects on key plasma-liquid variables of varying interfacial parameters like the electron and energy surface loss coefficients. Within a reasonable range for these parameters, we have demonstrated that the electron density on the gas phase side of the interface can vary by orders of magnitude. Significant effects can also be seen on the gas phase interfacial electron energy. Electron density and energy will play important roles in determining gas phase chemistry in more complex future models; this will in turn feed back into the liquid phase chemistry. To remove this uncertainty in interfacial behavior, we recommend finer scale atomistic or molecular dynamics simulations. Efficient coupling of the highly non-linear discharge physics equations to liquid transport required creation of a new simulation code named Zapdos, built on top of the MOOSE framework. The operation and capabilities of the code are described in this work. Moreover, changes made to the MOOSE framework allowing coupling of physics across subdomain boundaries, necessary for plasma-liquid coupling, are also detailed. In the latter half of this work, we investigate experimental optimization and characterization of plasma-liquid interactions surrounding a unique very high frequency (VHF) plasma discharge. Several geometric configurations are considered. In the most promising set-up, the discharge is pointed upwards and water is pumped through the source's inner conductor until it forms a milimeter thick water layer on top of the powered electrode. This maximizes the amount of charged and neutral species flux received by the aqueous phase as well as the amount of water vapor created in the gas phase. Additionally, the configuration eliminates electrode damage by providing an infinitely renewable liquid surface layer. The presence of large amounts of water vapor and OH radicals is confirmed by optical emission and broadband absorption spectroscopy. Characterization of liquid phase species like NO-3 , NO-2 , and H2O2 is carried out through ion chromatography (IC) and colorimetric measurements. After detailing the design and characterization of our plasma-liquid systems, we illustrate their applications to plant fertilization and wastewater disinfection. In a four-week collaborative experiment with the NCSU greenhouse, plants that received plasma-treated water grew significantly larger than plants that received tap water. This is directly attributable to the approximately hundred mg/L of NO-3 dissolved into solution by the plasma. The VHF source also proved effective at removing several aqueous contaminants designated harmful to humans by the EPA. Air plasma treatment of solutions contaminated with 1,4-dioxane showed log reduction times competitive with other advanced oxidative processes (AOP). Argon treatment of dixoane was an order of magnitude more effective in terms of log reduction time, although the associated costs are significantly higher. Perfluorooctanesulfonic acid (PFOS) proved resistant to several VHF design iterations. However, the water electrode design introduced in the passage above achieved a log reduction in low level PFOS concentrations over the course of twenty five minutes, suggesting that it may be viable as an advanced technology for degradation of persistent perfluorinated compounds. (Abstract shortened by ProQuest.).

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...

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.

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.

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.

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

NASA Astrophysics Data System (ADS)

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

2010-04-01

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

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

PubMed

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

2011-06-01

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

Visualizing and Quantifying Pore Scale Fluid Flow Processes With X-ray Microtomography

NASA Astrophysics Data System (ADS)

Wildenschild, D.; Hopmans, J. W.; Vaz, C. M.; Rivers, M. L.

2001-05-01

When using mathematical models based on Darcy's law it is often necessary to simplify geometry, physics or both and the capillary bundle-of-tubes approach neglects a fundamentally important characteristic of porous solids, namely interconnectedness of the pore space. New approaches to pore-scale modeling that arrange capillary tubes in two- or three-dimensional pore space have been and are still under development: Network models generally represent the pore space by spheres while the pore throats are usually represented by cylinders or conical shapes. Lattice Boltzmann approaches numerically solve the Navier-Stokes equations in a realistic microscopically disordered geometry, which offers the ability to study the microphysical basis of macroscopic flow without the need for a simplified geometry or physics. In addition to these developments in numerical modeling techniques, new theories have proposed that interfacial area should be considered as a primary variable in modeling of a multi-phase flow system. In the wake of this progress emerges an increasing need for new ways of evaluating pore-scale models, and for techniques that can resolve and quantify phase interfaces in porous media. The mechanisms operating at the pore-scale cannot be measured with traditional experimental techniques, however x-ray computerized microtomography (CMT) provides non-invasive observation of, for instance, changing fluid phase content and distribution on the pore scale. Interfacial areas have thus far been measured indirectly, but with the advances in high-resolution imaging using CMT it is possible to track interfacial area and curvature as a function of phase saturation or capillary pressure. We present results obtained at the synchrotron-based microtomography facility (GSECARS, sector 13) at the Advanced Photon Source at Argonne National Laboratory. Cylindrical sand samples of either 6 or 1.5 mm diameter were scanned at different stages of drainage and for varying boundary conditions. A significant difference in fluid saturation and phase distribution was observed for different drainage conditions, clearly showing preferential flow and a dependence on the applied flow rate. For the 1.5 mm sample individual pores and water/air interfaces could be resolved and quantified using image analysis techniques. Use of the Advanced Photon Source was supported by the U.S. Department of Energy, Basic Energy Sciences, Office of Science, under Contract No. W-31-109-Eng-38.

Contribution of biotic and abiotic factors in the natural attenuation of sulfamethoxazole: A path analysis approach.

PubMed

Li, Yan; Rashid, Azhar; Wang, Hongjie; Hu, Anyi; Lin, Lifeng; Yu, Chang-Ping; Chen, Meng; Sun, Qian

2018-08-15

Sulfamethoxazole (SMX) is a sulfonamide antibiotic, widely used as curative and preventive drug for human, animal, and aquaculture bacterial infections. Its residues have been ubiquitously detected in the surface waters and sediments. In the present study, SMX dissipation and kinetics was studied in the natural water samples from Jiulong River under simulated complex natural conditions as well as conditions to mimic various biotic and abiotic environmental conditions in isolation. Structural equation modeling (SEM) by employing partial least square technique in path coefficient analysis was used to investigate the direct and indirect contributions of different environmental factors in the natural attenuation of SMX. The model explained 81% of the variability in natural attenuation as a dependent variable under the influence of sole effects of direct photo-degradation, indirect photo-degradation, hydrolysis, microbial degradation and bacterial degradation. The results of SEM suggested that the direct and indirect photo-degradation were the major pathways in the SMX natural attenuation. However, other biotic and abiotic factors also play a mediatory role during the natural attenuation and other processes. Furthermore, the potential transformation products of SMX were identified and their toxicity was evaluated. Copyright © 2018 Elsevier B.V. All rights reserved.

Understanding the Thermodynamic Properties of the Elastocaloric Effect Through Experimentation and Modelling

NASA Astrophysics Data System (ADS)

Tušek, Jaka; Engelbrecht, Kurt; Mañosa, Lluis; Vives, Eduard; Pryds, Nini

2016-12-01

This paper presents direct and indirect methods for studying the elastocaloric effect (eCE) in shape memory materials and its comparison. The eCE can be characterized by the adiabatic temperature change or the isothermal entropy change (both as a function of applied stress/strain). To get these quantities, the evaluation of the eCE can be done using either direct methods, where one measures (adiabatic) temperature changes or indirect methods where one can measure the stress-strain-temperature characteristics of the materials and from these deduce the adiabatic temperature and isothermal entropy changes. The former can be done using the basic thermodynamic relations, i.e. Maxwell relation and Clausius-Clapeyron equation. This paper further presents basic thermodynamic properties of shape memory materials, such as the adiabatic temperature change, isothermal entropy change and total entropy-temperature diagrams (all as a function of temperature and applied stress/strain) of two groups of materials (Ni-Ti and Cu-Zn-Al alloys) obtained using indirect methods through phenomenological modelling and Maxwell relation. In the last part of the paper, the basic definition of the efficiency of the elastocaloric thermodynamic cycle (coefficient of performance) is defined and discussed.

Evaluation of Fatigue Life of CRM-Reinforced SMA and Its Relationship to Dynamic Stiffness

PubMed Central

Mashaan, Nuha Salim; Karim, Mohamed Rehan; Abdel Aziz, Mahrez; Ibrahim, Mohd Rasdan; Katman, Herda Yati

2014-01-01

Fatigue cracking is an essential problem of asphalt concrete that contributes to pavement damage. Although stone matrix asphalt (SMA) has significantly provided resistance to rutting failure, its resistance to fatigue failure is yet to be fully addressed. The aim of this study is to evaluate the effect of crumb rubber modifier (CRM) on stiffness and fatigue properties of SMA mixtures at optimum binder content, using four different modification levels, namely, 6%, 8%, 10%, and 12% CRM by weight of the bitumen. The testing undertaken on the asphalt mix comprises the dynamic stiffness (indirect tensile test), dynamic creep (repeated load creep), and fatigue test (indirect tensile fatigue test) at temperature of 25°C. The indirect tensile fatigue test was conducted at three different stress levels (200, 300, and 400 kPa). Experimental results indicate that CRM-reinforced SMA mixtures exhibit significantly higher fatigue life compared to the mixtures without CRM. Further, higher correlation coefficient was obtained between the fatigue life and resilient modulus as compared to permanent strain; thus resilient modulus might be a more reliable indicator in evaluating the fatigue life of asphalt mixture. PMID:25050406

Charge Transfer Dynamics of Highly Efficient Cyanidin-3-O- Glucoside Sensitizer for Dye-Sensitized Solar Cells

NASA Astrophysics Data System (ADS)

Prima, E. C.; Yuliarto, B.; Suyatman; Dipojono, H. K.

2016-08-01

This paper reports the novel efficiency achievement of black rice-based natural dye- sensitized solar cells. The higher dye concentration, the longer dye extraction as well as dye immersion onto a TiO2 film, and the co-adsorption addition are key strategies for improved-cell performance compared to the highest previous achievement. The black rice dye containing 1.38 mM cyanidin-3-O-glucoside has been extracted without purification for 3 weeks at dark condition and room temperature. The anatase TiO2 photoanode was dipped into dye solution within 4 days. Its electrode was firmly sealed to be a cell and was filled by I-/I3- electrolyte using vacuum technique. As a result, the overall solar-to-energy conversion efficiency was 1.49% at AM 1.5 illumination (100 mW.cm-2). The voltametric analysis has reported the interfacial electronic band edges of TiO2-Dye-Electrolyte. Furthermore, electrochemical impedance spectroscopy has shown the kinetic of interfacial electron transfer dynamics among TiO2-dye-electrolyte. The cell has the transfer resistance (Rt) of 12.5 ω, the recombination resistance (Rr) of 266.8 ω, effective electron diffusion coefficients (Dn) of 1.4 × 10-3 cm2/s, Dye-TiO2 effective electron transfer (τd) of 26.6 μs, effective diffusion length (Ln)of 33.78 μm, chemical capacitance (Cμ) of 12.43 μF, and electron lifetime (τn) of 3.32 ms.

Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies

NASA Astrophysics Data System (ADS)

Küllmer, Knut; Krämer, Andreas; Joppich, Wolfgang; Reith, Dirk; Foysi, Holger

2018-02-01

Pseudopotential-based lattice Boltzmann models are widely used for numerical simulations of multiphase flows. In the special case of multicomponent systems, the overall dynamics are characterized by the conservation equations for mass and momentum as well as an additional advection diffusion equation for each component. In the present study, we investigate how the latter is affected by the forcing scheme, i.e., by the way the underlying interparticle forces are incorporated into the lattice Boltzmann equation. By comparing two model formulations for pure multicomponent systems, namely the standard model [X. Shan and G. D. Doolen, J. Stat. Phys. 81, 379 (1995), 10.1007/BF02179985] and the explicit forcing model [M. L. Porter et al., Phys. Rev. E 86, 036701 (2012), 10.1103/PhysRevE.86.036701], we reveal that the diffusion characteristics drastically change. We derive a generalized, potential function-dependent expression for the transition point from the miscible to the immiscible regime and demonstrate that it is shifted between the models. The theoretical predictions for both the transition point and the mutual diffusion coefficient are validated in simulations of static droplets and decaying sinusoidal concentration waves, respectively. To show the universality of our analysis, two common and one new potential function are investigated. As the shift in the diffusion characteristics directly affects the interfacial properties, we additionally show that phenomena related to the interfacial tension such as the modeling of contact angles are influenced as well.

Polarization-induced transport in organic field-effect transistors: the role of ferroelectric dielectrics

NASA Astrophysics Data System (ADS)

Guha, Suchismita; Laudari, Amrit

2017-08-01

The ferroelectric nature of polymer ferroelectrics such as poly(vinylidene fluoride) (PVDF) has been known for over 45 years. However, its role in interfacial transport in organic/polymeric field-effect transistors (FETs) is not that well understood. Dielectrics based on PVDF and its copolymers are a perfect test-bed for conducting transport studies where a systematic tuning of the dielectric constant with temperature may be achieved. The charge transport mechanism in an organic semiconductor often occurs at the intersection of band-like coherent motion and incoherent hopping through localized states. By choosing two small molecule organic semiconductors - pentacene and 6,13 bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene) - along with a copolymer of PVDF (PVDF-TrFe) as the dielectric layer, the transistor characteristics are monitored as a function of temperature. A negative coefficient of carrier mobility is observed in TIPS-pentacene upwards of 200 K with the ferroelectric dielectric. In contrast, TIPS-pentacene FETs show an activated transport with non-ferroelectric dielectrics. Pentacene FETs, on the other hand, show a weak temperature dependence of the charge carrier mobility in the ferroelectric phase of PVDF-TrFE, which is attributed to polarization fluctuation driven transport resulting from a coupling of the charge carriers to the surface phonons of the dielectric layer. Further, we show that there is a strong correlation between the nature of traps in the organic semiconductor and interfacial transport in organic FETs, especially in the presence of a ferroelectric dielectric.

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.

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.

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

Phytovolatilization of Organic Contaminants.

PubMed

Limmer, Matt; Burken, Joel

2016-07-05

Plants can interact with a variety of organic compounds, and thereby affect the fate and transport of many environmental contaminants. Volatile organic compounds may be volatilized from stems or leaves (direct phytovolatilization) or from soil due to plant root activities (indirect phytovolatilization). Fluxes of contaminants volatilizing from plants are important across scales ranging from local contaminant spills to global fluxes of methane emanating from ecosystems biochemically reducing organic carbon. In this article past studies are reviewed to clearly differentiate between direct- and indirect-phytovolatilization and we discuss the plant physiology driving phytovolatilization in different ecosystems. Current measurement techniques are also described, including common difficulties in experimental design. We also discuss reports of phytovolatilization in the literature, finding that compounds with low octanol-air partitioning coefficients are more likely to be phytovolatilized (log KOA < 5). Reports of direct phytovolatilization at field sites compare favorably to model predictions. Finally, future research needs are presented that could better quantify phytovolatilization fluxes at field scale.

Malaria’s Indirect Contribution to All-Cause Mortality in the Andaman Islands during the Colonial Era

PubMed Central

Shanks, G. Dennis; Hay, Simon I.; Bradley, David J.

2009-01-01

Malaria appears to have a substantial secondary effect on other causes of mortality. From the 19th century, malaria epidemics in the Andaman Islands Penal Colony were initiated by the brackish swamp breeding malaria vector Anopheles sundaicus and fueled by the importation of new prisoners. Malaria was a major determinant of the highly variable all-cause mortality rate (correlation coefficient r2=0.60, n=68, p< 0.0001) from 1872 to 1939. Directly attributed malaria mortality based on postmortem examinations rarely exceeded one fifth of total mortality. Infectious diseases such as pneumonia, tuberculosis, dysentery and diarrhea, which combined with malaria made up a majority of all-cause mortality, were positively correlated to malaria incidence over several decades. Deaths secondary to malaria (indirect malaria mortality) were at least as great as mortality directly attributed to malaria infections. PMID:18599354

Viscothermal Coupling Effects on Sound Attenuation in Concentrated Colloidal Dispersions.

NASA Astrophysics Data System (ADS)

Han, Wei

1995-11-01

This thesis describes a Unified Coupled Phase Continuum (UCPC) model to analyze sound propagation through aerosols, emulsions and suspensions in terms of frequency dependent attenuation coefficient and sound speed. Expressions for the viscous and thermal coupling coefficients explicitly account for the effects of particle size, shape factor, orientation as well as concentration and the sound frequency. The UCPC model also takes into account the intrinsic acoustic absorption within the fluid medium due to its viscosity and heat conductivity. The effective complex wave number as a function of frequency is derived. A frequency- and concentration-dependent complex Nusselt number for the interfacial thermal coupling coefficient is derived using an approximate similarity between the 'viscous skin drag' and 'heat conduction flux' associated with the discontinuous suspended phase, on the basis of a cell model. The theoretical predictions of attenuation spectra provide satisfactory agreement with reported experimental data on two concentrated suspensions (polystyrene latex and kaolin pigment), two concentrated emulsions (toluene -in-water, n-hexadecane-in-water), and two aerosols (oleic acid droplets-in-nitrogen, alumina-in-air), covering a wide range of relative magnitudes (from 10^ {-3} to 10^{3}) of thermal versus viscous contributions, for dispersed phase volume fractions as high as 50%. The relative differences between the additive result of separate viscous and thermal loss estimates and combined viscothermal absorption results are also presented. Effects of particle shape on viscous attenuation of sound in concentrated suspensions of non-spherical clay particles are studied. Attenuation spectra for 18 frequencies from 3 to 100 MHz are measured and analyzed for eleven kaolin clay slurries with solid concentrations ranging from 0.6% to 35% (w/w). A modified viscous drag coefficient that considers frequency, concentration, particle size, shape and orientation of spheroids, is developed and applied to estimate the viscous attenuation coefficients. With incorporation of particle size and shape distributions (PSSD), predictions agree quantitatively with observed attenuation coefficients. The effects of particle aspect ratio and orientation become more evident as particle concentrations and frequencies are increased. The UCPC model combined with the ultrasonic spectroscopy techniques can provide for theoretical and experimental frameworks in characterization of concentrated colloidal dispersions.

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

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.

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

A test for interfacial effects and stress transfer in ceramic matrix composites

NASA Technical Reports Server (NTRS)

1988-01-01

A test specimen was devised for measuring stress transfer between a high modulus fiber and a ceramic matrix. Single filaments of SiC were embedded in chemically vapor deposited SiC on a thin plate of molybdenum. The CVD overcoating which encapsulated the fiber was continuous with a coating of SiC on the molybdenum. When placed in a microtensile test device and loaded in the fiber direction, the fiber fracture characteristics provide information on the fiber/matrix adhesion and stress transfer. Problems were encountered due to the formation of a weak boundary between the SiC and the molybdenum which obviated any meaningful tensile tests. Also, the high CVD temperature used in fabricating these specimens restrict the fiber, matrix (and substrate) to materials having similar thermal coefficients of expansion in order to minimize thermal stresses.

Manufacturing Technology of Composite Materials—Principles of Modification of Polymer Composite Materials Technology Based on Polytetrafluoroethylene

PubMed Central

Panda, Anton; Dyadyura, Kostiantyn; Valíček, Jan; Harničárová, Marta; Zajac, Jozef; Modrák, Vladimír; Pandová, Iveta; Vrábel, Peter; Nováková-Marcinčínová, Ema; Pavelek, Zdeněk

2017-01-01

The results of the investigations into the technological formation of new wear-resistant polymer composites based on polytetrafluoroethylene (PTFE) filled with disperse synthetic and natural compounds are presented. The efficiency of using PTFE composites reinforced with carbon fibers depends on many factors, which influence the significant improvement of physicomechanical characteristics. The results of this research allow stating that interfacial and surface phenomena of the polymer–solid interface and composition play a decisive role in PTFE composites properties. Fillers hinder the relative movement of the PTFE molecules past one another and, in this way, reduce creep or deformation of the parts, reducing the wear rate of parts used in dynamic applications as well as the coefficient of thermal expansion. The necessary structural parameters of such polymer composites are provided by regimes of process equipment. PMID:28772733

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

Lutzer, B.; Simsek, S.; Zimmermann, C.

In order to improve the electrical behaviour of metal-insulator-metal capacitors with ZrO{sub 2} insulator grown by Atomic Layer Deposition, the influence of the insertion of interfacial Cr layers between Pt electrodes and the zirconia is investigated. An improvement of the α-voltage coefficient of capacitance as low as 567 ppm/V{sup 2} is achieved for a single layer of Cr while maintaining a high capacitance density of 10.7 fF/μm{sup 2} and a leakage current of less than 1.2 × 10{sup −8} A/cm{sup 2} at +1 V. The role of the interface is discussed by means of X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy showing themore » formation of Zr stabilized chromia oxide phase with a dielectric constant of 16.« less

Manufacturing Technology of Composite Materials-Principles of Modification of Polymer Composite Materials Technology Based on Polytetrafluoroethylene.

PubMed

Panda, Anton; Dyadyura, Kostiantyn; Valíček, Jan; Harničárová, Marta; Zajac, Jozef; Modrák, Vladimír; Pandová, Iveta; Vrábel, Peter; Nováková-Marcinčínová, Ema; Pavelek, Zdeněk

2017-03-31

The results of the investigations into the technological formation of new wear-resistant polymer composites based on polytetrafluoroethylene (PTFE) filled with disperse synthetic and natural compounds are presented. The efficiency of using PTFE composites reinforced with carbon fibers depends on many factors, which influence the significant improvement of physicomechanical characteristics. The results of this research allow stating that interfacial and surface phenomena of the polymer-solid interface and composition play a decisive role in PTFE composites properties. Fillers hinder the relative movement of the PTFE molecules past one another and, in this way, reduce creep or deformation of the parts, reducing the wear rate of parts used in dynamic applications as well as the coefficient of thermal expansion. The necessary structural parameters of such polymer composites are provided by regimes of process equipment.

Preparation of Pickering emulsions stabilized by metal organic frameworks using oscillatory woven metal micro-screen.

PubMed

Sabouni, R; Gomaa, H G

2015-06-14

Uniform Pickering emulsions stabilized by metal organic frameworks (MOFs) MIL-101 and ZIF-8 nanoparticles (NPs) were successfully prepared using an oscillatory woven metal microscreen (WMMS) emulsification system in the presence and the absence of surfactants. The effects of operating and system parameters including the frequency and amplitude of oscillation, the type of nano-particle and/or surfactant on the droplet size and coefficient of variance of the prepared emulsions are investigated. The results showed that both the hydrodynamics of the system and the hydrophobic/hydrophilic nature of the NP influenced the interfacial properties of the oil-water interface during droplet formation and after detachment, which in turn affected the final droplet size and distribution. Comparison between the measured and predicted droplet size using a simple torque balance (TB) model is discussed.

Thermocapillary convection in two immiscible liquid layers with free surface

NASA Technical Reports Server (NTRS)

Doi, Takao; Koster, Jean N.

1993-01-01

Thermocapillary convection is studied in two immiscible liquid layers with one free surface, one liquid/liquid interface, and differential heating applied parallel to the interfaces. An analytical solution is introduced for infinite horizontal layers. The defining parameter for the flow pattern is lambda, the ratio of the temperature coefficient of the interfacial tension to that of the surface tension. Four different flow patterns exist under zero gravity conditions. 'Halt' conditions which halt the fluid motion in the lower encapsulated liquid layer have been found. A numerical experiment is carried out to study effects of vertical end walls on the double layer convection in a 2D cavity. The halt condition obtained from the analytical study is found to be valid in the limit of small Reynolds numbers. The flow in the encapsulated liquid layer can be suppressed substantially.

Crystallization tendencies of modelled Lennard-Jones liquids with different attractions

NASA Astrophysics Data System (ADS)

Valdès, L.-C.; Gerges, J.; Mizuguchi, T.; Affouard, F.

2018-01-01

Molecular dynamics simulations are performed on simple models composed of monoatomic Lennard-Jones atoms for which the repulsive interaction is the same but the attractive part is tuned. We investigate the precise role of the attractive part of the interaction potential on different structural, dynamical, and thermodynamical properties of these systems in the liquid and crystalline states. It includes crystallization trends for which the main physical ingredients involved have been computed: the diffusion coefficient, the Gibbs energy difference between the liquid and the crystalline state, and the crystal-liquid interfacial free energy. Results are compared with predictions from the classical nucleation theory including transient and steady-state regimes at moderate and deeper undercooling. The question of the energetic and entropic impact of the repulsive and attractive part of the interaction potential towards crystallization is also addressed.

Tool to assess causality of direct and indirect adverse events associated with therapeutic interventions.

PubMed

Zorzela, Liliane; Mior, Silvano; Boon, Heather; Gross, Anita; Yager, Jeromy; Carter, Rose; Vohra, Sunita

2018-03-01

To develop and test a tool to assess the causality of direct and indirect adverse events associated with therapeutic interventions. The intervention was one or more drugs and/or natural health products, a device, or practice (professional delivering the intervention). Through the assessment of causality of adverse events, we can learn about factors contributing to the harm and consider what modification may prevent its reoccurrence. Existing scales (WHO-UMC, Naranjo and Horn) were adapted to develop a tool (algorithm and table) to evaluate cases of serious harmful events reported through a national surveillance study. We also incorporated a novel approach that assesses indirect harm (caused by the delay in diagnosis/treatment) and the health provider delivering the intervention (practice). The tool was tested, revised and then implemented to assess all reported cases of serious events resulting from use of complementary therapies. The use of complementary therapies was the trigger to report the event. Each case was evaluated by two assessors, out of a panel of five, representing different health care professionals. The tool was used in assessment of eight serious adverse events. Each event was independently evaluated by two assessors. The algorithm facilitated assessment of a serious direct or indirect harm. Assessors agreed in the final score on seven of eight cases (weighted kappa coefficient of 0.75). A tool to support the assessment of causality of adverse events was developed and tested. We propose a novel method to assess direct and indirect harms related to product(s), device(s), practice or a combination of the previous. Further research will probably help evaluate this approach across different settings and interventions.

Electric Power Consumption Coefficients for U.S. Industries: Regional Estimation and Analysis

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

Boero, Riccardo

Economic activity relies on electric power provided by electrical generation, transmission, and distribution systems. This paper presents a method developed at Los Alamos National Laboratory to estimate electric power consumption by different industries in the United States. Results are validated through comparisons with existing literature and benchmarking data sources. We also discuss the limitations and applications of the presented method, such as estimating indirect electric power consumption and assessing the economic impact of power outages based on input-output economic models.

Worldwide data sets constrain the water vapor uptake coefficient in cloud formation

PubMed Central

Raatikainen, Tomi; Nenes, Athanasios; Seinfeld, John H.; Morales, Ricardo; Moore, Richard H.; Lathem, Terry L.; Lance, Sara; Padró, Luz T.; Lin, Jack J.; Cerully, Kate M.; Bougiatioti, Aikaterini; Cozic, Julie; Ruehl, Christopher R.; Chuang, Patrick Y.; Anderson, Bruce E.; Flagan, Richard C.; Jonsson, Haflidi; Mihalopoulos, Nikos; Smith, James N.

2013-01-01

Cloud droplet formation depends on the condensation of water vapor on ambient aerosols, the rate of which is strongly affected by the kinetics of water uptake as expressed by the condensation (or mass accommodation) coefficient, αc. Estimates of αc for droplet growth from activation of ambient particles vary considerably and represent a critical source of uncertainty in estimates of global cloud droplet distributions and the aerosol indirect forcing of climate. We present an analysis of 10 globally relevant data sets of cloud condensation nuclei to constrain the value of αc for ambient aerosol. We find that rapid activation kinetics (αc > 0.1) is uniformly prevalent. This finding resolves a long-standing issue in cloud physics, as the uncertainty in water vapor accommodation on droplets is considerably less than previously thought. PMID:23431189

Worldwide data sets constrain the water vapor uptake coefficient in cloud formation.

PubMed

Raatikainen, Tomi; Nenes, Athanasios; Seinfeld, John H; Morales, Ricardo; Moore, Richard H; Lathem, Terry L; Lance, Sara; Padró, Luz T; Lin, Jack J; Cerully, Kate M; Bougiatioti, Aikaterini; Cozic, Julie; Ruehl, Christopher R; Chuang, Patrick Y; Anderson, Bruce E; Flagan, Richard C; Jonsson, Haflidi; Mihalopoulos, Nikos; Smith, James N

2013-03-05

Cloud droplet formation depends on the condensation of water vapor on ambient aerosols, the rate of which is strongly affected by the kinetics of water uptake as expressed by the condensation (or mass accommodation) coefficient, αc. Estimates of αc for droplet growth from activation of ambient particles vary considerably and represent a critical source of uncertainty in estimates of global cloud droplet distributions and the aerosol indirect forcing of climate. We present an analysis of 10 globally relevant data sets of cloud condensation nuclei to constrain the value of αc for ambient aerosol. We find that rapid activation kinetics (αc > 0.1) is uniformly prevalent. This finding resolves a long-standing issue in cloud physics, as the uncertainty in water vapor accommodation on droplets is considerably less than previously thought.

Recovery of the parameters of cancellous bone by inversion of effective velocities, and transmission and reflection coefficients

NASA Astrophysics Data System (ADS)

Buchanan, James L.; Gilbert, Robert P.; Ou, Miao-jung Y.

2011-12-01

Estimating the parameters of an elastic or poroelastic medium from reflected or transmitted acoustic data is an important but difficult problem. Use of the Nelder-Mead simplex method to minimize an objective function measuring the discrepancy between some observable and its value calculated from a model for a trial set of parameters has been tried by several authors. In this paper, the difficulty with this direct approach, which is the existence of numerous local minima of the objective function, is documented for the in vitro experiment in which a specimen in a water tank is subject to an ultrasonic pulse. An indirect approach, based on the numerical solution of the equations for a set of ‘effective’ velocities and transmission coefficients, is then observed empirically to ameliorate the difficulties posed by the direct approach.

Racial residential segregation and preterm birth: built environment as a mediator.

PubMed

Anthopolos, Rebecca; Kaufman, Jay S; Messer, Lynne C; Miranda, Marie Lynn

2014-05-01

Racial residential segregation has been associated with preterm birth. Few studies have examined mediating pathways, in part because, with binary outcomes, indirect effects estimated from multiplicative models generally lack causal interpretation. We develop a method to estimate additive-scale natural direct and indirect effects from logistic regression. We then evaluate whether segregation operates through poor-quality built environment to affect preterm birth. To estimate natural direct and indirect effects, we derive risk differences from logistic regression coefficients. Birth records (2000-2008) for Durham, North Carolina, were linked to neighborhood-level measures of racial isolation and a composite construct of poor-quality built environment. We decomposed the total effect of racial isolation on preterm birth into direct and indirect effects. The adjusted total effect of an interquartile increase in racial isolation on preterm birth was an extra 27 preterm events per 1000 births (risk difference = 0.027 [95% confidence interval = 0.007 to 0.047]). With poor-quality built environment held at the level it would take under isolation at the 25th percentile, the direct effect of an interquartile increase in isolation was 0.022 (-0.001 to 0.042). Poor-quality built environment accounted for 35% (11% to 65%) of the total effect. Our methodology facilitates the estimation of additive-scale natural effects with binary outcomes. In this study, the total effect of racial segregation on preterm birth was partially mediated by poor-quality built environment.

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

Effect of hydrostatic pressure on water penetration and rotational dynamics in phospholipid-cholesterol bilayers.

PubMed Central

Bernsdorff, C; Wolf, A; Winter, R; Gratton, E

1997-01-01

The effect of high hydrostatic pressure on the lipid bilayer hydration, the mean order parameter, and rotational dynamics of 1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC) and 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) cholesterol vesicles has been studied by time-resolved fluorescence spectroscopy up to 1500 bar. Whereas the degree of hydration in the lipid headgroup and interfacial region was assessed from fluorescence lifetime data using the probe 1-(4-trimethylammonium-phenyl)-6-phenyl-1,3,5-hexatriene (TMA-DPH), the corresponding information in the upper acyl chain region was estimated from its effect on the fluorescence lifetime of and 3-(diphenylhexatrienyl)propyl-trimethylammonium (TMAP-DPH). The lifetime data indicate a greater level of interfacial hydration for DPPC bilayers than for POPC bilayers, but there is no marked difference in interchain hydration of the two bilayer systems. The addition of cholesterol at levels from 30 to 50 mol% to DPPC has a greater effect on the increase of hydrophobicity in the interfacial region of the bilayer than the application of hydrostatic pressure of several hundred to 1000 bar. Although the same trend is observed in the corresponding system, POPC/30 mol% cholesterol, the observed effects are markedly less pronounced. Whereas the rotational correlation times of the fluorophores decrease in passing the pressure-induced liquid-crystalline to gel phase transition of DPPC, the wobbling diffusion coefficient remains essentially unchanged. The wobbling diffusion constant of the two fluorophores changes markedly upon incorporation of 30 mol% cholesterol, and increases at higher pressures, also in the case of POPC/30 mol% cholesterol. The observed effects are discussed in terms of changes in the rotational characteristics of the fluorophores and the phase-state of the lipid mixture. The results demonstrate the ability of cholesterol to adjust the structural and dynamic properties of membranes composed of different phospholipid components, and to efficiently regulate the motional freedom and hydrophobicity of membranes, so that they can withstand even drastic changes in environmental conditions, such as high external hydrostatic pressure. PMID:9138572

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.

Reflection coefficients of permeant molecules in human red cell suspensions.

PubMed

Owen, J D; Eyring, E M

1975-08-01

The Staverman reflection coefficient, sigma for several permeant molecules was determined in human red cell suspensions with a Durrum stopped-flow spectrophotometer. This procedure was first used with dog, cat, and beef red cells and with human red cells. The stopped-flow technique used was similar to the rapid-flow method used by those who originally reported sigma measurements in human red cells for molecules which rapidly penetrate the red cell membrane. The sigma values we obtained agreed with those previously reported for most of the slow penetrants, except malonamide, but disagreed with all the sigma values previously reported for the rapid penetrants. We were unable to calculate an "equivalent pore radius" with our sigma data. The advantages of our equipment and our experimental procedure are discussed. Our sigma data suggest that sigma is indirectly proportional to the log of the nonelectrolyte permeability coefficient, omega. Since a similar trend has been previously shown for log omega and molar volume of the permeant molecules, a correlatioo was shown between sigma and molar volume suggesting the membrane acts as a sieve.

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.

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.

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.

Beyond the income inequality hypothesis and human health: a worldwide exploration.

PubMed

Idrovo, Alvaro J; Ruiz-Rodríguez, Myriam; Manzano-Patiño, Abigail P

2010-08-01

To analyze whether the relationship between income inequality and human health is mediated through social capital, and whether political regime determines differences in income inequality and social capital among countries. Path analysis of cross sectional ecological data from 110 countries. Life expectancy at birth was the outcome variable, and income inequality (measured by the Gini coefficient), social capital (measured by the Corruption Perceptions Index or generalized trust), and political regime (measured by the Index of Freedom) were the predictor variables. Corruption Perceptions Index (an indirect indicator of social capital) was used to include more developing countries in the analysis. The correlation between Gini coefficient and predictor variables was calculated using Spearman's coefficients. The path analysis was designed to assess the effect of income inequality, social capital proxies and political regime on life expectancy. The path coefficients suggest that income inequality has a greater direct effect on life expectancy at birth than through social capital. Political regime acts on life expectancy at birth through income inequality. Income inequality and social capital have direct effects on life expectancy at birth. The "class/welfare regime model" can be useful for understanding social and health inequalities between countries, whereas the "income inequality hypothesis" which is only a partial approach is especially useful for analyzing differences within countries.

Effect of Interfacial Molecular Orientation on Power Conversion Efficiency of Perovskite Solar Cells.

PubMed

Xiao, Minyu; Joglekar, Suneel; Zhang, Xiaoxian; Jasensky, Joshua; Ma, Jialiu; Cui, Qingyu; Guo, L Jay; Chen, Zhan

2017-03-08

A wide variety of charge carrier dynamics, such as transport, separation, and extraction, occur at the interfaces of planar heterojunction solar cells. Such factors can affect the overall device performance. Therefore, understanding the buried interfacial molecular structure in various devices and the correlation between interfacial structure and function has become increasingly important. Current characterization techniques for thin films such as X-ray diffraction, cross section scanning electronmicroscopy, and UV-visible absorption spectroscopy are unable to provide the needed molecular structural information at buried interfaces. In this study, by controlling the structure of the hole transport layer (HTL) in a perovskite solar cell and applying a surface/interface-sensitive nonlinear vibrational spectroscopic technique (sum frequency generation vibrational spectroscopy (SFG)), we successfully probed the molecular structure at the buried interface and correlated its structural characteristics to solar cell performance. Here, an edge-on (normal to the interface) polythiophene (PT) interfacial molecular orientation at the buried perovskite (photoactive layer)/PT (HTL) interface showed more than two times the power conversion efficiency (PCE) of a lying down (tangential) PT interfacial orientation. The difference in interfacial molecular structure was achieved by altering the alkyl side chain length of the PT derivatives, where PT with a shorter alkyl side chain showed an edge-on interfacial orientation with a higher PCE than that of PT with a longer alkyl side chain. With similar band gap alignment and bulk structure within the PT layer, it is believed that the interfacial molecular structural variation (i.e., the orientation difference) of the various PT derivatives is the underlying cause of the difference in perovskite solar cell PCE.

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%.

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

NASA Astrophysics Data System (ADS)

Sakhavand, Navid; Shahsavari, Rouzbeh

2018-01-01

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

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.

The importance of experimental design on measurement of dynamic interfacial tension and interfacial rheology in diffusion-limited surfactant systems

DOE PAGES

Reichert, Matthew D.; Alvarez, Nicolas J.; Brooks, Carlton F.; ...

2014-09-24

Pendant bubble and drop devices are invaluable tools in understanding surfactant behavior at fluid–fluid interfaces. The simple instrumentation and analysis are used widely to determine adsorption isotherms, transport parameters, and interfacial rheology. However, much of the analysis performed is developed for planar interfaces. Moreover, the application of a planar analysis to drops and bubbles (curved interfaces) can lead to erroneous and unphysical results. We revisit this analysis for a well-studied surfactant system at air–water interfaces over a wide range of curvatures as applied to both expansion/contraction experiments and interfacial elasticity measurements. The impact of curvature and transport on measured propertiesmore » is quantified and compared to other scaling relationships in the literature. Our results provide tools to design interfacial experiments for accurate determination of isotherm, transport and elastic properties.« less

Multilayer moisture barrier

DOEpatents

Pankow, Joel W; Jorgensen, Gary J; Terwilliger, Kent M; Glick, Stephen H; Isomaki, Nora; Harkonen, Kari; Turkulainen, Tommy

2015-04-21

A moisture barrier, device or product having a moisture barrier or a method of fabricating a moisture barrier having at least a polymer layer, and interfacial layer, and a barrier layer. The polymer layer may be fabricated from any suitable polymer including, but not limited to, fluoropolymers such as polyethylene terephthalate (PET) or polyethylene naphthalate (PEN), or ethylene-tetrafluoroethylene (ETFE). The interfacial layer may be formed by atomic layer deposition (ALD). In embodiments featuring an ALD interfacial layer, the deposited interfacial substance may be, but is not limited to, Al.sub.2O.sub.3, AlSiO.sub.x, TiO.sub.2, and an Al.sub.2O.sub.3/TiO.sub.2 laminate. The barrier layer associated with the interfacial layer may be deposited by plasma enhanced chemical vapor deposition (PECVD). The barrier layer may be a SiO.sub.xN.sub.y film.

Origin of the sphere-to-rod transition in cationic micelles with aromatic counterions: specific ion hydration in the interfacial region matters.

PubMed

Geng, Yan; Romsted, Laurence S; Froehner, Sandro; Zanette, Dino; Magid, Linda J; Cuccovia, Iolanda M; Chaimovich, Hernan

2005-01-18

Sphere-to-rod transitions of cetyltrimethylammonium (CTA+) micelles with dichlorobenzoate counterions are remarkably substituent dependent. Simultaneous estimates of the interfacial molarities of H2O, MeOH, and Cl- and 2,6- and 3,5-dichlorobenzoate (2,6OBz and 3,5OBz) counterions were obtained by the chemical trapping method in mixed micelles of CTACl/CTA3,5OBz and CTACl/CTA2,6OBz without added salt. Increasing the CTA3,5OBz mole fraction produces a marked concurrent increase in interfacial 3,5OBz- and a decrease in interfacial H2O concentrations through the sphere-to-rod transition. No abrupt concentration changes are observed with increasing CTA2,6OBz mole fraction. Counterion-specific changes in the interfacial water concentration may be a major contributor to the delicate balance of forces governing micellar morphology.

Computational Modeling of Interfacial Behaviors in Nanocomposite Materials

PubMed Central

Lin, Liqiang; Wang, Xiaodu; Zeng, Xiaowei

2017-01-01

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

Engineering Pt/Pd Interfacial Electronic Structures for Highly Efficient Hydrogen Evolution and Alcohol Oxidation.

PubMed

Fan, Jinchang; Qi, Kun; Zhang, Lei; Zhang, Haiyan; Yu, Shansheng; Cui, Xiaoqiang

2017-05-31

Tailoring the interfacial structure of Pt-based catalysts has emerged as an effective strategy to improve catalytic activity. However, little attention has been focused on investigating the relationship between the interfacial facets and their catalytic activity. Here, we design and implement Pd-Pt interfaces with controlled heterostructure features by epitaxially growing Pt nanoparticles on Pd nanosheets. On the basis of both density functional theory calculation and experimental results, we demonstrate that charge transfer from Pd to Pt is highly dependent on the interfacial facets of Pd substrates. Therefore, the Pd-Pt heterostructure with Pd(100)-Pt interface exhibits excellent activity and long-term stability for hydrogen evolution and methanol/ethanol oxidation reactions in alkaline medium, much better than that with Pd (111)-Pt interface or commercial Pt/C. Interfacial crystal facet-dependent electronic structural modulation sheds a light on the design and investigation of new heterostructures for high-activity catalysts.

Nanowire membrane-based nanothermite: towards processable and tunable interfacial diffusion for solid state reactions.

PubMed

Yang, Yong; Wang, Peng-peng; Zhang, Zhi-cheng; Liu, Hui-ling; Zhang, Jingchao; Zhuang, Jing; Wang, Xun

2013-01-01

Interfacial diffusion is of great importance in determining the performance of solid-state reactions. For nanometer sized particles, some solid-state reactions can be triggered accidently by mechanical stress owing to their large surface-to-volume ratio compared with the bulk ones. Therefore, a great challenge is the control of interfacial diffusion for solid state reactions, especially for energetic materials. Here we demonstrate, through the example of nanowire-based thermite membrane, that the thermite solid-state reaction can be easily tuned via the introduction of low-surface-energy coating layer. Moreover, this silicon-coated thermite membrane exhibit controlled wetting behavior ranging from superhydrophilic to superhydrophobic and, simultaneously, to significantly reduce the friction sensitivity of thermite membrane. This effect enables to increase interfacial resistance by increasing the amount of coating material. Indeed, our results described here make it possible to tune the solid-state reactions through the manipulation of interfacial diffusion between the reactants.

Nanowire Membrane-based Nanothermite: towards Processable and Tunable Interfacial Diffusion for Solid State Reactions

NASA Astrophysics Data System (ADS)

Yang, Yong; Wang, Peng-Peng; Zhang, Zhi-Cheng; Liu, Hui-Ling; Zhang, Jingchao; Zhuang, Jing; Wang, Xun

2013-04-01

Interfacial diffusion is of great importance in determining the performance of solid-state reactions. For nanometer sized particles, some solid-state reactions can be triggered accidently by mechanical stress owing to their large surface-to-volume ratio compared with the bulk ones. Therefore, a great challenge is the control of interfacial diffusion for solid state reactions, especially for energetic materials. Here we demonstrate, through the example of nanowire-based thermite membrane, that the thermite solid-state reaction can be easily tuned via the introduction of low-surface-energy coating layer. Moreover, this silicon-coated thermite membrane exhibit controlled wetting behavior ranging from superhydrophilic to superhydrophobic and, simultaneously, to significantly reduce the friction sensitivity of thermite membrane. This effect enables to increase interfacial resistance by increasing the amount of coating material. Indeed, our results described here make it possible to tune the solid-state reactions through the manipulation of interfacial diffusion between the reactants.

Interfacial activity of acid functionalized single-walled carbon nanotubes (SWCNTs) at the fluid-fluid interface

NASA Astrophysics Data System (ADS)

Feng, Tao; Russell, Thomas; Hoagland, David

2013-03-01

Interfacial assembly of acid-functionalized single-walled carbon nanotubes at the oil/water interface is achieved by the addition of low molecular weight (MW) amino-terminated polystyrene in the oil phase. The surface activity of carboxylated SWCNTs is strongly influenced by the end-group chemistry and molecular weight of the polystyrene component, the concentrations of this component and the SWCNTs, along with the degree of functionalization of the SWCNTs. The prerequisites for interfacial trapping are amino termini on chains with MW less than 5K and 6 hours or longer incubation of pristine SWCNTs to achieve their carboxylation. Plummets in interfacial tension resembling those for surfactants were observed at critical bulk concentrations of both SWCNTs and PS-NH2. In dried droplets, SWCNTs densely packed with associated PS-NH2 form a bird nest-like interfacial structure, with the SWCNTs preferentially oriented perpendicular to the original interface. Advisor

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

PubMed

Shin, Sucheol; Willard, Adam P

2018-06-05

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

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Hofmeister effect on the interfacial free energy of aliphatic and aromatic surfaces studied by chemical force microscopy.

PubMed

Patete, Jonathan; Petrofsky, John M; Stepan, Jeffery; Waheed, Abdul; Serafin, Joseph M

2009-01-15

This work describes chemical force microscopy (CFM) studies of specific-ion effects on the aqueous interfacial free energy of hydrophobic monolayers. CFM measurements allow for the characterization of interfacial properties on length scales below 100 nm. The ions chosen span the range of the Hofmeister series, from the kosmotropic Na(2)SO(4) to the chaotropic NaSCN. The salt concentrations used are typical of many laboratory processes such as protein crystallization, 2-3 M. Both aliphatic (terminal methyl) and aromatic (terminal phenyl) monolayers were examined, and rather pronounced differences were observed between the two cases. The specific-ion dependence of the aliphatic monolayer closely follows the Hofmeister series, namely the chaotropic ions lowered the interfacial free energy and the kosmotropic ions increased the interfacial free energy. However, the aromatic monolayer had significant deviations from the Hofmeister series. Possible origins for this difference are discussed.

Unexpected molecular weight effect in polymer nanocomposites

DOE PAGES

Cheng, Shiwang; Holt, Adam P.; Wang, Huiqun; ...

2016-01-22

Here, the properties of the interfacial layer between the polymer matrix and nanoparticles largely determine the macroscopic properties of polymer nanocomposites (PNCs). Although the static thickness of the interfacial layer was found to increase with the molecular weight (MW), the influence of MW on segmental relaxation and the glass transition in this layer remains to be explored. In this Letter, we show an unexpected MW dependence of the interfacial properties in PNC with attractive polymer-nanoparticle interactions: the thickness of the interfacial layer with hindered segmental relaxation decreases as MW increases, in sharp constrast to theoretical predictions. Further analyses reveal amore » reduction in mass density of the interfacial layer with increasing MW, which can explain these unexpected dynamic effects. Our observations call for a significant revision of the current understandings of PNCs and suggest interesting ways to tailor their properties.« less

Significant role of antiferromagnetic GdFeO3 on multiferroism of bilayer thin films

NASA Astrophysics Data System (ADS)

Shah, Jyoti; Bhatt, Priyanka; Dayas, K. Diana Diana; Kotnala, R. K.

2018-02-01

Inversion of BaTiO3 and GdFeO3 thin films in bilayer configuration has been deposited by pulsed laser deposition technique. A significant effect of strain on thin film has been observed by X-ray diffraction analysis. Tensile strain of 1.04% and 0.23% has been calculated by X-ray diffraction results. Higher polarization value 70.4 μC cm-2 has been observed by strained BaTiO3 film in GdFeO3/BaTiO3 bilayer film. Strained GdFeO3 film in BaTiO3/GdFeO3 bilayer configuration exhibited ferromagnetic behaviour showed maximum magnetization value of 50 emu gm-1. Magnetoelectric coupling coefficient of bilayer films have been carried out by dynamic method. Room temperature magnetoelectric coupling 2500 mV cm-1-Oe has been obtained for BaTiO3/GdFeO3 bilayer film. The high ME coupling of the BaTiO3/GdFeO3 bilayer film reveals strong interfacial coupling between ferroelectric and ferromagnetic dipoles. On magnetoelectric coupling coefficient effect of ferromagnetic GdFeO3 layer has a significant role. Such high value of ME coupling may be useful in realization of magnetoelectric RAM (MeRAM) application.

Bandlike Transport in Ferroelectric-Based Organic Field-Effect Transistors

NASA Astrophysics Data System (ADS)

Laudari, A.; Guha, S.

2016-10-01

The dielectric constant of polymer-ferroelectric dielectrics may be tuned by changing the temperature, offering a platform for monitoring changes in interfacial transport with the polarization strength in organic field-effect transistors (FETs). Temperature-dependent transport studies of FETs are carried out from a solution-processed organic semiconductor, 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene), using both ferroelectric- and nonferroelectric-gate insulators. Nonferroelectric dielectric-based TIPS-pentacene FETs show a clear activated transport, in contrast to the ferroelectric dielectric polymer, poly(vinylidene fluoride-trifluoroethylene), where a negative temperature coefficient of the mobility is observed in the ferroelectric temperature range. The current-voltage (I -V ) characteristics from TIPS-pentacene diodes signal a space-charge-limited conduction (SCLC) for a discrete set of trap levels, suggesting that charge injection and transport occurs through regions of ordering in the semiconductor. The carrier mobility extracted from temperature-dependent I -V characteristics from the trap-free SCLC region shows a negative coefficient beyond 200 K, similar to the trend observed in FETs with the ferroelectric dielectric. At moderate temperatures, the polarization-fluctuation-dominant transport inherent in a ferroelectric dielectric, in conjunction with the nature of traps, results in an effective detrapping of the shallow-trap states into more mobile states in TIPS-pentacene.

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.

The effect of community stress and problems on psychopathology: A structural equation modeling study.

PubMed

Lyu, Juncheng; Shi, Hong; Wang, Suzhen; Zhang, Jie

2016-02-01

This research aimed to estimate the effect of perceived social factors in the community stress and problems on the residents' psychopathology such as depression and suicidal behaviors. Subjects of this study were the informants (N=1618) in a psychological autopsy (PA) study with a case-control design. We interviewed two informants (a family member and a close friend) for 392 suicides and 416 living controls, which came from 16 rural counties randomly selected from three provinces of China. Community stress and problems were measured by the WHO SUPRE-MISS scale. Depression was measured by CES-D scale, and suicidal behavior was assessed by NCS-R scale. Multivariable liner and logistic regression models and the Structural Equation Modeling (SEM) were applied to probe the correlation of the depression and the suicidal behaviors with some major demographic variables as covariates. It was found that community stress and problems were directly associated with rural Chinese residents' depression (Path coefficient=0.127, P<0.001). There was no direct correlation between community stress and problem and suicidal behaviors, but community stress and problem can affect suicidal behaviors indirectly through depression. The path coefficient between depression and suicidal behaviors was 0.975. The current study predicts a new research viewpoint, that is, the depression is the intermediate between community stress and problem and suicidal behaviors. It might be an effective route to prevent depression directly and suicidal behaviors indirectly by reducing the community stress and problems. Copyright © 2015 Elsevier Inc. All rights reserved.

Theoretical study of radiative electron attachment to CN, C{sub 2}H, and C{sub 4}H radicals

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

Douguet, Nicolas; Fonseca dos Santos, S.; Orel, Ann E.

A first-principle theoretical approach to study the process of radiative electron attachment is developed and applied to the negative molecular ions CN{sup −}, C{sub 4}H{sup −}, and C{sub 2}H{sup −}. Among these anions, the first two have already been observed in the interstellar space. Cross sections and rate coefficients for formation of these ions by direct radiative electron attachment to the corresponding neutral radicals are calculated. For the CN molecule, we also considered the indirect pathway, in which the electron is initially captured through non-Born-Oppenheimer coupling into a vibrationally resonant excited state of the anion, which then stabilizes by radiativemore » decay. We have shown that the contribution of the indirect pathway to the formation of CN{sup −} is negligible in comparison to the direct mechanism. The obtained rate coefficients for the direct mechanism at 30 K are 7 × 10{sup −16} cm{sup 3}/s for CN{sup −}, 7 × 10{sup −17} cm{sup 3}/s for C{sub 2}H{sup −}, and 2 × 10{sup −16} cm{sup 3}/s for C{sub 4}H{sup −}. These rates weakly depend on temperature between 10 K and 100 K. The validity of our calculations is verified by comparing the present theoretical results with data from recent photodetachment experiments.« less

Is intra-bladder pressure measurement a reliable indicator for raised intra-abdominal pressure? A prospective comparative study.

PubMed

Al-Abassi, Abdulla Ahmed; Al Saadi, Azan Saleh; Ahmed, Faisal

2018-06-19

Intra-abdominal pressure (IAP) can be measured by several indirect methods; however, the urinary bladder is largely preferred. The aim of this study was to compare intra-bladder pressure (IBP) at different levels of IAPs and assess its reliability as an indirect method for IAP measurement. We compared IBP with IAP in twenty-one patients undergoing laparoscopic cholecystectomy under general anesthesia. Measurements were recorded at increasing levels of insufflation pressures to approximately 22 mmHg. Pearson's correlation coefficient was calculated to establish the relationship between the two pressure measurements and Bland-Altman analysis was used to assess the limits of agreement between the two methods of measurements. The urinary bladder pressures reflected well the pressures in the abdominal cavity. Pearson correlation coefficient showed a good correlation between the two measurement techniques (r = 0.966, p < 0.0001) and Bland-Altman analysis indicated that the 95% limits of agreement between the two methods ranged from - 2.83 to 2.64. This range is accepted both clinically and according to the recommendations of the World Society of Abdominal Compartment Syndrome (WSACS). Our study showed that IBP measurement is a simple, minimally invasive method that may reliably estimates IAP in patients placed in supine position. Measurements for pressures higher than 12 mmHg may be less reliable. When applied clinically, this should alert the clinician to take safety measures to avoid abdominal compartment syndrome (ACS).

Coherent entropy induced and acoustic noise separation in compact nozzles

NASA Astrophysics Data System (ADS)

Tao, Wenjie; Schuller, Thierry; Huet, Maxime; Richecoeur, Franck

2017-04-01

A method to separate entropy induced noise from an acoustic pressure wave in an harmonically perturbed flow through a nozzle is presented. It is tested on an original experimental setup generating simultaneously acoustic and temperature fluctuations in an air flow that is accelerated by a convergent nozzle. The setup mimics the direct and indirect noise contributions to the acoustic pressure field in a confined combustion chamber by producing synchronized acoustic and temperature fluctuations, without dealing with the complexity of the combustion process. It allows generating temperature fluctuations with amplitude up to 10 K in the frequency range from 10 to 100 Hz. The noise separation technique uses experiments with and without temperature fluctuations to determine the relative level of acoustic and entropy fluctuations in the system and to identify the nozzle response to these forcing waves. It requires multi-point measurements of acoustic pressure and temperature. The separation method is first validated with direct numerical simulations of the nonlinear Euler equations. These simulations are used to investigate the conditions for which the separation technique is valid and yield similar trends as the experiments for the investigated flow operating conditions. The separation method then gives successfully the acoustic reflection coefficient but does not recover the same entropy reflection coefficient as predicted by the compact nozzle theory due to the sensitivity of the method to signal noises in the explored experimental conditions. This methodology provides a framework for experimental investigation of direct and indirect combustion noises originating from synchronized perturbations.

Social relationships and health: the relative roles of family functioning and social support.

PubMed

Franks, P; Campbell, T L; Shields, C G

1992-04-01

The associations between social relationships and health have been examined using two major research traditions. Using a social epidemiological approach, much research has shown the beneficial effect of social supports on health and health behaviors. Family interaction research, which has grown out of a more clinical tradition, has shown the complex effects of family functioning on health, particularly mental health. No studies have examined the relative power of these two approaches in explicating the connections between social relationships and health. We hypothesized that social relationships (social support and family functioning) would exert direct and indirect (through depressive symptoms) effects on health behaviors. We also hypothesized that the effects of social relationships on health would be more powerfully explicated by family functioning than by social support. We mailed a pilot survey to a random sample of patients attending a family practice center, including questions on depressive symptoms, cardiovascular health behaviors, demographics, social support using the ISEL scale, and family functioning using the FEICS scale. FEICS is a self-report questionnaire designed to assess family emotional involvement and criticism, the media elements of family expressed emotion. Eighty-three useable responses were obtained. Regression analyses and structural modelling showed both direct and indirect statistically significant paths from social relationships to health behaviors. Family criticism was directly associated (standardized coefficient = 0.29) with depressive symptoms, and family emotional involvement was directly associated with both depressive symptoms (coefficient = 0.35) and healthy cardiovascular behaviors (coefficient = 0.32). The results support the primacy of family functioning factors in understanding the associations among social relationships, mental health, and health behaviors. The contrasting relationships between emotional involvement and depressive symptoms on the one hand and emotional involvement and health behaviors on the other suggest the need for a more complex model to understand the connections between social relationships and health.

Organic photovoltaic device with interfacial layer and method of fabricating same

DOEpatents

Marks, Tobin J.; Hains, Alexander W.

2013-03-19

An organic photovoltaic device and method of forming same. In one embodiment, the organic photovoltaic device has an anode, a cathode, an active layer disposed between the anode and the cathode; and an interfacial layer disposed between the anode and the active layer, the interfacial layer comprising 5,5'-bis[(p-trichlorosilylpropylphenyl)phenylamino]-2,2'-bithiophene (PABTSi.sub.2).

General theories and features of interfacial thermal transport

NASA Astrophysics Data System (ADS)

Zhou, Hangbo; Zhang, Gang

2018-03-01

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

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

NASA Astrophysics Data System (ADS)

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

2014-05-01

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

Low energy dislocation structures in epitaxy

NASA Technical Reports Server (NTRS)

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

1986-01-01

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

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

PubMed Central

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

2014-01-01

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

Shape dependence of slip length on patterned hydrophobic surfaces

NASA Astrophysics Data System (ADS)

Gu, Xiaokun; Chen, Min

2011-08-01

The effects of solid-liquid interfacial shape on the boundary velocity slip of patterned hydrophobic surfaces are investigated. The scaling law in literature is extended to demonstrate the role of such shape, indicating a decrease of the effective slip length with increasing interfacial roughness. A patterned surface with horizontally aligned carbon nanotube arrays reaches an effective slip length of 83 nm, by utilizing large intrinsic slippage of carbon nanotube while keeping away from the negative effects of interfacial curvature through the flow direction. The results emphasize the importance of avoiding the solid-liquid interfacial roughness in low-friction patterned surface design and manufacture.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches

NASA Astrophysics Data System (ADS)

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-01

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the ‘pseudo-interfacial energy’ that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

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

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

Roar Skartlien; Espen Sollum; Andreas Akselsen

2012-07-01

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

Pursuing Polymer Dielectric Interfacial Effect in Organic Transistors for Photosensing Performance Optimization.

PubMed

Wu, Xiaohan; Chu, Yingli; Liu, Rui; Katz, Howard E; Huang, Jia

2017-12-01

Polymer dielectrics in organic field-effect transistors (OFETs) are essential to provide the devices with overall flexibility, stretchability, and printability and simultaneously introduce charge interaction on the interface with organic semiconductors (OSCs). The interfacial effect between various polymer dielectrics and OSCs significantly and intricately influences device performance. However, understanding of this effect is limited because the interface is buried and the interfacial charge interaction is difficult to stimulate and characterize. Here, this challenge is overcome by utilizing illumination to stimulate the interfacial effect in various OFETs and to characterize the responses of the effect by measuring photoinduced changes of the OFETs performances. This systemic investigation reveals the mechanism of the intricate interfacial effect in detail, and mathematically explains how the photosensitive OFETs characteristics are determined by parameters including polar group of the polymer dielectric and the OSC side chain. By utilizing this mechanism, performance of organic electronics can be precisely controlled and optimized. OFETs with strong interfacial effect can also show a signal additivity caused by repeated light pulses, which is applicable for photostimulated synapse emulator. Therefore, this work enlightens a detailed understanding on the interface effect and provides novel strategies for optimizing OFET photosensory performances.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches.

PubMed

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-05

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the 'pseudo-interfacial energy' that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

Synthesis of colloidal metal nanocrystals in droplet reactors: the pros and cons of interfacial adsorption.

PubMed

Zhang, Lei; Wang, Yi; Tong, Limin; Xia, Younan

2014-07-09

Droplet reactors have received considerable attention in recent years as an alternative route to the synthesis and potentially high-volume production of colloidal metal nanocrystals. Interfacial adsorption will immediately become an important issue to address when one seeks to translate a nanocrystal synthesis from batch reactors to droplet reactors due to the involvement of higher surface-to-volume ratios for the droplets and the fact that nanocrystals tend to be concentrated at the water-oil interface. Here we report a systematic study to compare the pros and cons of interfacial adsorption of metal nanocrystals during their synthesis in droplet reactors. On the one hand, interfacial adsorption can be used to generate nanocrystals with asymmetric shapes or structures, including one-sixth-truncated Ag octahedra and Au-Ag nanocups. On the other hand, interfacial adsorption has to be mitigated to obtain nanocrystals with uniform sizes and controlled shapes. We confirmed that Triton X-100, a nonionic surfactant, could effectively alleviate interfacial adsorption while imposing no impact on the capping agent typically needed for a shape-controlled synthesis. With the introduction of a proper surfactant, droplet reactors offer an attractive platform for the continuous production of colloidal metal nanocrystals.

Surface modification of carbon fibers by a polyether sulfone emulsion sizing for increased interfacial adhesion with polyether sulfone

NASA Astrophysics Data System (ADS)

Yuan, Haojie; Zhang, Shouchun; Lu, Chunxiang

2014-10-01

Interests on carbon fiber-reinforced thermoplastic composites are growing rapidly, but the challenges with poor interfacial adhesion have slowed their adoption. In this work, a polyether sulfone (PES) emulsion sizing was prepared successfully for increased interfacial adhesion of carbon fiber/PES composites. To obtain a high-quality PES emulsion sizing, the key factor, emulsifier concentration, was studied by dynamic light scattering technique. The results demonstrated that the suitable weight ratio of PES to emulsifier was 8:3, and the resulting PES emulsion sizing had an average particle diameter of 117 nm and Zeta potential of -52.6 mV. After sizing, the surface oxygen-containing functional groups, free energy and wettability of carbon fibers increased significantly, which were advantageous to promote molecular-level contact between carbon fiber and PES. Finally, short beam shear tests were performed to evaluate the interfacial adhesion of carbon fiber/PES composites. The results indicated that PES emulsion sizing played a critical role for the enhanced interfacial adhesion in carbon fiber/PES composites, and a 26% increase of interlaminar shear strength was achieved, because of the improved fiber surface wettability and interfacial compatibility between carbon fiber and PES.

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

Surface force and vibrational spectroscopic analyses of interfacial water molecules in the vicinity of methoxy-tri(ethylene glycol)-terminated monolayers: mechanisms underlying the effect of lateral packing density on bioinertness.

PubMed

Sekine, Taito; Asatyas, Syifa; Sato, Chikako; Morita, Shigeaki; Tanaka, Masaru; Hayashi, Tomohiro

Unequivocal dependence of bioinertness of self-assembled monolayers of methoxy-tri(ethylene glycol)-terminated alkanethiol (EG3-OMe SAMs) on their packing density has been a mystery for more than two decades. We tackled this long-standing question by performing surface force and surface-enhanced infrared absorption (SEIRA) spectroscopic measurements. Our surface force measurements revealed a physical barrier of interfacial water in the vicinity of the Au-supported EG3-OMe SAM (low packing density), whereas the Ag-supported one (high packing density) did not possess such interfacial water. In addition, the results of SEIRA measurements clearly exhibited that hydrogen bonding states of the interfacial water differ depending on the substrates. We also characterized the bioinertness of these SAMs by protein adsorption tests and adhesion assays of platelet and human umbilical vein endothelial cells. The hydrogen bonding states of the interfacial water and water-induced interaction clearly correlated with the bioinertness of the SAMs, suggesting that the interfacial water plays an important role determining the interaction of the SAMs with biomolecules and cells.

Self-healing gold mirrors and filters at liquid-liquid interfaces

NASA Astrophysics Data System (ADS)

Smirnov, Evgeny; Peljo, Pekka; Scanlon, Micheál D.; Gumy, Frederic; Girault, Hubert H.

2016-03-01

The optical and morphological properties of lustrous metal self-healing liquid-like nanofilms were systematically studied for different applications (e.g., optical mirrors or filters). These nanofilms were formed by a one-step self-assembly methodology of gold nanoparticles (AuNPs) at immiscible water-oil interfaces, previously reported by our group. We investigated a host of experimental variables and herein report their influence on the optical properties of nanofilms: AuNP mean diameter, interfacial AuNP surface coverage, nature of the organic solvent, and nature of the lipophilic organic molecule that caps the AuNPs in the interfacial nanofilm. To probe the interfacial gold nanofilms we used in situ (UV-vis-NIR spectroscopy and optical microscopy) as well as ex situ (SEM and TEM of interfacial gold nanofilms transferred to silicon substrates) techniques. The interfacial AuNP surface coverage strongly influenced the morphology of the interfacial nanofilms, and in turn their maximum reflectance and absorbance. We observed three distinct morphological regimes; (i) smooth 2D monolayers of ``floating islands'' of AuNPs at low surface coverages, (ii) a mixed 2D/3D regime with the beginnings of 3D nanostructures consisting of small piles of adsorbed AuNPs even under sub-full-monolayer conditions and, finally, (iii) a 3D regime characterised by the 2D full-monolayer being covered in significant piles of adsorbed AuNPs. A maximal value of reflectance reached 58% in comparison with a solid gold mirror, when 38 nm mean diameter AuNPs were used at a water-nitrobenzene interface. Meanwhile, interfacial gold nanofilms prepared with 12 nm mean diameter AuNPs exhibited the highest extinction intensities at ca. 690 nm and absorbance around 90% of the incident light, making them an attractive candidate for filtering applications. Furthermore, the interparticle spacing, and resulting interparticle plasmon coupling derived optical properties, varied significantly on replacing tetrathiafulvalene with neocuproine as the AuNP capping ligand in the nanofilm. These interfacial nanofilms formed with neocuproine and 38 nm mean diameter AuNPs, at monolayer surface coverages and above, were black due to aggregation and broadband absorbance.The optical and morphological properties of lustrous metal self-healing liquid-like nanofilms were systematically studied for different applications (e.g., optical mirrors or filters). These nanofilms were formed by a one-step self-assembly methodology of gold nanoparticles (AuNPs) at immiscible water-oil interfaces, previously reported by our group. We investigated a host of experimental variables and herein report their influence on the optical properties of nanofilms: AuNP mean diameter, interfacial AuNP surface coverage, nature of the organic solvent, and nature of the lipophilic organic molecule that caps the AuNPs in the interfacial nanofilm. To probe the interfacial gold nanofilms we used in situ (UV-vis-NIR spectroscopy and optical microscopy) as well as ex situ (SEM and TEM of interfacial gold nanofilms transferred to silicon substrates) techniques. The interfacial AuNP surface coverage strongly influenced the morphology of the interfacial nanofilms, and in turn their maximum reflectance and absorbance. We observed three distinct morphological regimes; (i) smooth 2D monolayers of ``floating islands'' of AuNPs at low surface coverages, (ii) a mixed 2D/3D regime with the beginnings of 3D nanostructures consisting of small piles of adsorbed AuNPs even under sub-full-monolayer conditions and, finally, (iii) a 3D regime characterised by the 2D full-monolayer being covered in significant piles of adsorbed AuNPs. A maximal value of reflectance reached 58% in comparison with a solid gold mirror, when 38 nm mean diameter AuNPs were used at a water-nitrobenzene interface. Meanwhile, interfacial gold nanofilms prepared with 12 nm mean diameter AuNPs exhibited the highest extinction intensities at ca. 690 nm and absorbance around 90% of the incident light, making them an attractive candidate for filtering applications. Furthermore, the interparticle spacing, and resulting interparticle plasmon coupling derived optical properties, varied significantly on replacing tetrathiafulvalene with neocuproine as the AuNP capping ligand in the nanofilm. These interfacial nanofilms formed with neocuproine and 38 nm mean diameter AuNPs, at monolayer surface coverages and above, were black due to aggregation and broadband absorbance. Electronic supplementary information (ESI) available: Interfacial tension measurements for various water-organic solvent systems, step-by-step optical microscopy and SEM characterization of the obtained film, optical photographs of all tested solvents and molecules, and influence of the interfacial tension on optical responses of AuNPs assemblies. See DOI: 10.1039/c6nr00371k

Effects of human and organizational deficiencies on workers'safety behavior in a mining site in Iran.

PubMed

Mirzaei Aliabadi, Mostafa; Aghaei, Hamed; Kalatpour, Omid; Soltanian, Ali Reza; SeyedTabib, Maryam

2018-05-18

Mines are a dangerous workplace worldwide with a high accident rate. According to the Statistical Center of Iran, the number of occupational accidents in Iranian mines has increased in recent years. This study determined and explained human and organizational deficiencies influencing Iranian mining accidents. In this study, the data associated with 305 mining accidents were investigated. The data were analyzed based on a systems analysis approach to identify critical deficiencies in organizational influences, unsafe supervision, preconditions for unsafe acts, and workers' unsafe acts. Partial Least Square Structural Equation Modeling [PLS-SEM] was utilized for modeling the interactions between these deficiencies. It was demonstrated that organizational deficiencies had a direct positive effect on workers' violations (path coefficient=0.16) and workers' errors (path coefficient=0.23). The effect of unsafe supervision on workers' violations and workers' errors was also significant with the path coefficients of 0.14 and 0.20. Likewise, preconditions for unsafe acts also had a significant effect on both workers' violations (path coefficient=0.16) and workers' errors (path coefficient=0.21). Moreover, organizational deficiencies had an indirect positive effect on workers' unsafe acts mediated by unsafe supervision and preconditions for unsafe acts. Among the variables examined in the current study, organizational influences had the strongest impacts on workers' unsafe acts. Organizational deficiencies are the main causes of accidents in mining sectors that affects all other aspects of system safety. For preventing occupational accidents, organizational deficiencies should be modified first.

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

NASA Astrophysics Data System (ADS)

Liu, Lei; Li, Yaning

2018-07-01

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

Ordered mesoporous silica prepared by quiescent interfacial growth method - effects of reaction chemistry

PubMed Central

2013-01-01

Acidic interfacial growth can provide a number of industrially important mesoporous silica morphologies including fibers, spheres, and other rich shapes. Studying the reaction chemistry under quiescent (no mixing) conditions is important for understanding and for the production of the desired shapes. The focus of this work is to understand the effect of a number of previously untested conditions: acid type (HCl, HNO3, and H2SO4), acid content, silica precursor type (TBOS and TEOS), and surfactant type (CTAB, Tween 20, and Tween 80) on the shape and structure of products formed under quiescent two-phase interfacial configuration. Results show that the quiescent growth is typically slow due to the absence of mixing. The whole process of product formation and pore structuring becomes limited by the slow interfacial diffusion of silica source. TBOS-CTAB-HCl was the typical combination to produce fibers with high order in the interfacial region. The use of other acids (HNO3 and H2SO4), a less hydrophobic silica source (TEOS), and/or a neutral surfactant (Tweens) facilitate diffusion and homogenous supply of silica source into the bulk phase and give spheres and gyroids with low mesoporous order. The results suggest two distinct regions for silica growth (interfacial region and bulk region) in which the rate of solvent evaporation and local concentration affect the speed and dimension of growth. A combined mechanism for the interfacial bulk growth of mesoporous silica under quiescent conditions is proposed. PMID:24237719

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

The Role of Water in Mediating Interfacial Adhesion and Shear Strength in Graphene Oxide.

PubMed

Soler-Crespo, Rafael A; Gao, Wei; Mao, Lily; Nguyen, Hoang T; Roenbeck, Michael R; Paci, Jeffrey T; Huang, Jiaxing; Nguyen, SonBinh T; Espinosa, Horacio D

2018-06-12

Graphene oxide (GO), whose highly tunable surface chemistry enables the formation of strong interfacial hydrogen-bond networks, has garnered increasing interest in the design of devices that operate in the presence of water. For instance, previous studies have suggested that controlling GO's surface chemistry leads to enhancements in interfacial shear strength, allowing engineers to manage deformation pathways and control failure mechanisms. However, these previous reports have not explored the role of ambient humidity and only offer extensive chemical modifications to GO's surface as the main pathway to control GO's interfacial properties. Herein, through atomic force microscopy experiments on GO-GO interfaces, the adhesion energy and interfacial shear strength of GO were measured as a function of ambient humidity. Experimental evidence shows that adhesion energy and interfacial shear strength can be improved by a factor of 2-3 when GO is exposed to moderate (∼30% water weight) water content. Furthermore, complementary molecular dynamics simulations uncovered the mechanisms by which these nanomaterial interfaces achieve their properties. They reveal that the strengthening mechanism arises from the formation of strongly interacting hydrogen-bond networks, driven by the chemistry of the GO basal plane and intercalated water molecules between two GO surfaces. In summary, the methodology and findings here reported provide pathways to simultaneously optimize GO's interfacial and in-plane mechanical properties, by tailoring the chemistry of GO and accounting for water content, in engineering applications such as sensors, filtration membranes, wearable electronics, and structural materials.

Probing functional groups at the gas-aerosol interface using heterogeneous titration reactions: a tool for predicting aerosol health effects?

PubMed

Setyan, Ari; Sauvain, Jean-Jacques; Guillemin, Michel; Riediker, Michael; Demirdjian, Benjamin; Rossi, Michel J

2010-12-17

The complex chemical and physical nature of combustion and secondary organic aerosols (SOAs) in general precludes the complete characterization of both bulk and interfacial components. The bulk composition reveals the history of the growth process and therefore the source region, whereas the interface controls--to a large extent--the interaction with gases, biological membranes, and solid supports. We summarize the development of a soft interrogation technique, using heterogeneous chemistry, for the interfacial functional groups of selected probe gases [N(CH(3))(3), NH(2)OH, CF(3)COOH, HCl, O(3), NO(2)] of different reactivity. The technique reveals the identity and density of surface functional groups. Examples include acidic and basic sites, olefinic and polycyclic aromatic hydrocarbon (PAH) sites, and partially and completely oxidized surface sites. We report on the surface composition and oxidation states of laboratory-generated aerosols and of aerosols sampled in several bus depots. In the latter case, the biomarker 8-hydroxy-2'-deoxyguanosine, signaling oxidative stress caused by aerosol exposure, was isolated. The increase in biomarker levels over a working day is correlated with the surface density N(i)(O3) of olefinic and/or PAH sites obtained from O(3) uptakes as well as with the initial uptake coefficient, γ(0), of five probe gases used in the field. This correlation with γ(0) suggests the idea of competing pathways occurring at the interface of the aerosol particles between the generation of reactive oxygen species (ROS) responsible for oxidative stress and cellular antioxidants.

Bio-inspired enhancement of friction and adhesion at the polydimethylsiloxane-intestine interface and biocompatibility characterization.

PubMed

Zhang, Hongyu; Wang, Yi; Vasilescu, Steven; Gu, Zhibin; Sun, Tao

2017-05-01

An active navigation of self-propelled miniaturized robot along the intestinal tract without injuring the soft tissue remains a challenge as yet. Particularly in this case an effective control of the interfacial friction and adhesion between the material used and the soft tissue is crucial. In the present study, we investigated the frictional and adhesive properties between polydimethylsiloxane (PDMS, microscopically patterned with micro-pillar arrays and non-patterned with a flat surface) and rabbit small intestinal tract using a universal material tester. The friction coefficient-time plot and adhesive force-time plot were recorded during the friction test (sliding speed: 0.25mm/s; normal loading: 0.4N) and adhesion test (preloading: 0.5N; hoisting speed: 2.5×10 -3 mm/s). In addition, biocompatibility of the PDMS samples was characterized in terms of cell morphology (scanning electron microscope) and cell cytotoxicity (alamarBlue assay) using human vascular endothelial cells (HUVECs). The results demonstrated that the interfacial friction (0.27 vs 0.19) and adhesion (34.9mN vs 26.7mN) were greatly increased using microscopically patterned PDMS, in comparison with non-patterned PDMS. HUVECs adhered to and proliferated on non-patterned/microscopically patterned PDMS very well, with a relative cell viability of about 90% following seeding at 1d, 3d, and 5d. The favorable enhancement of the frictional and adhesive properties, along with the excellent biocompatibility of the microscopically patterned PDMS, makes it a propitious choice for clinical application of self-propelled miniaturized robots. Copyright © 2016 Elsevier B.V. All rights reserved.

Boosting Two-Dimensional MoS2/CsPbBr3 Photodetectors via Enhanced Light Absorbance and Interfacial Carrier Separation.

PubMed

Song, Xiufeng; Liu, Xuhai; Yu, Dejian; Huo, Chengxue; Ji, Jianping; Li, Xiaoming; Zhang, Shengli; Zou, Yousheng; Zhu, Gangyi; Wang, Yongjin; Wu, Mingzai; Xie, An; Zeng, Haibo

2018-01-24

Transition metal dichalcogenides (TMDs) are promising candidates for flexible optoelectronic devices because of their special structures and excellent properties, but the low optical absorption of the ultrathin layers greatly limits the generation of photocarriers and restricts the performance. Here, we integrate all-inorganic perovskite CsPbBr 3 nanosheets with MoS 2 atomic layers and take the advantage of the large absorption coefficient and high quantum efficiency of the perovskites, to achieve excellent performance of the TMD-based photodetectors. Significantly, the interfacial charge transfer from the CsPbBr 3 to the MoS 2 layer has been evidenced by the observed photoluminescence quenching and shortened decay time of the hybrid MoS 2 /CsPbBr 3 . Resultantly, such a hybrid MoS 2 /CsPbBr 3 photodetector exhibits a high photoresponsivity of 4.4 A/W, an external quantum efficiency of 302%, and a detectivity of 2.5 × 10 10 Jones because of the high efficient photoexcited carrier separation at the interface of MoS 2 and CsPbBr 3 . The photoresponsivity of this hybrid device presents an improvement of 3 orders of magnitude compared with that of a MoS 2 device without CsPbBr 3 . The response time of the device is also shortened from 65.2 to 0.72 ms after coupling with MoS 2 layers. The combination of the all-inorganic perovskite layer with high photon absorption and the carrier transport TMD layer may pave the way for novel high-performance optoelectronic devices.

Synthesis and Characterization of Microencapsulated Phase Change Materials with Poly(urea-urethane) Shells Containing Cellulose Nanocrystals.

PubMed

Yoo, Youngman; Martinez, Carlos; Youngblood, Jeffrey P

2017-09-20

The main objective of this study is to develop microencapsulation technology for thermal energy storage incorporating a phase change material (PCM) in a composite wall shell, which can be used to create a stable environment and allow the PCM to undergo phase change without any outside influence. Surface modification of cellulose nanocrystals (CNCs) was conducted by grafting poly(lactic acid) oligomers and oleic acid to improve the dispersion of nanoparticles in a polymeric shell. A microencapsulated phase change material (methyl laurate) with poly(urea-urethane) (PU) composite shells containing the hydrophobized cellulose nanocrystals (hCNCs) was fabricated using an in situ emulsion interfacial polymerization process. The encapsulation process of the PCMs with subsequent interfacial hCNC-PU to form composite microcapsules as well as their morphology, composition, thermal properties, and release rates was examined in this study. Oil soluble Sudan II dye solution in methyl laurate was used as a model hydrophobic fill, representing other latent fills with low partition coefficients, and their encapsulation efficiency as well as dye release rates were measured spectroscopically in a water medium. The influence of polyol content in the PU polymer matrix of microcapsules was investigated. An increase in polyol contents leads to an increase in the mean size of microcapsules but a decrease in the gel content (degree of cross-linking density) and permeability of their shell structure. The encapsulated PCMs for thermal energy storage demonstrated here exhibited promising performance for possible use in building or paving materials in terms of released heat, desired phase transformation temperature, chemical and physical stability, and concrete durability during placement.

The Dynamics of Miscible Interfaces: Simulations

NASA Technical Reports Server (NTRS)

Meiburg, Eckart

2005-01-01

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

Free energy barriers for escape of water molecules from protein hydration layer.

PubMed

Roy, Susmita; Bagchi, Biman

2012-03-08

Free energy barriers separating interfacial water molecules from the hydration layer at the surface of a protein to the bulk are obtained by using the umbrella sampling method of free energy calculation. We consider hydration layer of chicken villin head piece (HP-36) which has been studied extensively by molecular dynamics simulations. The free energy calculations reveal a strong sensitivity to the secondary structure. In particular, we find a region near the junction of first and second helix that contains a cluster of water molecules which are slow in motion, characterized by long residence times (of the order of 100 ps or more) and separated by a large free energy barrier from the bulk water. However, these "slow" water molecules constitute only about 5-10% of the total number of hydration layer water molecules. Nevertheless, they play an important role in stabilizing the protein conformation. Water molecules near the third helix (which is the important helix for biological function) are enthalpically least stable and exhibit the fastest dynamics. Interestingly, barrier height distributions of interfacial water are quite broad for water surrounding all the three helices (and the three coils), with the smallest barriers found for those near the helix-3. For the quasi-bound water molecules near the first and second helices, we use well-known Kramers' theory to estimate the residence time from the free energy surface, by estimating the friction along the reaction coordinate from the diffusion coefficient by using Einstein relation. The agreement found is satisfactory. We discuss the possible biological function of these slow, quasi-bound (but transient) water molecules on the surface.

Structural and optical properties of furfurylidenemalononitrile thin films

NASA Astrophysics Data System (ADS)

Ali, H. A. M.

2013-03-01

Thin films of furfurylidenemalononitrile (FMN) were deposited on different substrates at room temperature by thermal evaporation technique under a high vacuum. The structure of the powder was confirmed by Fourier transformation infrared (FTIR) technique. The unit cell dimensions were determined from X-ray diffraction (XRD) studies. The optical properties were investigated using spectrophotometric measurements of the transmittance and reflectance at normal incidence of light in the wavelength range from 200 to 2500 nm. The refractive index (n), the absorption index (k) and the absorption coefficient (α) were calculated. The analysis of the spectral behavior of the absorption coefficient in the absorption region revealed an indirect allowed transition. The refractive index dispersion was analyzed using the single oscillator model. Some dispersion parameters were estimated. Complex dielectric function and optical conductivity were determined. The influence of the irradiation with high-energy X-rays (6 MeV) on the studied properties was also investigated.

Engineering three-dimensionally electrodeposited Si-on-Ni inverse opal structure for high volumetric capacity Li-ion microbattery anode.

PubMed

Liu, Hao; Cho, Hyung-Man; Meng, Ying Shirley; Li, Quan

2014-06-25

Aiming at improving the volumetric capacity of nanostructured Li-ion battery anode, an electrodeposited Si-on-Ni inverse opal structure has been proposed in the present work. This type of electrode provides three-dimensional bi-continuous pathways for ion/electron transport and high surface area-to-volume ratios, and thus exhibits lower interfacial resistance, but higher effective Li ions diffusion coefficients, when compared to the Si-on-Ni nanocable array electrode of the same active material mass. As a result, improved volumetric capacities and rate capabilities have been demonstrated in the Si-on-Ni inverse opal anode. We also show that optimization of the volumetric capacities and the rate performance of the inverse opal electrode can be realized by manipulating the pore size of the Ni scaffold and the thickness of the Si deposit.

Effect of adsorbed chlorine and oxygen on shear strength of iron and copper junctions

NASA Technical Reports Server (NTRS)

Wheeler, D. R.

1975-01-01

Static friction experiments were performed in ultrahigh vacuum at room temperature on copper, iron, and steel contacts selectively contaminated with oxygen and chlorine in submonolayer amounts. The concentration of the adsorbates was determined with Auger electron spectroscopy and was measured relative to the saturation concentration of oxygen on iron (concentration 1.0). The coefficient of static friction decreased with increasing adsorbate concentration. It was independent of the metal and the adsorbate. The results compared satisfactorily with an extension of the junction growth theory to heterogeneous interfaces. The reduction in interfacial shear strength was measured by the ratio sub a/sub m where sub a is the shear strength of the interface with an adsorbate concentration of 1.0, and sub m is the strength of the clean metal interface. This ratio was 0.835 + or - 0.012 for all the systems tested.

Temperature-difference-driven mass transfer through the vapor from a cold to a warm liquid.

PubMed

Struchtrup, Henning; Kjelstrup, Signe; Bedeaux, Dick

2012-06-01

Irreversible thermodynamics provides interface conditions that yield temperature and chemical potential jumps at phase boundaries. The interfacial jumps allow unexpected transport phenomena, such as the inverted temperature profile [Pao, Phys. Fluids 14, 306 (1971)] and mass transfer from a cold to a warm liquid driven by a temperature difference across the vapor phase [Mills and Phillips, Chem. Phys. Lett. 372, 615 (2002)]. Careful evaluation of the thermodynamic laws has shown [Bedeaux et al., Physica A 169, 263 (1990)] that the inverted temperature profile is observed for processes with a high heat of vaporization. In this paper, we show that cold to warm mass transfer through the vapor from a cold to a warm liquid is only possible when the heat of evaporation is sufficiently small. A necessary criterium for the size of the mass transfer coefficient is given.

Thermodynamics analysis of diffusion in spark plasma sintering welding Cr3C2 and Ni

NASA Astrophysics Data System (ADS)

Zhang, Fan; Zhang, Jinyong; Leng, Xiaoxuan; Lei, Liwen; Fu, Zhengyi

2017-03-01

Spark plasma sintering (SPS) welding of chromium carbide (Cr3C2) and nickel (Ni) was used to investigate the atomic diffusion caused by bypassing current. It was found that the diffusion coefficient with bypassing current was enhanced by almost 3.57 times over that without bypassing current. Different from the previous researches, the thermodynamics analysis conducted herein showed that the enhancement included a current direction-independent part besides the known current direction-dependent part. A local temperature gradient (LTG) model was proposed to explain the current direction-independent effect. Assuming that the LTG was mainly due to the interfacial electric resistance causing heterogeneous Joule heating, the theoretical results were in good agreement with the experimental results both in the present and previous studies. This new LTG model provides a reasonable physical meaning for the low-temperature advantage of SPS welding and should be useful in a wide range of applications.

A flexible, high-performance magnetoelectric heterostructure of (001) oriented Pb(Zr0.52Ti0.48)O3 film grown on Ni foil

NASA Astrophysics Data System (ADS)

Palneedi, Haribabu; Yeo, Hong Goo; Hwang, Geon-Tae; Annapureddy, Venkateswarlu; Kim, Jong-Woo; Choi, Jong-Jin; Trolier-McKinstry, Susan; Ryu, Jungho

2017-09-01

In this study, a flexible magnetoelectric (ME) heterostructure of PZT/Ni was fabricated by depositing a (001) oriented Pb(Zr0.52Ti0.48)O3 (PZT) film on a thin, flexible Ni foil buffered with LaNiO3/HfO2. Excellent ferroelectric properties and large ME voltage coefficient of 3.2 V/cmṡOe were realized from the PZT/Ni heterostructure. The PZT/Ni composite's high performance was attributed to strong texturing of the PZT film, coupled with the compressive stress in the piezoelectric film. Besides, reduced substrate clamping in the PZT film due to the film on the foil structure and strong interfacial bonding in the PZT/LaNiO3/HfO2/Ni heterostructure could also have contributed to the high ME performance of PZT/Ni.

Thermodynamic and kinetic studies of As2O3 toxicological effects on human insulin in generation diabetes mellitus

NASA Astrophysics Data System (ADS)

Mohsennia, Mohsen; Motaharinejad, Atieh; Rafiee-Pour, Hossain-Ali; Torabbeigi, Marzieh

2017-12-01

The interaction of arsenic trioxide with human insulin was investigated by circular dichroism (CD), cyclic voltammetry and electrophoresis techniques. The interfacial behavior of insulin in presence of As2O3 onto the Ag electrode surface was studied at 310 K in phosphate buffer solution (PBS). According to Far-UV CD spectroscopy results, As2O3 caused to decrease in structural compactness and variety of alpha helix into beta structures. Near-UV CD indicated that As2O3 dissociates disulfide linkage in insulin structure. The kinetic parameters, including charge-transfer coefficient and apparent heterogeneous electron transfer rate constant were also determined. The thermodynamic parameters of insulin denaturation in presence of arsenic trioxide were calculated and reported. The obtained results indicated strong adsorption of insulin in presence of arsenic trioxide onto the Ag surface via chemisorptions.

The platinum microelectrode/Nafion interface - An electrochemical impedance spectroscopic analysis of oxygen reduction kinetics and Nafion characteristics

NASA Technical Reports Server (NTRS)

Parthasarathy, Arvind; Dave, Bhasker; Srinivasan, Supramaniam; Appleby, John A.; Martin, Charles R.

1992-01-01

The objectives of this study were to use electrochemical impedance spectroscopy (EIS) to study the oxygen-reduction reaction under lower humidification conditions than previously studied. The EIS technique permits the discrimination of electrode kinetics of oxygen reduction, mass transport of O2 in the membrane, and the electrical characteristics of the membrane. Electrode-kinetic parameters for the oxygen-reduction reaction, corrosion current densities for Pt, and double-layer capacitances were calculated. The production of water due to electrochemical reduction of oxygen greatly influenced the EIS response and the electrode kinetics at the Pt/Nafion interface. From the finite-length Warburg behavior, a measure of the diffusion coefficient of oxygen in Nafion and diffusion-layer thickness was obtained. An analysis of the EIS data in the high-frequency domain yielded membrane and interfacial characteristics such as ionic conductivity of the membrane, membrane grain-boundary capacitance and resistance, and uncompensated resistance.

Double-diffusive boundary layers along vertical free surfaces

NASA Astrophysics Data System (ADS)

Napolitano, L. G.; Viviani, A.; Savino, R.

1992-05-01

This paper deals with double-diffusive (or thermosolutal) combined free convection, i.e., free convection due to buoyant forces (natural convection) and surface tension gradients (Marangoni convection), which are generated by volume differences and surface gradients of temperature and solute concentration. Attention is focused on boundary layers that form along a vertical liquid-gas interface, when the appropriately defined nondimensional characteristic transport numbers are large enough, in problems of thermosolutal natural and Marangoni convection, such as buoyancy and surface tension driven flows in differentially heated open cavities and liquid bridges. Classes of similar solutions are derived for each class of convection on the basis of a rigorous order of magnitude analysis. Velocity, temperature and concentration profiles are reported in the similarity plane; flow and transport properties at the liquid-gas interface (interfacial velocity, heat and mass transfer bulk coefficients) are obtained for a wide range of Prandtl and Schmidt numbers and different values of the similarity parameter.

Nucleation kinetics, crystal growth and optical studies on lithium hydrogen oxalate monohydrate single crystal

NASA Astrophysics Data System (ADS)

Chandran, Senthilkumar; Paulraj, Rajesh; Ramasamy, P.

2017-06-01

Semi-organic lithium hydrogen oxalate monohydrate non-linear optical single crystals have been grown by slow evaporation solution technique at 40 °C. The nucleation parameters such as critical radius, interfacial tension, and critical free energy change have been evaluated using the experimental data. The solubility and the nucleation curve of the crystal at different temperatures have been analyzed. The crystal has a positive temperature coefficient of solubility. The metastable zone width and induction period have been determined for the aqueous solution growth of lithium hydrogen oxalate monohydrate. The UV-vis-NIR spectrum showed this crystal has high transparency. The photoconductivity studies indicate lithium hydrogen oxalate monohydrate has positive photoconductivity behaviour. The low etch pit density observed on (0 0 1) crystal surface and the high resolution x-ray difraction analysis indicate the good quality of the grown crystals

Skew resisting hydrodynamic seal

DOEpatents

Conroy, William T.; Dietle, Lannie L.; Gobeli, Jeffrey D.; Kalsi, Manmohan S.

2001-01-01

A novel hydrodynamically lubricated compression type rotary seal that is suitable for lubricant retention and environmental exclusion. Particularly, the seal geometry ensures constraint of a hydrodynamic seal in a manner preventing skew-induced wear and provides adequate room within the seal gland to accommodate thermal expansion. The seal accommodates large as-manufactured variations in the coefficient of thermal expansion of the sealing material, provides a relatively stiff integral spring effect to minimize pressure-induced shuttling of the seal within the gland, and also maintains interfacial contact pressure within the dynamic sealing interface in an optimum range for efficient hydrodynamic lubrication and environment exclusion. The seal geometry also provides for complete support about the circumference of the seal to receive environmental pressure, as compared the interrupted character of seal support set forth in U.S. Pat. Nos. 5,873,576 and 6,036,192 and provides a hydrodynamic seal which is suitable for use with non-Newtonian lubricants.

Generalized contact and improved frictional heating in the material point method

NASA Astrophysics Data System (ADS)

Nairn, J. A.; Bardenhagen, S. G.; Smith, G. D.

2017-09-01

The material point method (MPM) has proved to be an effective particle method for computational mechanics modeling of problems involving contact, but all prior applications have been limited to Coulomb friction. This paper generalizes the MPM approach for contact to handle any friction law with examples given for friction with adhesion or with a velocity-dependent coefficient of friction. Accounting for adhesion requires an extra calculation to evaluate contact area. Implementation of velocity-dependent laws usually needs numerical methods to find contacting forces. The friction process involves work which can be converted into heat. This paper provides a new method for calculating frictional heating that accounts for interfacial acceleration during the time step. The acceleration terms is small for many problems, but temporal convergence of heating effects for problems involving vibrations and high contact forces is improved by the new method. Fortunately, the new method needs few extra calculations and therefore is recommended for all simulations.