Interfacial Coupling-Induced Ferromagnetic Insulator Phase in Manganite Film

DOE PAGES

Zhang, Bangmin; Wu, Lijun; Yin, Wei-Guo; ...

2016-06-08

Interfaces with subtle differences in atomic and electronic structures in perovskite ABO 3 heterostructures often yield intriguingly different properties, yet their exact roles remain elusive. Here, we report an integrated study of unusual transport, magnetic, and structural properties of Pr 0.67Sr 0.33MnO 3 film on SrTiO 3 substrate. The variations in the out-of-plane lattice constant and BO 6 octahedral rotation across the Pr 0.67Sr 0.33MnO 3/SrTiO 3 interface strongly depend on the thickness of the Pr 0.67Sr 0.33MnO 3 film. In the 12-nm film, a new interface-sensitive ferromagnetic polaronic insulator (FI') phase is formed during the cubic-to-tetragonal phase transition ofmore » SrTiO 3, apparently due to the enhanced electron–phonon interaction and atomic disorder in the film. The transport properties of the FI' phase in the 30-nm film are masked because of the reduced interfacial coupling and smaller interface-to-volume ratio. In conclusion, this work demonstrates how thickness-dependent interfacial coupling leads to the formation of a theoretically predicted ferromagnetic–polaronic insulator, as illustrated in a new phase diagram, that is otherwise ferromagnetic metal (FM) in bulk form.« less

Interfacial Coupling-Induced Ferromagnetic Insulator Phase in Manganite Film

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

Zhang, Bangmin; Wu, Lijun; Yin, Wei-Guo

Interfaces with subtle differences in atomic and electronic structures in perovskite ABO 3 heterostructures often yield intriguingly different properties, yet their exact roles remain elusive. Here, we report an integrated study of unusual transport, magnetic, and structural properties of Pr 0.67Sr 0.33MnO 3 film on SrTiO 3 substrate. The variations in the out-of-plane lattice constant and BO 6 octahedral rotation across the Pr 0.67Sr 0.33MnO 3/SrTiO 3 interface strongly depend on the thickness of the Pr 0.67Sr 0.33MnO 3 film. In the 12-nm film, a new interface-sensitive ferromagnetic polaronic insulator (FI') phase is formed during the cubic-to-tetragonal phase transition ofmore » SrTiO 3, apparently due to the enhanced electron–phonon interaction and atomic disorder in the film. The transport properties of the FI' phase in the 30-nm film are masked because of the reduced interfacial coupling and smaller interface-to-volume ratio. In conclusion, this work demonstrates how thickness-dependent interfacial coupling leads to the formation of a theoretically predicted ferromagnetic–polaronic insulator, as illustrated in a new phase diagram, that is otherwise ferromagnetic metal (FM) in bulk form.« 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.

Void fraction, bubble size and interfacial area measurements in co-current downflow bubble column reactor with microbubble dispersion

DOE PAGES

Hernandez-Alvarado, Freddy; Kalaga, Dinesh V.; Turney, Damon; ...

2017-05-06

Micro-bubbles dispersed in bubble column reactors have received great interest in recent years, due to their small size, stability, high gas-liquid interfacial area concentrations and longer residence times. The high gas-liquid interfacial area concentrations lead to high mass transfer rates compared to conventional bubble column reactors. In the present work, experiments have been performed in a down-flow bubble column reactor with micro-bubbles generated and dispersed by a novel mechanism to determine the gas-liquid interfacial area concentrations by measuring the void fraction and bubble size distributions. Gamma-ray densitometry has been employed to determine the axial and radial distributions of void fractionmore » and a high speed camera equipped with a borescope is used to measure the axial and radial variations of bubble sizes. Also, the effects of superficial gas and liquid velocities on the two-phase flow characteristics have been investigated. Further, reconstruction techniques of the radial void fraction profiles from the gamma densitometry's chordal measurements are discussed and compared for a bubble column reactor with dispersed micro-bubbles. The results demonstrate that the new bubble generation technique offers high interfacial area concentrations (1,000 to 4,500 m 2/m 3) with sub-millimeter bubbles (500 to 900 µm) and high overall void fractions (10% – 60%) in comparison with previous bubble column reactor designs. The void fraction data was analyzed using slip velocity model and empirical correlation has been proposed to predict the Sauter mean bubble diameter.« less

Void fraction, bubble size and interfacial area measurements in co-current downflow bubble column reactor with microbubble dispersion

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

Hernandez-Alvarado, Freddy; Kalaga, Dinesh V.; Turney, Damon

Micro-bubbles dispersed in bubble column reactors have received great interest in recent years, due to their small size, stability, high gas-liquid interfacial area concentrations and longer residence times. The high gas-liquid interfacial area concentrations lead to high mass transfer rates compared to conventional bubble column reactors. In the present work, experiments have been performed in a down-flow bubble column reactor with micro-bubbles generated and dispersed by a novel mechanism to determine the gas-liquid interfacial area concentrations by measuring the void fraction and bubble size distributions. Gamma-ray densitometry has been employed to determine the axial and radial distributions of void fractionmore » and a high speed camera equipped with a borescope is used to measure the axial and radial variations of bubble sizes. Also, the effects of superficial gas and liquid velocities on the two-phase flow characteristics have been investigated. Further, reconstruction techniques of the radial void fraction profiles from the gamma densitometry's chordal measurements are discussed and compared for a bubble column reactor with dispersed micro-bubbles. The results demonstrate that the new bubble generation technique offers high interfacial area concentrations (1,000 to 4,500 m 2/m 3) with sub-millimeter bubbles (500 to 900 µm) and high overall void fractions (10% – 60%) in comparison with previous bubble column reactor designs. The void fraction data was analyzed using slip velocity model and empirical correlation has been proposed to predict the Sauter mean bubble diameter.« less

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

NASA Astrophysics Data System (ADS)

Raeesi, Behrooz; Piri, Mohammad

2009-10-01

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

The influence of interfacial slip on two-phase flow in rough pores

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

Kucala, Alec; Martinez, Mario J.; Wang, Yifeng

The migration and trapping of supercritical CO 2 (scCO 2) in geologic carbon storage is strongly dependent on the geometry and wettability of the pore network in the reservoir rock. During displacement, resident fluids may become trapped in the pits of a rough pore surface forming an immiscible two-phase fluid interface with the invading fluid, allowing apparent slip flow at this interface. We present a two-phase fluid dynamics model, including interfacial tension, to characterize the impact of mineral surface roughness on this slip flow. We show that the slip flow can be cast in more familiar terms as a contact-anglemore » (wettability)-dependent effective permeability to the invading fluid, a nondimensional measurement which relates the interfacial slip to the pore geometry. The analysis shows the surface roughness-induced slip flow can effectively increase or decrease this effective permeability, depending on the wettability and roughness of the mineral surfaces. Configurations of the pore geometry where interfacial slip has a tangible influence on permeability have been identified. The results suggest that for large roughness features, permeability to CO 2 may be enhanced by approximately 30% during drainage, while the permeability to brine during reimbibition may be enhanced or diminished by 60%, depending on the contact angle with the mineral surfaces and degrees of roughness. For smaller roughness features, the changes in permeability through interfacial slip are small. As a result, a much larger range of effective permeabilities are suggested for general fluid pairs and contact angles, including occlusion of the pore by the trapped phase.« less

The influence of interfacial slip on two-phase flow in rough pores

DOE PAGES

Kucala, Alec; Martinez, Mario J.; Wang, Yifeng; ...

2017-08-01

The migration and trapping of supercritical CO 2 (scCO 2) in geologic carbon storage is strongly dependent on the geometry and wettability of the pore network in the reservoir rock. During displacement, resident fluids may become trapped in the pits of a rough pore surface forming an immiscible two-phase fluid interface with the invading fluid, allowing apparent slip flow at this interface. We present a two-phase fluid dynamics model, including interfacial tension, to characterize the impact of mineral surface roughness on this slip flow. We show that the slip flow can be cast in more familiar terms as a contact-anglemore » (wettability)-dependent effective permeability to the invading fluid, a nondimensional measurement which relates the interfacial slip to the pore geometry. The analysis shows the surface roughness-induced slip flow can effectively increase or decrease this effective permeability, depending on the wettability and roughness of the mineral surfaces. Configurations of the pore geometry where interfacial slip has a tangible influence on permeability have been identified. The results suggest that for large roughness features, permeability to CO 2 may be enhanced by approximately 30% during drainage, while the permeability to brine during reimbibition may be enhanced or diminished by 60%, depending on the contact angle with the mineral surfaces and degrees of roughness. For smaller roughness features, the changes in permeability through interfacial slip are small. As a result, a much larger range of effective permeabilities are suggested for general fluid pairs and contact angles, including occlusion of the pore by the trapped phase.« less

The influence of interfacial slip on two-phase flow in rough pores

NASA Astrophysics Data System (ADS)

Kucala, Alec; Martinez, Mario J.; Wang, Yifeng; Noble, David R.

2017-08-01

The migration and trapping of supercritical CO2 (scCO2) in geologic carbon storage is strongly dependent on the geometry and wettability of the pore network in the reservoir rock. During displacement, resident fluids may become trapped in the pits of a rough pore surface forming an immiscible two-phase fluid interface with the invading fluid, allowing apparent slip flow at this interface. We present a two-phase fluid dynamics model, including interfacial tension, to characterize the impact of mineral surface roughness on this slip flow. We show that the slip flow can be cast in more familiar terms as a contact-angle (wettability)-dependent effective permeability to the invading fluid, a nondimensional measurement which relates the interfacial slip to the pore geometry. The analysis shows the surface roughness-induced slip flow can effectively increase or decrease this effective permeability, depending on the wettability and roughness of the mineral surfaces. Configurations of the pore geometry where interfacial slip has a tangible influence on permeability have been identified. The results suggest that for large roughness features, permeability to CO2 may be enhanced by approximately 30% during drainage, while the permeability to brine during reimbibition may be enhanced or diminished by 60%, depending on the contact angle with the mineral surfaces and degrees of roughness. For smaller roughness features, the changes in permeability through interfacial slip are small. A much larger range of effective permeabilities are suggested for general fluid pairs and contact angles, including occlusion of the pore by the trapped phase.

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

NASA Technical Reports Server (NTRS)

Balasubramaniam, R.; Subramanian, R. Shankar

2004-01-01

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

Surfactant effects on interfacial flow and thermal transport processes during phase change in film boiling

NASA Astrophysics Data System (ADS)

Premnath, Kannan N.; Hajabdollahi, Farzaneh; Welch, Samuel W. J.

2018-04-01

The presence of surfactants in two-phase flows results in the transport and adsorption of surfactants to the interface, and the resulting local interfacial concentration significantly influences the surface tension between the liquid and vapor phases in a fluid undergoing phase change. This computational study is aimed at understanding and elucidating the mechanisms of enhanced flows and thermal transport processes in film boiling due to the addition of surfactants. A change in surface tension results in a change in the critical Rayleigh-Taylor wavelength leading to different bubble release patterns and a change in the overall heat transfer rates. Due to the presence of surfactants, an additional transport mechanism of the Marangoni convection arises from the resulting tangential gradients in the surfactant concentration along the phase interface. Our computational approach to study such phenomena consists of representing the interfacial motion by means of the coupled level set-volume-of-fluid method, the fluid motion via the classical marker-and-cell approach, as well as representations for the bulk transport of energy and surfactants, in conjunction with a phase change model and an interfacial surfactant model. Using such an approach, we perform numerical simulations of surfactant-laden single mode as well as multiple mode film boiling and study the effect of surfactants on the transport processes in film boiling, including bubble release patterns, vapor generation rates, and heat transfer rates at different surfactant concentrations. The details of the underlying mechanisms will be investigated and interpreted.

Phase constitution in the interfacial region of laser penetration brazed magnesium–steel joints

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

Miao, Yugang; Han, Duanfeng, E-mail: handuanfeng@gmail.com; Xu, Xiangfang

2014-07-01

The phase constitution in the interfacial region of laser penetration brazed magnesium–steel joints was investigated using electron microscopy. From the distribution of elements, the transition zone was mainly composed of elements Mg and Fe along with some Al and O. Furthermore, the transition layer consisted mainly of intermetallic compounds and metal oxides. The compounds were identified as Al-rich phases, such as Mg{sub 17}Al{sub 12}, Mg{sub 2}Al{sub 3}, FeAl and Fe{sub 4}Al{sub 13}. More noteworthy was that the thickness of the transition layer was determined by Fe–Al compounds. The presence of FeAl and Fe{sub 4}Al{sub 13} was a result of themore » complex processes that were associated with the interfacial reaction of solid steel and liquid Mg–Al alloy. - Highlights: • A technology of laser penetration brazed Mg alloy and steel has been developed. • The interface of Mg/Fe dissimilar joints was investigated using electron microscopy. • The transition layer consisted of intermetallic compounds and metal oxides. • Moreover, the thickness of transition layer was determined by Fe/Al compounds. • The presence of FeAl and Fe{sub 4}Al{sub 13} was associated with the interfacial reaction.« less

2005 Annual Report Summer Research Institute Interfacial and Condensed Phase Chemical Physics

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

Barlow, Stephan E.

2005-11-15

The Pacific Northwest National Laboratory (PNNL) hosted its second annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from May through September 2005. During this period, sixteen PNNL scientists hosted fourteen young scientists from eleven different universities. Of the fourteen participants, twelve were graduate students; one was a postdoctoral fellow; and one was a university faculty member.

Phase Equilibria of the Sn-Ni-Si Ternary System and Interfacial Reactions in Sn-(Cu)/Ni-Si Couples

NASA Astrophysics Data System (ADS)

Fang, Gu; Chen, Chih-chi

2015-07-01

Interfacial reactions in Sn/Ni-4.5 wt.%Si and Sn-Cu/Ni-4.5 wt.%Si couples at 250°C, and Sn-Ni-Si ternary phase equilibria at 250°C were investigated in this study. Ni-Si alloys, which are nonmagnetic, can be regarded as a diffusion barrier layer material in flip chip packaging. Solder/Ni-4.5 wt.%Si interfacial reactions are crucial to the reliability of soldered joints. Phase equilibria information is essential for development of solder/Ni-Si materials. No ternary compound is present in the Sn-Ni-Si ternary system at 250°C. Extended solubility of Si in the phases Ni3Sn2 and Ni3Sn is 3.8 and 6.1 at.%, respectively. As more Si dissolves in these phases their lattice constants decrease. No noticeable ternary solubility is observed for the other intermetallics. Interfacial reactions in solder/Ni-4.5 wt.%Si are similar to those for solder/Ni. Si does not alter the reaction phases. No Si solubility in the reaction phases was detected, although rates of growth of the reaction phases were reduced. Because the alloy Ni-4.5 wt.%Si reacts more slowly with solders than pure Ni, the Ni-4.5 wt.%Si alloy could be a potential new diffusion barrier layer material for flip chip packaging.

2006 Annual Report Summer Research Institute Interfacial and Condensed Phase Chemical Physics

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

Avery, Nikki B.; Barlow, Stephan E.

2006-11-10

The Pacific Northwest National Laboratory (PNNL) hosted its third annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from May through September 2006. During this period, twenty PNNL scientists hosted twenty-seven scientists from twenty-five different universities. Of the twenty-seven participants, one was a graduating senior; twenty-one were graduate students; one was a postdoctoral fellow; and four were university faculty members.

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

PubMed

Algar, W Russ; Krull, Ulrich J

2011-01-01

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

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

PubMed Central

Algar, W. Russ; Krull, Ulrich J.

2011-01-01

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

Scratching the surface of ice: Interfacial phase transitions and their kinetic implications

NASA Astrophysics Data System (ADS)

Limmer, David

The surface structure of ice maintains a high degree of disorder down to surprisingly low temperatures. This is due to a number of underlying interfacial phase transitions that are associated with incremental changes in broken symmetry relative to the bulk crystal. In this talk I summarize recent work attempting to establish the nature and locations of these different phase transitions as well as how they depend on external conditions and nonequilibrium driving. The implications of this surface disorder is discussed in the context of simple kinetic processes that occur at these interfaces. Recent experimental work on the roughening transition is highlighted.

Topology-generating interfacial pattern formation during liquid metal dealloying.

PubMed

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

2015-11-19

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

2007 Annual Report Summer Research Institute Interfacial and Condensed Phase Chemical Physics

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

Beck, Kenneth M.

2007-10-31

The Pacific Northwest National Laboratory (PNNL) hosted its fourth annual Summer Research Institute in Interfacial and Condensed Phase Chemical Physics from April through September 2007. During this time, 21 PNNL scientists hosted 23 participants from 20 different universities. Of the 23 participants, 20 were graduate students, 1 was a postdoctoral fellow, and 2 were university faculty members. This report covers the essense of the program and the research the participants performed.

Topology-generating interfacial pattern formation during liquid metal dealloying

DOE PAGES

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

2015-11-19

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

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

PubMed

Xue, Junhui; Xu, Yizhuang; Jin, Zhaoxia

2016-03-08

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

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

NASA Astrophysics Data System (ADS)

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

2015-11-01

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

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.

First-Principles Prediction of Liquid/Liquid Interfacial Tension.

PubMed

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

2014-08-12

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

Formation, structure, and evolution of boiling nucleus and interfacial tension between bulk liquid phase and nucleus

NASA Astrophysics Data System (ADS)

Wang, Xiao-Dong; Peng, Xiao-Feng; Tian, Yong; Wang, Bu-Xuan

2005-05-01

In this paper, the concept of the molecular free path is introduced to derive a criterion distinguishing active molecules from inactive molecules in liquid phase. A concept of the critical aggregation concentration (CAC) of active molecules is proposed to describe the physical configuration before the formation of a nucleus during vapor-liquid phase transition. All active molecules exist as monomers when the concentration of active molecules is lower than CAC, while the active molecules will generate aggregation once the concentration of the active molecules reaches CAC. However, these aggregates with aggregation number, N, smaller than five can steadily exist in bulk phase. The other excess active molecules can only produce infinite aggregation and form a critical nucleus of vapor-liquid phase transition. Without any outer perturbation the state point of CAC corresponds to the critical superheated or supercooled state. Meanwhile, a model of two-region structure of a nucleus is proposed to describe nucleus evolution. The interfacial tension between bulk liquid phase and nucleus is dependent of the density gradient in the transition region and varies with the structure change of the transition region. With the interfacial tension calculated using this model, the predicted nucleation rate is very close to the experimental measurement. Furthermore, this model and associated analysis provides solid theoretical evidences to clarify the definition of nucleation rate and understand nucleation phenomenon with the insight into the physical nature.

Avalanche atomic switching in strain engineered Sb2Te3-GeTe interfacial phase-change memory cells

NASA Astrophysics Data System (ADS)

Zhou, Xilin; Behera, Jitendra K.; Lv, Shilong; Wu, Liangcai; Song, Zhitang; Simpson, Robert E.

2017-09-01

By confining phase transitions to the nanoscale interface between two different crystals, interfacial phase change memory heterostructures represent the state of the art for energy efficient data storage. We present the effect of strain engineering on the electrical switching performance of the {{Sb}}2{{Te}}3-GeTe superlattice van der Waals devices. Multiple Ge atoms switching through a two-dimensional Te layer reduces the activation barrier for further atoms to switch; an effect that can be enhanced by biaxial strain. The out-of-plane phonon mode of the GeTe crystal remains active in the superlattice heterostructures. The large in-plane biaxial strain imposed by the {{Sb}}2{{Te}}3 layers on the GeTe layers substantially improves the switching speed, reset energy, and cyclability of the superlattice memory devices. Moreover, carefully controlling residual stress in the layers of {{Sb}}2{{Te}}3-GeTe interfacial phase change memories provides a new degree of freedom to design the properties of functional superlattice structures for memory and photonics applications.

2008 Summer Research Institute Interfacial and Condensed Phase Chemical Physics Annual Report

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

Garrett, Bruce C.; Tonkyn, Russell G.; Avery, Nachael B.

2008-11-01

For the fifth year, the Pacific Northwest National Laboratory in Richland, Washington, invited graduate students, postdoctoral fellows, university faculty, and students entering graduate students from around the world to participate in the Summer Research Institute in Interfacial and Condensed Phase Chemical Physics. The institute offers participants the opportunity to gain hands-on experience in top-notch research laboratories while working along internationally respected mentors. Of the 38 applicants, 20 were accepted for the 8- to 10-week program. The participants came from universities as close as Seattle and Portland and as far away as Germany and Singapore. At Pacific Northwest National Laboratory, themore » 20 participants were mentored by 13 scientists. These mentors help tailor the participant’s experience to the needs of that person. Further, the mentors provide guidance on experimental and theoretical techniques, research design and completion, and other aspects of scientific careers in interfacial and condensed phase chemical physics. The research conducted at the institute can result in tangible benefits for the participants. For example, many have co-authored papers that have been published in peer-reviewed journals, including top-rated journals such as Science. Also, they have presented their research at conferences, such as the Gordon Research Conference on Dynamics at Surfaces and the AVS national meeting. Beyond that, many of the participants have started building professional connections with researchers at Pacific Northwest National Laboratory, connections that will serve them well during their careers.« less

Water at Biological Phase Boundaries: Its Role in Interfacial Activation of Enzymes and Metabolic Pathways.

PubMed

Damodaran, Srinivasan

2015-01-01

Many life-sustaining activities in living cells occur at the membrane-water interface. The pertinent questions that we need to ask are, what are the evolutionary reasons in biology for choosing the membrane-water interface as the site for performing and/or controlling crucial biological reactions, and what is the key physical principle that is very singular to the membrane-water interface that biology exploits for regulating metabolic processes in cells? In this chapter, a hypothesis is developed, which espouses that cells control activities of membrane-bound enzymes through manipulation of the thermodynamic activity of water in the lipid-water interfacial region. The hypothesis is based on the fact that the surface pressure of a lipid monolayer is a direct measure of the thermodynamic activity of water at the lipid-water interface. Accordingly, the surface pressure-dependent activation or inactivation of interfacial enzymes is directly related to changes in the thermodynamic activity of interfacial water. Extension of this argument suggests that cells may manipulate conformations (and activities) of membrane-bound enzymes by manipulating the (re)activity of interfacial water at various locations in the membrane by localized compression or expansion of the interface. In this respect, cells may use the membrane-bound hormone receptors, lipid phase transition, and local variations in membrane lipid composition as effectors of local compression and/or expansion of membrane, and thereby local water activity. Several experimental data in the literature will be reexamined in the light of this hypothesis.

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

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

Xia Wang; Xiaodong Sun; Benjamin Doup

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

Gold Nanoparticle Monolayers from Sequential Interfacial Ligand Exchange and Migration in a Three-Phase System

PubMed Central

Yang, Guang; Hallinan, Daniel T.

2016-01-01

Using a three-phase system, centimeter-scale monolayer gold nanoparticle (Au NP) films have been prepared that have long-range order and hydrophobic ligands. The system contains an interface between an aqueous phase containing Au NPs and an oil phase containing one of various types of amine ligands, and a water/air interface. As the Au NPs diffuse to the water/oil interface, ligand exchange takes place which temporarily traps them at the water/oil interface. The ligand-exchanged particles then spontaneously migrate to the air/water interface, where they self-assemble, forming a monolayer under certain conditions. The spontaneous formation of the NP film at the air/water interface was due to the minimization of the system Helmholtz free energy. However, the extent of surface functionalization was dictated by kinetics. This decouples interfacial ligand exchange from interfacial self-assembly, while maintaining the simplicity of a single system. The interparticle center-to-center distance was dictated by the amine ligand length. The Au NP monolayers exhibit tunable surface plasma resonance and excellent spatial homogeneity, which is useful for surface-enhanced Raman scattering. The “air/water/oil” self-assembly method developed here not only benefits the fundamental understanding of NP ligand conformations, but is also applicable to the manufacture of plasmonic nanoparticle devices with precisely designed optical properties. PMID:27762394

Interfacial reaction and microstructure between the Sn3Ag0.5Cu solder and Cu-Co dual-phase substrate

NASA Astrophysics Data System (ADS)

Li, Chao; Hu, Xiaowu; Jiang, Xiongxin; Li, Yulong

2018-07-01

In this study, interfacial reactions and microstructures of the Sn3Ag0.5Cu (SAC305)/Cu- xCo ( x = 0, 30 and 50 wt%) systems were investigated during reflowing at 290 °C and solid-state aging at 150 °C for various time. The effects of different contents of Co in substrate on interfacial reaction in SAC305/Cu- xCo system were discussed. It was found that the addition of Co into pure copper substrate to achieve alloying would effectively inhibit the growth of IMC layers. Comparison among the thickness of the intermetallic compound (IMC) in three kinds of SAC305/Cu-Co systems indicated that the IMC layer of SAC305/Cu joint was thicker than that of the other two types of solder joints. The composition of the SAC305/Cu IMC layers was Cu6Sn5 and Cu3Sn. Three kinds of reaction phases (Cu,Co)6Sn5, (Cu,Co)Sn2 and (Cu,Co)3Sn were found at the interfaces of the SAC305/Cu-30Co and SAC305/Cu-50Co joints. Remarkably the (Cu,Co)Sn2 phase was found adjacent to the Co-rich phase after soldering and eliminated after the aging treatment. While the (Cu,Co)3Sn phase accumulated increasingly adjacent to the substrate with the increased aging time. The results suggested that the Co content increased from 30 to 50 wt% in substrate lead to significant restraint of the growth of interfacial IMC. In addition, the thickness of the interfacial IMC layer was linear with the square root of the aging time during the aging process. The reaction rate between Sn atoms in solder and Cu, Co atoms in substrate was quite different, which lead to the fact that the interface of SAC305/Cu-Co is uneven on the side of substrate after reflowing and aging.

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

NASA Astrophysics Data System (ADS)

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

2017-11-01

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

Resistive switching characteristics of interfacial phase-change memory at elevated temperature

NASA Astrophysics Data System (ADS)

Mitrofanov, Kirill V.; Saito, Yuta; Miyata, Noriyuki; Fons, Paul; Kolobov, Alexander V.; Tominaga, Junji

2018-04-01

Interfacial phase-change memory (iPCM) devices were fabricated using W and TiN for the bottom and top contacts, respectively, and the effect of operation temperature on the resistive switching was examined over the range between room temperature and 200 °C. It was found that the high-resistance (RESET) state in an iPCM device drops sharply at around 150 °C to a low-resistance (SET) state, which differs by ˜400 Ω from the SET state obtained by electric-field-induced switching. The iPCM device SET state resistance recovered during the cooling process and remained at nearly the same value for the RESET state. These resistance characteristics greatly differ from those of the conventional Ge-Sb-Te (GST) alloy phase-change memory device, underscoring the fundamentally different switching nature of iPCM devices. From the thermal stability measurements of iPCM devices, their optimal temperature operation was concluded to be less than 100 °C.

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

PubMed

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

2012-10-16

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

Domain Nucleation Rates and Interfacial Line Tensions in Supported Bilayers of Ternary Mixtures Containing Galactosylceramide

PubMed Central

Blanchette, Craig D.; Lin, Wan-Chen; Orme, Christine A.; Ratto, Timothy V.; Longo, Marjorie L.

2008-01-01

Domains within the plane of the plasma membrane, referred to as membrane rafts, have been a topic of considerable interest in the field of membrane biophysics. Although model membrane systems have been used extensively to study lipid phase behavior as it relates to the existence of rafts, very little work has focused on either the initial stage of lipid domain nucleation, or the relevant physical parameters such as temperature and interfacial line tension which control nucleation. In this work, we utilize a method in which the kinetic process of lipid domain nucleation is imaged by atomic force microscopy and modeled using classical theory of nucleation to map interfacial line tension in ternary lipid mixtures. These mixtures consist of a fluid phase lipid component (1,2-dilauroyl-sn-glycero-3-phosphocholine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, or 1,2-dioleoyl-sn-glycero-3-phosphocholine), a solid phase component (galactosylceramide), and cholesterol. Interfacial line tension measurements of galactosylceramide-rich domains track with our previously measured area/perimeter ratios and height mismatches measured here. Line tension also follows known trends in cholesterol interactions and partitioning, as we observed previously with area/perimeter ratios. Our line tension measurements are discussed in combination with recent line tension measurements to address line tension regulation by cholesterol and the dynamic nature of membrane rafts. PMID:18065459

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.

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

PubMed

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

2001-12-15

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

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.

Cell Partition in Two Polymer Aqueous Phases

NASA Technical Reports Server (NTRS)

Brooks, D. E.

1985-01-01

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

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

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

X. Wang; X. Sun; H. Zhao

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

Interfacial thermodynamics of water and six other liquid solvents.

PubMed

Pascal, Tod A; Goddard, William A

2014-06-05

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

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

NASA Astrophysics Data System (ADS)

Ivanov, Aleksey S.

2018-05-01

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

A Study of the Stability Mechanism of the Dispersed Particle Gel Three-Phase Foam Using the Interfacial Dilational Rheology Method.

PubMed

Yao, Xue; Yi, Ping; Zhao, Guang; Sun, Xin; Dai, Caili

2018-04-28

The dispersed particle gel (DPG) three-phase foam is a novel profile control and flooding system. The stability mechanism of the DPG three-phase foam was studied using an interfacial dilational rheology method. The results show that the elastic modulus of the DPG three-phase foam is up to 14 mN/m, which is much higher than the traditional foam. The increase in interface elasticity produces significantly positive effects on foam stability. Emphasis is given to the influences of frequency, temperature, pressure, and concentration on the viscoelasticity and interfacial adsorption of DPG particles, which change the modules of the foam interface and have a significant effect on foam stability. In addition, the microstructure of the DPG three-phase foam was observed. A viscoelastic shell is formed by the aggregation of the DPG particles on the interface. The irreversible adsorption gives the interface high elasticity and mechanical strength. The electrostatic repulsion between particles increases the spacing between bubbles. The combined effects of these factors give the interface higher mechanical strength, slow down the film drainage, effectively prevent gas permeation, and significantly improve the foam stability.

A Study of the Stability Mechanism of the Dispersed Particle Gel Three-Phase Foam Using the Interfacial Dilational Rheology Method

PubMed Central

Yi, Ping; Zhao, Guang; Sun, Xin; Dai, Caili

2018-01-01

The dispersed particle gel (DPG) three-phase foam is a novel profile control and flooding system. The stability mechanism of the DPG three-phase foam was studied using an interfacial dilational rheology method. The results show that the elastic modulus of the DPG three-phase foam is up to 14 mN/m, which is much higher than the traditional foam. The increase in interface elasticity produces significantly positive effects on foam stability. Emphasis is given to the influences of frequency, temperature, pressure, and concentration on the viscoelasticity and interfacial adsorption of DPG particles, which change the modules of the foam interface and have a significant effect on foam stability. In addition, the microstructure of the DPG three-phase foam was observed. A viscoelastic shell is formed by the aggregation of the DPG particles on the interface. The irreversible adsorption gives the interface high elasticity and mechanical strength. The electrostatic repulsion between particles increases the spacing between bubbles. The combined effects of these factors give the interface higher mechanical strength, slow down the film drainage, effectively prevent gas permeation, and significantly improve the foam stability. PMID:29710805

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

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

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

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

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

Interfacial bioconjugation on emulsion droplet for biosensors.

PubMed

Zhang, Qifan; Scigliano, Anita; Biver, Tarita; Pucci, Andrea; Swager, Timothy M

2018-04-13

Interfacial bioconjugation methods are developed for intact liquid emulsion droplets. Complex emulsion droplets having internal hydrocarbon and fluorocarbon immiscible structured phases maintain a dynamic interface for controlled interfacial reactivity. The internal morphological change after binding to biomolecules is readily visualized and detected by light transmission, which provides a platform for the formation of inexpensive and portable bio-sensing assays for enzymes, antibodies, nucleic acids and carbohydrates. Copyright © 2018. Published by Elsevier Ltd.

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.

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.

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

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.

Tunable Interfacial Thermal Conductance by Molecular Dynamics

NASA Astrophysics Data System (ADS)

Shen, Meng

We study the mechanism of tunable heat transfer through interfaces between solids using a combination of non-equilibrium molecular dynamics simulation (NEMD), vibrational mode analysis and wave packet simulation. We investigate how heat transfer through interfaces is affected by factors including pressure, interfacial modulus, contact area and interfacial layer thickness, with an overreaching goal of developing fundamental knowledge that will allow one to tailor thermal properties of interfacial materials. The role of pressure and interfacial stiffness is unraveled by our studies on an epitaxial interface between two Lennard-Jones (LJ) crystals. The interfacial stiffness is varied by two different methods: (i) indirectly by applying pressure which due to anharmonic nature of bonding, increases interfacial stiffness, and (ii) directly by changing the interfacial bonding strength by varying the depth of the potential well of the LJ potential. When the interfacial bonding strength is low, quantitatively similar behavior to pressure tuning is observed when the interfacial thermal conductance is increased by directly varying the potential-well depth parameter of the LJ potential. By contrast, when the interfacial bonding strength is high, thermal conductance is almost pressure independent, and even slightly decreases with increasing pressure. This decrease can be explained by the change in overlap between the vibrational densities of states of the two crystalline materials. The role of contact area is studied by modeling structures comprised of Van der Waals junctions between single-walled nanotubes (SWCNT). Interfacial thermal conductance between SWCNTs is obtained from NEMD simulation as a function of crossing angle. In this case the junction conductance per unit area is essentially a constant. By contrast, interfacial thermal conductance between multiwalled carbon nanotubes (MWCNTs) is shown to increase with diameter of the nanotubes by recent experimental studies [1

Nonequilibrium Interfacial Tension in Simple and Complex Fluids

NASA Astrophysics Data System (ADS)

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

2016-10-01

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

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

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

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

2012-06-01

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

Interfacial Reaction and Mechanical Properties of Sn-Bi Solder joints

PubMed Central

Huang, Ying; Zhang, Zhijie

2017-01-01

Sn-Bi solder with different Bi content can realize a low-to-medium-to-high soldering process. To obtain the effect of Bi content in Sn-Bi solder on the microstructure of solder, interfacial behaviors in solder joints with Cu and the joints strength, five Sn-Bi solders including Sn-5Bi and Sn-15Bi solid solution, Sn-30Bi and Sn-45Bi hypoeutectic and Sn-58Bi eutectic were selected in this work. The microstructure, interfacial reaction under soldering and subsequent aging and the shear properties of Sn-Bi solder joints were studied. Bi content in Sn-Bi solder had an obvious effect on the microstructure and the distribution of Bi phases. Solid solution Sn-Bi solder was composed of the β-Sn phases embedded with fine Bi particles, while hypoeutectic Sn-Bi solder was composed of the primary β-Sn phases and Sn-Bi eutectic structure from networked Sn and Bi phases, and eutectic Sn-Bi solder was mainly composed of a eutectic structure from short striped Sn and Bi phases. During soldering with Cu, the increase on Bi content in Sn-Bi solder slightly increased the interfacial Cu6Sn5 intermetallic compound (IMC)thickness, gradually flattened the IMC morphology, and promoted the accumulation of more Bi atoms to interfacial Cu6Sn5 IMC. During the subsequent aging, the growth rate of the IMC layer at the interface of Sn-Bi solder/Cu rapidly increased from solid solution Sn-Bi solder to hypoeutectic Sn-Bi solder, and then slightly decreased for Sn-58Bi solder joints. The accumulation of Bi atoms at the interface promoted the rapid growth of interfacial Cu6Sn5 IMC layer in hypoeutectic or eutectic Sn-Bi solder through blocking the formation of Cu6Sn5 in solder matrix and the transition from Cu6Sn5 to Cu3Sn. Ball shear tests on Sn-Bi as-soldered joints showed that the increase of Bi content in Sn-Bi deteriorated the shear strength of solder joints. The addition of Bi into Sn solder was also inclined to produce brittle morphology with interfacial fracture, which suggests that the

Fundamental insights into interfacial catalysis.

PubMed

Gong, Jinlong; Bao, Xinhe

2017-04-03

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

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

PubMed

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

2017-10-30

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

Interfacial free energy controlling glass-forming ability of Cu-Zr alloys.

PubMed

Kang, Dong-Hee; Zhang, Hao; Yoo, Hanbyeol; Lee, Hyun Hwi; Lee, Sooheyong; Lee, Geun Woo; Lou, Hongbo; Wang, Xiaodong; Cao, Qingping; Zhang, Dongxian; Jiang, Jianzhong

2014-06-04

Glass is a freezing phase of a deeply supercooled liquid. Despite its simple definition, the origin of glass forming ability (GFA) is still ambiguous, even for binary Cu-Zr alloys. Here, we directly study the stability of the supercooled Cu-Zr liquids where we find that Cu64Zr36 at a supercooled temperature shows deeper undercoolability and longer persistence than other neighbouring compositions with an equivalent driving Gibbs free energy. This observation implies that the GFA of the Cu-Zr alloys is significantly affected by crystal-liquid interfacial free energy. In particular, the crystal-liquid interfacial free energy of Cu64Zr36 in our measurement was higher than that of other neighbouring liquids and, coincidently a molecular dynamics simulation reveals a larger glass-glass interfacial energy value at this composition, which reflects more distinct configuration difference between liquid and crystal phase. The present results demonstrate that the higher crystal-liquid interfacial free energy is a prerequisite of good GFA of the Cu-Zr alloys.

Single-Molecule Interfacial Electron Transfer

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

Lu, H. Peter

This project is focused on the use of single-molecule high spatial and temporal resolved techniques to study molecular dynamics in condensed phase and at interfaces, especially, the complex reaction dynamics associated with electron and energy transfer rate processes. The complexity and inhomogeneity of the interfacial ET dynamics often present a major challenge for a molecular level comprehension of the intrinsically complex systems, which calls for both higher spatial and temporal resolutions at ultimate single-molecule and single-particle sensitivities. Combined single-molecule spectroscopy and electrochemical atomic force microscopy approaches are unique for heterogeneous and complex interfacial electron transfer systems because the static andmore » dynamic inhomogeneities can be identified and characterized by studying one molecule at a specific nanoscale surface site at a time. The goal of our project is to integrate and apply these spectroscopic imaging and topographic scanning techniques to measure the energy flow and electron flow between molecules and substrate surfaces as a function of surface site geometry and molecular structure. We have been primarily focusing on studying interfacial electron transfer under ambient condition and electrolyte solution involving both single crystal and colloidal TiO 2 and related substrates. The resulting molecular level understanding of the fundamental interfacial electron transfer processes will be important for developing efficient light harvesting systems and broadly applicable to problems in fundamental chemistry and physics. We have made significant advancement on deciphering the underlying mechanism of the complex and inhomogeneous interfacial electron transfer dynamics in dyesensitized TiO 2 nanoparticle systems that strongly involves with and regulated by molecule-surface interactions. We have studied interfacial electron transfer on TiO 2 nanoparticle surfaces by using ultrafast single-molecule spectroscopy

Laser Ablation Increases PEM/Catalyst Interfacial Area

NASA Technical Reports Server (NTRS)

Whitacre, Jay; Yalisove, Steve

2009-01-01

An investigational method of improving the performance of a fuel cell that contains a polymer-electrolyte membrane (PEM) is based on the concept of roughening the surface of the PEM, prior to deposition of a thin layer of catalyst, in order to increase the PEM/catalyst interfacial area and thereby increase the degree of utilization of the catalyst. The roughening is done by means of laser ablation under carefully controlled conditions. Next, the roughened membrane surface is coated with the thin layer of catalyst (which is typically platinum), then sandwiched between two electrode/catalyst structures to form a membrane/ele c t - rode assembly. The feasibility of the roughening technique was demonstrated in experiments in which proton-conducting membranes made of a perfluorosulfonic acid-based hydrophilic, protonconducting polymer were ablated by use of femtosecond laser pulses. It was found that when proper combinations of the pulse intensity, pulse-repetition rate, and number of repetitions was chosen, the initially flat, smooth membrane surfaces became roughened to such an extent as to be converted to networks of nodules interconnected by filaments (see Figure 1). In further experiments, electrochemical impedance spectroscopy (EIS) was performed on a pristine (smooth) membrane and on two laser-roughened membranes after the membranes were coated with platinum on both sides. Some preliminary EIS data were interpreted as showing that notwithstanding the potential for laser-induced damage, the bulk conductivities of the membranes were not diminished in the roughening process. Other preliminary EIS data (see Figure 2) were interpreted as signifying that the surface areas of the laser-roughened membranes were significantly greater than those of the smooth membrane. Moreover, elemental analyses showed that the sulfur-containing molecular groups necessary for proton conduction remained intact, even near the laser-roughened surfaces. These preliminary results can be taken

Phase Equilibria of the Ternary Sn-Pb-Co System at 250°C and Interfacial Reactions of Co with Sn-Pb Alloys

NASA Astrophysics Data System (ADS)

Wang, Chao-hong; Kuo, Chun-yi; Yang, Nian-cih

2015-11-01

The isothermal section of the ternary Sn-Pb-Co system at 250°C was experimentally determined through a series of the equilibrated Sn-Pb-Co alloys of various compositions. The equilibrium phases were identified on the basis of compositional analysis. For the Sn-Co intermetallic compounds (IMCs), CoSn3, CoSn2, CoSn and Co3Sn2, the Pb solubility was very limited. There exist five tie-triangle regions. The Co-Pb system involves one monotectic reaction, so the phase separation of liquid alloys near the Co-Pb side occurred prior to solidification. The immiscibility field was also determined. Additionally, interfacial reactions between Co and Sn-Pb alloys were conducted. The reaction phase for the Sn-48 at.%Pb and Sn-58 at.%Pb at 250°C was CoSn3 and CoSn2, respectively. Both of them were simultaneously formed in the Sn-53 at.%Pb/Co. The formed IMCs were closely associated to the phase equilibria relationship of the liquid-CoSn3-CoSn2 tie-triangle. Furthermore, with increasing temperatures, the phase formed in equilibrium with Sn-37 wt.%Pb was found to transit from CoSn3 to CoSn2 at 275°C. We propose a simple method of examining the phase transition temperature in the interfacial reactions to determine the boundaries of the liquid-CoSn3-CoSn2 tie-triangles at different temperatures.

Interfacial behavior of polymer electrolytes

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

Kerr, John; Kerr, John B.; Han, Yong Bong

2003-06-03

Evidence is presented concerning the effect of surfaces on the segmental motion of PEO-based polymer electrolytes in lithium batteries. For dry systems with no moisture the effect of surfaces of nano-particle fillers is to inhibit the segmental motion and to reduce the lithium ion transport. These effects also occur at the surfaces in composite electrodes that contain considerable quantities of carbon black nano-particles for electronic connection. The problem of reduced polymer mobility is compounded by the generation of salt concentration gradients within the composite electrode. Highly concentrated polymer electrolytes have reduced transport properties due to the increased ionic cross-linking. Combinedmore » with the interfacial interactions this leads to the generation of low mobility electrolyte layers within the electrode and to loss of capacity and power capability. It is shown that even with planar lithium metal electrodes the concentration gradients can significantly impact the interfacial impedance. The interfacial impedance of lithium/PEO-LiTFSI cells varies depending upon the time elapsed since current was turned off after polarization. The behavior is consistent with relaxation of the salt concentration gradients and indicates that a portion of the interfacial impedance usually attributed to the SEI layer is due to concentrated salt solutions next to the electrode surfaces that are very resistive. These resistive layers may undergo actual phase changes in a non-uniform manner and the possible role of the reduced mobility polymer layers in dendrite initiation and growth is also explored. It is concluded that PEO and ethylene oxide-based polymers are less than ideal with respect to this interfacial behavior.« less

On the interfacial thermodynamics of nanoscale droplets and bubbles

NASA Astrophysics Data System (ADS)

Corti, David S.; Kerr, Karl J.; Torabi, Korosh

2011-07-01

prediction, which is allowed by thermodynamics, is consistent with the interpretation that the mother phase's attempted compression of the droplet is counterbalanced by the negative surface tension, or free energy cost to decrease the interfacial area. Furthermore, for these same droplets, the surface of tension can no longer be meaningfully defined (the surface of tension always remains well defined in the Gibbsian method). Within the new method, the dividing surface at which the surface tension equals zero emerges as a new lengthscale, which has various thermodynamic analogs to and similar behavior as the surface of tension.

Perspective: The Asakura Oosawa model: a colloid prototype for bulk and interfacial phase behavior.

PubMed

Binder, Kurt; Virnau, Peter; Statt, Antonia

2014-10-14

In many colloidal suspensions, the micrometer-sized particles behave like hard spheres, but when non-adsorbing polymers are added to the solution a depletion attraction (of entropic origin) is created. Since 60 years the Asakura-Oosawa model, which simply describes the polymers as ideal soft spheres, is an archetypical description for the statistical thermodynamics of such systems, accounting for many features of real colloid-polymer mixtures very well. While the fugacity of the polymers (which controls their concentration in the solution) plays a role like inverse temperature, the size ratio of polymer versus colloid radii acts as a control parameter to modify the phase diagram: when this ratio is large enough, a vapor-liquid like phase separation occurs at low enough colloid packing fractions, up to a triple point where a liquid-solid two-phase coexistence region takes over. For smaller size ratios, the critical point of the phase separation and the triple point merge, resulting in a single two-phase coexistence region between fluid and crystalline phases (of "inverted swan neck"-topology, with possibly a hidden metastable phase separation). Furthermore, liquid-crystalline ordering may be found if colloidal particles of non-spherical shape (e.g., rod like) are considered. Also interactions of the particles with solid surfaces should be tunable (e.g., walls coated by polymer brushes), and interfacial phenomena are particularly interesting experimentally, since fluctuations can be studied in the microscope on all length scales, down to the particle level. Due to its simplicity this model has become a workhorse for both analytical theory and computer simulation. Recently, generalizations addressing dynamic phenomena (phase separation, crystal nucleation, etc.) have become the focus of studies.

Perspective: The Asakura Oosawa model: A colloid prototype for bulk and interfacial phase behavior

NASA Astrophysics Data System (ADS)

Binder, Kurt; Virnau, Peter; Statt, Antonia

2014-10-01

In many colloidal suspensions, the micrometer-sized particles behave like hard spheres, but when non-adsorbing polymers are added to the solution a depletion attraction (of entropic origin) is created. Since 60 years the Asakura-Oosawa model, which simply describes the polymers as ideal soft spheres, is an archetypical description for the statistical thermodynamics of such systems, accounting for many features of real colloid-polymer mixtures very well. While the fugacity of the polymers (which controls their concentration in the solution) plays a role like inverse temperature, the size ratio of polymer versus colloid radii acts as a control parameter to modify the phase diagram: when this ratio is large enough, a vapor-liquid like phase separation occurs at low enough colloid packing fractions, up to a triple point where a liquid-solid two-phase coexistence region takes over. For smaller size ratios, the critical point of the phase separation and the triple point merge, resulting in a single two-phase coexistence region between fluid and crystalline phases (of "inverted swan neck"-topology, with possibly a hidden metastable phase separation). Furthermore, liquid-crystalline ordering may be found if colloidal particles of non-spherical shape (e.g., rod like) are considered. Also interactions of the particles with solid surfaces should be tunable (e.g., walls coated by polymer brushes), and interfacial phenomena are particularly interesting experimentally, since fluctuations can be studied in the microscope on all length scales, down to the particle level. Due to its simplicity this model has become a workhorse for both analytical theory and computer simulation. Recently, generalizations addressing dynamic phenomena (phase separation, crystal nucleation, etc.) have become the focus of studies.

Interfacial reactions between metal and gallium arsenide

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

Lin, J.C.; Schulz, K.J.; Hsieh, K.C.

1989-10-01

The phase formation sequence for GaAs/metal ternary diffusion couples is discussed. The diffusion path concept is introduced and is used with the phase diagram to understand interfacial reactions between GaAs and metal. The correlation between growth kinetics and interface morphology is discussed. Studies of bulk and thin film couples in two systems, GaAs/Pd and GaAs/Pt, are given to illustrate these concepts.

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

PubMed

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

2017-12-01

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

Interfacial crowding of nanoplatelets in co-continuous polymer blends: assembly, elasticity and structure of the interfacial nanoparticle network.

PubMed

Altobelli, R; Salzano de Luna, M; Filippone, G

2017-09-27

The sequence of events which leads to the interfacial crowding of plate-like nanoparticles in co-continuous polymer blends is investigated through a combination of morphological and rheological analyses. Very low amounts (∼0.2 vol%) of organo-modified clay are sufficient to suppress phase coarsening in a co-continuous polystyrene/poly(methyl methacrylate) blend, while lower particle loading allows for a tuning of the characteristic size of the polymer phases at the μm-scale. In any case, an interfacial network of nanoparticles eventually forms, which is driven by the preferred polymer-polymer interface. The elastic features and stress-bearing ability of this peculiar nanoparticle assembly are studied in detail by means of a descriptive two-phase viscoelastic model, which allows isolation of the contribution of the filler network. The role of the co-continuous matrix in driving the space arrangement of the nanoparticles is emphasized by means of comparative analysis with systems based on the same polymers and nanoparticles, but in which the matrix is either a pure polymer or a blend with drop-in-matrix morphology. The relaxation dynamics of the interfacial network was found not to depend on the matrix microstructure, which instead substantially affects the assembly of the nanoplatelets. When the host medium is co-continuous, the particles align along the preferred polymer-polymer interface, percolating at a very low amount (∼0.17 vol%) and prevalently interacting edge-to-edge. The stress bearing ability of such a network is much higher than that in the case of matrix based on a homogeneous polymer or a drop-in-matrix blend, but its elasticity shows low sensitivity to the filler content.

Spontaneous and Flow-Driven Interfacial Phase Change: Dynamics of Microemulsion Formation at the Pore Scale.

PubMed

Tagavifar, Mohsen; Xu, Ke; Jang, Sung Hyun; Balhoff, Matthew T; Pope, Gary A

2017-11-14

The dynamic behavior of microemulsion-forming water-oil-amphiphiles mixtures is investigated in a 2.5D micromodel. The equilibrium phase behavior of such mixtures is well-understood in terms of macroscopic phase transitions. However, what is less understood and where experimental data are lacking is the coupling between the phase change and the bulk flow. Herein, we study the flow of an aqueous surfactant solution-oil mixture in porous media and analyze the dependence of phase formation and spatial phase configurations on the bulk flow rate. We find that a microemulsion forms instantaneously as a boundary layer at the initial surface of contact between the surfactant solution and oil. The boundary layer is temporally continuous because of the imposed convection. In addition to the imposed flow, we observe spontaneous pulsed Marangoni flows that drag the microemulsion and surfactant solution into the oil stream, forming large (macro)emulsion droplets. The formation of the microemulsion phase at the interface distinguishes the situation from that of the more common Marangoni flow with only two phases present. Additionally, an emulsion forms via liquid-liquid nucleation or the Ouzo effect (i.e., spontaneous emulsification) at low flow rates and via mechanical mixing at high flow rates. With regard to multiphase flow, contrary to the common belief that the microemulsion is the wetting liquid, we observe that the minor oil phase wets the solid surface. We show that a layered flow pattern is formed because of the out-of-equilibrium phase behavior at high volumetric flow rates (order of 2 m/day) where advection is much faster than the diffusive interfacial mass transfer and transverse mixing, which promote equilibrium behavior. At lower flow rates (order of 30 cm/day), however, the dynamic and equilibrium phase behaviors are well-correlated. These results clearly show that the phase change influences the macroscale flow behavior.

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.

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

NASA Astrophysics Data System (ADS)

Basak, Anup; Levitas, Valery I.

2018-04-01

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

Three-Dimensional Visualization of Interfacial Phenomena Using Confocal Microscopy

NASA Astrophysics Data System (ADS)

Shieh, Ian C.

of the various lipid constituents of lung surfactant. Confocal microscopy allows us to use a water-soluble, cationic fluorophore that partitions into the disordered phases of lipid monolayers. By exploiting the properties of this water-soluble fluorophore, we investigate both the phase behavior and electrostatics of the interfacial lipid systems. Overall, we believe the work presented in this dissertation provides the building blocks for establishing confocal microscopy as a ubiquitous characterization technique in the interfacial and surface sciences.

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

NASA Astrophysics Data System (ADS)

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

2015-12-01

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

Comprehensive studies of interfacial strain and oxygen vacancy on metal-insulator transition of VO2 film

NASA Astrophysics Data System (ADS)

Fan, L. L.; Chen, S.; Liao, G. M.; Chen, Y. L.; Ren, H.; Zou, C. W.

2016-06-01

As a typical strong correlation material, vanadium dioxide (VO2) has attracted wide interest due to its particular metal-insulator transition (MIT) property. However, the relatively high critical temperature (T c) of ~68 °C seriously hinders its practical applications. Thus modulating the phase transition process and decreasing the T c close to room temperature have been hot topics for VO2 study. In the current work, we conducted a multi-approach strategy to control the phase transition of VO2 films, including the interfacial tensile/compressive strain and oxygen vacancies. A synchrotron radiation reciprocal space mapping technique was used to directly record the interfacial strain evolution and variations of lattice parameters. The effects of interfacial strain and oxygen vacancies in the MIT process were systematically investigated based on band structure and d-orbital electron occupation. It was suggested that the MIT behavior can be modulated through the combined effects of the interfacial strain and oxygen vacancies, achieving the distinct phase transition close to room temperature. The current findings not only provide better understanding for strain engineering and oxygen vacancies controlling phase transition behavior, but also supply a combined way to control the phase transition of VO2 film, which is essential for VO2 film based device applications in the future.

Comprehensive studies of interfacial strain and oxygen vacancy on metal-insulator transition of VO2 film.

PubMed

Fan, L L; Chen, S; Liao, G M; Chen, Y L; Ren, H; Zou, C W

2016-06-29

As a typical strong correlation material, vanadium dioxide (VO2) has attracted wide interest due to its particular metal-insulator transition (MIT) property. However, the relatively high critical temperature (T c) of ~68 °C seriously hinders its practical applications. Thus modulating the phase transition process and decreasing the T c close to room temperature have been hot topics for VO2 study. In the current work, we conducted a multi-approach strategy to control the phase transition of VO2 films, including the interfacial tensile/compressive strain and oxygen vacancies. A synchrotron radiation reciprocal space mapping technique was used to directly record the interfacial strain evolution and variations of lattice parameters. The effects of interfacial strain and oxygen vacancies in the MIT process were systematically investigated based on band structure and d-orbital electron occupation. It was suggested that the MIT behavior can be modulated through the combined effects of the interfacial strain and oxygen vacancies, achieving the distinct phase transition close to room temperature. The current findings not only provide better understanding for strain engineering and oxygen vacancies controlling phase transition behavior, but also supply a combined way to control the phase transition of VO2 film, which is essential for VO2 film based device applications in the future.

Interfacial characteristics of hybrid nanocomposite under thermomechanical loading

NASA Astrophysics Data System (ADS)

Choyal, Vijay; Kundalwal, Shailesh I.

2017-12-01

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

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

PubMed

Momeni, Kasra; Levitas, Valery I

2016-04-28

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

Effect of demulsifiers on interfacial properties governing crude oil demulsification

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

Mukherjee, S.; Kushnick, A.P.

1988-05-01

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

Specific interface area and self-stirring in a two-liquid system experiencing intense interfacial boiling below the bulk boiling temperatures of both components

NASA Astrophysics Data System (ADS)

Goldobin, Denis S.; Pimenova, Anastasiya V.

2017-04-01

We present an approach to theoretical assessment of the mean specific interface area (δ S/δ V) for a well-stirred system of two immiscible liquids experiencing interfacial boiling. The assessment is based on the balance of transformations of mechanical energy and the laws of the momentum and heat transfer in the turbulent boundary layer. The theory yields relations between the specific interface area and the characteristics of the system state. In particular, this allows us to derive the equations of self-cooling dynamics of the system in the absence of external heat supply. The results provide possibility for constructing a self-contained mathematical description of the process of interfacial boiling. In this study, we assume the volume fractions of two components to be similar as well as the values of their kinematic viscosity and molecular heat diffusivity.

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

NASA Astrophysics Data System (ADS)

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

2017-03-01

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

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

Coupling of order parameters, chirality, and interfacial structures in multiferroic materials.

PubMed

Conti, Sergio; Müller, Stefan; Poliakovsky, Arkady; Salje, Ekhard K H

2011-04-13

We study optimal interfacial structures in multiferroic materials with a biquadratic coupling between two order parameters. We discover a new duality relation between the strong coupling and the weak coupling regime for the case of isotropic gradient terms. We analyze the phase diagram depending on the coupling constant and anisotropy of the gradient term, and show that in a certain regime the secondary order parameter becomes activated only in the interfacial region.

Environmental Applications of Interfacial Materials with Special Wettability

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

Wang, Zhangxin; Elimelech, Menachem; Lin, Shihong

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

Environmental Applications of Interfacial Materials with Special Wettability

DOE PAGES

Wang, Zhangxin; Elimelech, Menachem; Lin, Shihong

2016-02-01

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

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.

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.

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

NASA Astrophysics Data System (ADS)

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

2017-04-01

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

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

NASA Astrophysics Data System (ADS)

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

2014-12-01

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

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.

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

PubMed

Ghoshal, Subhasis; Pasion, Catherine; Alshafie, Mohammed

2004-04-01

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

Interfacial Charge Transfer States in Condensed Phase Systems

NASA Astrophysics Data System (ADS)

Vandewal, Koen

2016-05-01

Intermolecular charge transfer (CT) states at the interface between electron-donating (D) and electron-accepting (A) materials in organic thin films are characterized by absorption and emission bands within the optical gap of the interfacing materials. CT states efficiently generate charge carriers for some D-A combinations, and others show high fluorescence quantum efficiencies. These properties are exploited in organic solar cells, photodetectors, and light-emitting diodes. This review summarizes experimental and theoretical work on the electronic structure and interfacial energy landscape at condensed matter D-A interfaces. Recent findings on photogeneration and recombination of free charge carriers via CT states are discussed, and relations between CT state properties and optoelectronic device parameters are clarified.

Surfactant-induced flow compromises determination of air-water interfacial areas by surfactant miscible-displacement.

PubMed

Costanza-Robinson, Molly S; Henry, Eric J

2017-03-01

Surfactant miscible-displacement (SMD) column experiments are used to measure air-water interfacial area (A I ) in unsaturated porous media, a property that influences solute transport and phase-partitioning. The conventional SMD experiment results in surface tension gradients that can cause water redistribution and/or net drainage of water from the system ("surfactant-induced flow"), violating theoretical foundations of the method. Nevertheless, the SMD technique is still used, and some suggest that experimental observations of surfactant-induced flow represent an artifact of improper control of boundary conditions. In this work, we used numerical modeling, for which boundary conditions can be perfectly controlled, to evaluate this suggestion. We also examined the magnitude of surfactant-induced flow and its impact on A I measurement during multiple SMD flow scenarios. Simulations of the conventional SMD experiment showed substantial surfactant-induced flow and consequent drainage of water from the column (e.g., from 75% to 55% S W ) and increases in actual A I of up to 43%. Neither horizontal column orientation nor alternative boundary conditions resolved surfactant-induced flow issues. Even for simulated flow scenarios that avoided surfactant-induced drainage of the column, substantial surfactant-induced internal water redistribution occurred and was sufficient to alter surfactant transport, resulting in up to 23% overestimation of A I . Depending on the specific simulated flow scenario and data analysis assumptions used, estimated A I varied by nearly 40% and deviated up to 36% from the system's initial A I . We recommend methods for A I determination that avoid generation of surface-tension gradients and urge caution when relying on absolute A I values measured via SMD. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ferroelectric/ferrimagnetic composite ceramics with depressed interfacial reaction and low dielectric loss

NASA Astrophysics Data System (ADS)

Zheng, Hui; Weng, Wenjian; Han, Gaorong; Du, Piyi

2014-10-01

(1-x)BaTiO3/xNi0.5Zn0.5Fe2O4 (NZFO) ferroelectric/ferrimagnetic composite ceramics with restricted interfacial reaction were prepared by adopting fine NZFO precursors synthesized by combustion method. The dielectric dispersion, loss, and conductivity are significantly reduced at most compositions, particularly at concentrations below the percolation threshold. At x = 0.3, a frequency-stable permittivity of 2300 and a low loss of 0.04 at 1 kHz is realized. The recovery of the dielectric/electric properties is attributed to the interfacial amorphous phase introduced by the fine NZFO precursors, which can act as barrier for ionic inter-diffusion between the two phases and hopping conduction among ferrites.

Interfacial gauge methods for incompressible fluid dynamics

DOE PAGES

Saye, R.

2016-06-10

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

Interfacial gauge methods for incompressible fluid dynamics

PubMed Central

Saye, Robert

2016-01-01

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

DNA Nanotechnology-Enabled Interfacial Engineering for Biosensor Development.

PubMed

Ye, Dekai; Zuo, Xiaolei; Fan, Chunhai

2018-06-12

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

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

PubMed

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

2011-09-01

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

Interfacial Properties and Mechanisms Dominating Gas Hydrate Cohesion and Adhesion in Liquid and Vapor Hydrocarbon Phases.

PubMed

Hu, Sijia; Koh, Carolyn A

2017-10-24

The interfacial properties and mechanisms of gas hydrate systems play a major role in controlling their interparticle and surface interactions, which is desirable for nearly all energy applications of clathrate hydrates. In particular, preventing gas hydrate interparticle agglomeration and/or particle-surface deposition is critical to the prevention of gas hydrate blockages during the exploration and transportation of oil and gas subsea flow lines. These agglomeration and deposition processes are dominated by particle-particle cohesive forces and particle-surface adhesive force. In this study, we present the first direct measurements on the cohesive and adhesive forces studies of the CH 4 /C 2 H 6 gas hydrate in a liquid hydrocarbon-dominated system utilizing a high-pressure micromechanical force (HP-MMF) apparatus. A CH 4 /C 2 H 6 gas mixture was used as the gas hydrate former in the model liquid hydrocarbon phase. For the cohesive force baseline test, it was found that the addition of liquid hydrocarbon changed the interfacial tension and contact angle of water in the liquid hydrocarbon compared to water in the gas phase, resulting in a force of 23.5 ± 2.5 mN m -1 at 3.45 MPa and 274 K for a 2 h annealing time period in which hydrate shell growth occurs. It was observed that the cohesive force was inversely proportional to the annealing time, whereas the force increased with increasing contact time. For a longer contact time (>12 h), the force could not be measured because the two hydrate particles adhered permanently to form one large particle. The particle-surface adhesive force in the model liquid hydrocarbon was measured to be 5.3 ± 1.1 mN m -1 under the same experimental condition. Finally, with a 1 h contact time, the hydrate particle and the carbon steel (CS) surface were sintered together and the force was higher than what could be measured by the current apparatus. A possible mechanism is presented in this article to describe the effect of contact time

Influence of gravity level and interfacial energies on dispersion-forming tendencies in hypermonotectic Cu-Pb-Al alloys

NASA Technical Reports Server (NTRS)

Andrews, J. B.; Curreri, P. A.; Sandlin, A. C.

1988-01-01

Results on the nondirectional solidification of several hypermonotectic Cu-Pb-Al alloys were obtained aboard NASA's KC-135 zero-gravity aircraft in order to determine the influence of interfacial energies and gravity levels on dispersion-forming tendencies. The Al content was systematially varied in the alloys. The dispersion-forming ability is correlated with gravity level during solidification, the interfacial energy between the immiscible phases, and the tendency for the minority immiscible phase to wet the walls of the crucible.

An Unusual Salt Effect in an Interfacial Nucleophilic Substitution Reaction.

PubMed

Li, Shuheng; Mrksich, Milan

2018-06-12

This paper reports a kinetic characterization of the interfacial reaction of N-methylpyrrolidine with a self-assembled monolayer presenting an iodoalkyl group. SAMDI (self-assembled monolayers for matrix-assisted laser desorption/ionization) mass spectrometry was used to determine the extent of reaction for monolayers that were treated with a range of concentrations of the nucleophile for a range of times. These data revealed a second-order rate constant for the reaction that was approximately 100-fold greater than that for the analogous solution-phase reaction. However, addition of sodium iodide to the reaction mixture resulted in a 7-fold decrease in the reaction rate. Addition of bromide and chloride salts also gave slower rate constants for the reaction, but only at 100- and 1000-fold higher concentrations than was observed with iodide, respectively. The corresponding solution-phase reactions, by contrast, had rate constants that were unaffected by the concentration of halide salts. This work provides a well-characterized example illustrating the extent to which the kinetics and properties of an interfacial reaction can depart substantially from their better-understood solution-phase counterparts.

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

NASA Technical Reports Server (NTRS)

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

1991-01-01

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

Influence of charged defects on the interfacial bonding strength of tantalum- and silver-doped nanograined TiO2.

PubMed

Azadmanjiri, Jalal; Wang, James; Berndt, Christopher C; Kapoor, Ajay; Zhu, De Ming; Ang, Andrew S M; Srivastava, Vijay K

2017-05-17

A nano-grained layer including line defects was formed on the surface of a Ti alloy (Ti alloy , Ti-6Al-4V ELI). Then, the micro- and nano-grained Ti alloy with the formation of TiO 2 on its top surface was coated with a bioactive Ta layer with or without incorporating an antibacterial agent of Ag that was manufactured by magnetron sputtering. Subsequently, the influence of the charged defects (the defects that can be electrically charged on the surface) on the interfacial bonding strength and hardness of the surface system was studied via an electronic model. Thereby, material systems of (i) Ta coated micro-grained titanium alloy (Ta/MGTi alloy ), (ii) Ta coated nano-grained titanium alloy (Ta/NGTi alloy ), (iii) TaAg coated micro-grained titanium alloy (TaAg/MGTi alloy ) and (iv) TaAg coated nano-grained titanium alloy (TaAg/NGTi alloy ) were formed. X-ray photoelectron spectroscopy was used to probe the electronic structure of the micro- and nano-grained Ti alloy , and so-formed heterostructures. The thin film/substrate interfaces exhibited different satellite peak intensities. The satellite peak intensity may be related to the interfacial bonding strength and hardness of the surface system. The interfacial layer of TaAg/NGTi alloy exhibited the highest satellite intensity and maximum hardness value. The increased bonding strength and hardness in the TaAg/NGTi alloy arises due to the negative core charge of the dislocations and neighbor space charge accumulation, as well as electron accumulation in the created semiconductor phases of larger band gap at the interfacial layer. These two factors generate interfacial polarization and enhance the satellite intensity. Consequently, the interfacial bonding strength and hardness of the surface system are improved by the formation of mixed covalent-ionic bonding structures around the dislocation core area and the interfacial layer. The bonding strength relationship by in situ XPS on the metal/TiO 2 interfacial layer may

Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids

NASA Astrophysics Data System (ADS)

Fuentes-Herrera, M.; Moreno-Razo, J. A.; Guzmán, O.; López-Lemus, J.; Ibarra-Tandi, B.

2016-06-01

Molecular simulations in the canonical and isothermal-isobaric ensembles were performed to study the effect of varying the shape of the intermolecular potential on the phase diagram, critical, and interfacial properties of model fluids. The molecular interactions were modeled by the Approximate Non-Conformal (ANC) theory potentials. Unlike the Lennard-Jones or Morse potentials, the ANC interactions incorporate parameters (called softnesses) that modulate the steepness of the potential in their repulsive and attractive parts independently. This feature allowed us to separate unambiguously the role of each region of the potential on setting the thermophysical properties. In particular, we found positive linear correlation between all critical coordinates and the attractive and repulsive softness, except for the critical density and the attractive softness which are negatively correlated. Moreover, we found that the physical properties related to phase coexistence (such as span of the liquid phase between the critical and triple points, variations in the P-T vaporization curve, interface width, and surface tension) are more sensitive to changes in the attractive softness than to the repulsive one. Understanding the different roles of attractive and repulsive forces on phase coexistence may contribute to developing more accurate models of liquids and their mixtures.

Separating the effects of repulsive and attractive forces on the phase diagram, interfacial, and critical properties of simple fluids.

PubMed

Fuentes-Herrera, M; Moreno-Razo, J A; Guzmán, O; López-Lemus, J; Ibarra-Tandi, B

2016-06-07

Molecular simulations in the canonical and isothermal-isobaric ensembles were performed to study the effect of varying the shape of the intermolecular potential on the phase diagram, critical, and interfacial properties of model fluids. The molecular interactions were modeled by the Approximate Non-Conformal (ANC) theory potentials. Unlike the Lennard-Jones or Morse potentials, the ANC interactions incorporate parameters (called softnesses) that modulate the steepness of the potential in their repulsive and attractive parts independently. This feature allowed us to separate unambiguously the role of each region of the potential on setting the thermophysical properties. In particular, we found positive linear correlation between all critical coordinates and the attractive and repulsive softness, except for the critical density and the attractive softness which are negatively correlated. Moreover, we found that the physical properties related to phase coexistence (such as span of the liquid phase between the critical and triple points, variations in the P-T vaporization curve, interface width, and surface tension) are more sensitive to changes in the attractive softness than to the repulsive one. Understanding the different roles of attractive and repulsive forces on phase coexistence may contribute to developing more accurate models of liquids and their mixtures.

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

NASA Astrophysics Data System (ADS)

Kim, Dong Hyup; Kim, So Youn

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

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

PubMed

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

2014-05-22

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

Electric field-driven, magnetically-stabilized ferro-emulsion phase contactor

DOEpatents

Scott, T.C.

1990-07-17

Methods and systems are disclosed for interfacial surface area contact between a dispersed phase liquid and a continuous phase liquid in counter-current flow for purposes such as solvent extraction. Initial droplets of a dispersed phase liquid material containing ferromagnetic particles functioning as a packing'' are introduced to a counter-current flow of the continuous phase. A high intensity pulsed electric field is applied so as to shatter the initial droplets into a ferromagnetic emulsion comprising many smaller daughter droplets having a greater combined total surface area than that of the initial droplets in contact with the continuous phase material. A magnetic field is applied to control the position of the ferromagnetic emulsion for enhanced coalescence of the daughter droplets into larger reformed droplets. 2 figs.

Electric field-driven, magnetically-stabilized ferro-emulsion phase contactor

DOEpatents

Scott, Timothy C.

1990-01-01

Methods and systems for interfacial surface area contact between a dispersed phase liquid and a continuous phase liquid in counter-current flow for purposes such as solvent extraction. Initial droplets of a dispersed phase liquid material containing ferromagnetic particles functioning as a "packing" are introduced to a counter-current flow of the continuous phase. A high intensity pulsed electric field is applied so as to shatter the initial droplets into a ferromagnetic emulsion comprising many smaller daughter droplets having a greater combined total surface area than that of the initial droplets in contact with the continuous phase material. A magnetic field is applied to control the position of the ferromagnetic emulsion for enhanced coalescence of the daughter droplets into larger reformed droplets.

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.

Characterization methods for liquid interfacial layers

NASA Astrophysics Data System (ADS)

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

2013-05-01

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

Interfacial 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.

Interfacial properties of acidified skim milk.

PubMed

Cases, E; Rampini, C; Cayot, Ph

2005-02-01

The purpose of this study is to investigate the tension properties and dilatational viscoelastic modulus of various skim milk proteins (whole milk, EDTA-treated milk, beta-casein, and beta-lactoglobulin) at an oil/water interface at 20 degrees C. Measurements are performed using a dynamic drop tensiometer for 15,000 s. The aqueous bulk phase is a skim milk simulated ultrafiltrate containing 11 x 10(-3) g L(-1) milk protein. At pH 6.7, beta-casein appears as the best to decrease the interfacial tension, whereas beta-lactoglobulin leads to the highest interfacial viscoelastic modulus value. Whole milk was almost as surface-active as individual beta-casein in terms of the final (steady-state) lowering of the interfacial tension, but the rate of tension lowering was smaller. EDTA treatment improved the rate of tension lowering of whole milk. The acidification of milk, from previous measurements, would lead to the enhancement of surface activity. At t=15,000 s, the order of effectiveness is pH 4.3 > pH 5.3 = pH 5.6 > pH 6.7 whole milk, suggesting that pH 4.3 whole milk is the best surface active. As compared to pH 6.7 whole milk, the use of pH 5.3 and pH 5.6 milk as surface active would result in the use of milk containing more free beta-casein born of pH-dissociated casein micelles.

Fluid displacement fronts in porous media: pore scale interfacial jumps, pressure bursts and acoustic emissions

NASA Astrophysics Data System (ADS)

Moebius, Franziska; Or, Dani

2014-05-01

The macroscopically smooth and regular motion of fluid fronts in porous media is composed of numerous rapid pore-scale interfacial jumps and pressure bursts that involve intense interfacial energy release in the form of acoustic emissions. The characteristics of these pore scale events affect residual phase entrapment and transport properties behind the front. We present experimental studies using acoustic emission technique (AE), rapid imaging, and liquid pressure measurements to characterize these processes during drainage and imbibition in simple porous media. Imbibition and drainage produce different AE signatures (AE amplitudes obey a power law). For rapid drainage, AE signals persist long after cessation of front motion reflecting fluid redistribution and interfacial relaxation. Imaging revealed that the velocity of interfacial jumps often exceeds front velocity by more than 50 fold and is highly inertial component (Re>1000). Pore invasion volumes reduced deduced from pressure fluctuations waiting times (for constant withdrawal rates) show remarkable agreement with geometrically-deduced pore volumes. Discrepancies between invaded volumes and geometrical pores increase with increasing capillary numbers due to constraints on evacuation opportunity times and simultaneous invasion events. A mechanistic model for interfacial motions in a pore-throat network was developed to investigate interfacial dynamics focusing on the role of inertia. Results suggest that while pore scale dynamics were sensitive to variations in pore geometry and boundary conditions, inertia exerted only a minor effect on phase entrapment. The study on pore scale invasion events paints a complex picture of rapid and inertial motions and provides new insights on mechanisms at displacement fronts that are essential for improved macroscopic description of multiphase flows in porous media.

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

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

Wardle, K.E.

2013-07-01

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

Resolving Discrepancies in the Measurements of the Interfacial Tension for the CO2 + H2O Mixture by Computer Simulation.

PubMed

Müller, Erich A; Mejía, Andrés

2014-04-03

Literature values regarding the pressure dependence of the interfacial tension of the system of carbon dioxide (CO2) + water (H2O) show an unexplained divergence and scatter at the transition between low-pressure gas-liquid equilibrium and the high-pressure liquid-liquid equilibrium. We employ the Statistical Associating Fluid Theory (SAFT) and canonical molecular dynamics simulations based on the corresponding coarse grained force field to map out the phase diagram of the mixture and the interfacial tension for this system. We showcase how at ambient temperatures a triple point (gas-liquid-liquid) is expected and detail the implications that the appearance of the third phase has on the interfacial tensions of the system.

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

PubMed Central

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

2014-01-01

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

Recent Advances in Colloidal and Interfacial Phenomena Involving Liquid Crystals

PubMed Central

Bai, Yiqun; Abbott, Nicholas L.

2011-01-01

This article describes recent advances in several areas of research involving the interfacial ordering of liquid crystals (LCs). The first advance revolves around the ordering of LCs at bio/chemically functionalized surfaces. Whereas the majority of past studies of surface-induced ordering of LCs have involved surfaces of solids that present a limited diversity of chemical functional groups (surfaces at which van der Waals forces dominate surface-induced ordering), recent studies have moved to investigate the ordering of LCs on chemically complex surfaces. For example, surfaces decorated with biomolecules (e.g. oligopeptides and proteins) and transition metal ions have been investigated, leading to an understanding of the roles that metal-ligand coordination interactions, electrical double-layers, acid-base interactions, and hydrogen bonding can have on the interfacial ordering of LCs. The opportunity to create chemically-responsive LCs capable of undergoing ordering transitions in the presence of targeted molecular events (e.g., ligand exchange around a metal center) has emerged from these fundamental studies. A second advance has focused on investigations of the ordering of LCs at interfaces with immiscible isotropic fluids, particularly water. In contrast to prior studies of surface-induced ordering of LCs on solid surfaces, LC- aqueous interfaces are deformable and molecules at these interfaces exhibit high levels of mobility and thus can reorganize in response to changes in interfacial environment. A range of fundamental investigations involving these LC-aqueous interfaces have revealed that (i) the spatial and temporal characteristics of assemblies formed from biomolecular interactions can be reported by surface-driven ordering transitions in the LCs, (ii) the interfacial phase behaviour of molecules and colloids can be coupled to (and manipulated via) the ordering (and nematic elasticity) of LCs, and (iii) confinement of LCs leads to unanticipated size

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.

Liquid Sulfur Impregnation of Microporous Carbon Accelerated by Nanoscale Interfacial Effects.

PubMed

Pascal, Tod A; Villaluenga, Irune; Wujcik, Kevin H; Devaux, Didier; Jiang, Xi; Wang, Dunyang Rita; Balsara, Nitash; Prendergast, David

2017-04-12

Impregnation of porous carbon matrices with liquid sulfur has been exploited to fabricate composite cathodes for lithium-sulfur batteries, aimed at confining soluble sulfur species near conducting carbon to prevent both loss of active material into the electrolyte and parasitic reactions at the lithium metal anode. Here, through extensive computer simulations, we uncover the strongly favorable interfacial free energy between liquid sulfur and graphitic surfaces that underlies this phenomenon. Previously unexplored curvature-dependent enhancements are shown to favor the filling of smaller pores first and effect a quasi-liquid sulfur phase in microporous domains (diameters <2 nm) that persists ∼30° below the expected freezing point. Evidence of interfacial sulfur on carbon is shown to be a 0.3 eV red shift in the simulated and measured interfacial X-ray absorption spectra. Our results elucidate the critical morphology and thermodynamic properties necessary for future cathode design and highlight the importance of molecular-scale details in defining emergent properties of functional nanoscale interfaces.

47 CFR 90.745 - Phase I licensee service areas.

Code of Federal Regulations, 2011 CFR

2011-10-01

... 47 Telecommunication 5 2011-10-01 2011-10-01 false Phase I licensee service areas. 90.745 Section... 220-222 MHz Band § 90.745 Phase I licensee service areas. (a) A Phase I licensee's service area shall... its license to relocate its initially authorized base station. The Phase I licensee's predicted 38 dBu...

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

NASA Technical Reports Server (NTRS)

Atkins, A. G.

1974-01-01

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

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

Fluid-fluid interfacial mobility from random walks

NASA Astrophysics Data System (ADS)

Barclay, Paul L.; Lukes, Jennifer R.

2017-12-01

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

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

NASA Astrophysics Data System (ADS)

Cui, Yi; Chen, Zengtao

2017-02-01

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

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

PubMed

Kurzeja, Patrick

2016-05-01

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

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

PubMed Central

2016-01-01

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

Dentin-cement Interfacial Interaction

PubMed Central

Atmeh, A.R.; Chong, E.Z.; Richard, G.; Festy, F.; Watson, T.F.

2012-01-01

The interfacial properties of a new calcium-silicate-based coronal restorative material (Biodentine™) and a glass-ionomer cement (GIC) with dentin have been studied by confocal laser scanning microscopy (CLSM), scanning electron microscopy (SEM), micro-Raman spectroscopy, and two-photon auto-fluorescence and second-harmonic-generation (SHG) imaging. Results indicate the formation of tag-like structures alongside an interfacial layer called the “mineral infiltration zone”, where the alkaline caustic effect of the calcium silicate cement’s hydration products degrades the collagenous component of the interfacial dentin. This degradation leads to the formation of a porous structure which facilitates the permeation of high concentrations of Ca2+, OH-, and CO32- ions, leading to increased mineralization in this region. Comparison of the dentin-restorative interfaces shows that there is a dentin-mineral infiltration with the Biodentine, whereas polyacrylic and tartaric acids and their salts characterize the penetration of the GIC. A new type of interfacial interaction, “the mineral infiltration zone”, is suggested for these calcium-silicate-based cements. PMID:22436906

Fabrication of metal nanoelectrodes by interfacial reactions.

PubMed

Zhu, Xinyu; Qiao, Yonghui; Zhang, Xin; Zhang, Sensen; Yin, Xiaohong; Gu, Jing; Chen, Ye; Zhu, Zhiwei; Li, Meixian; Shao, Yuanhua

2014-07-15

Despite great improvements in the past decades, the controllable fabrication of metal nanoelectrodes still remains very challenging. In this work, a simple and general way to fabricate metal nanoelectrodes (Ag, Au, and Pt) is developed. On the basis of interfacial reactions at nano-liquid/liquid interfaces supported at nanopipettes, the nanoparticles can be formed in situ and have been used to block the orifices of pipettes to make nanoelectrodes. The effect of the driving force for interfacial reaction at the liquid/liquid interface, the ratio of redox species in organic and aqueous phases, and the surface charge of the inner wall of a pipette have been studied. The fabricated nanoelectrodes have been characterized by scanning electron microscopy (SEM) and electrochemical techniques. A silver electrode with about 10 nm in radius has been employed as the scanning electrochemical microscopy (SECM) probe to explore the thickness of a water/nitrobenzene (W/NB) interface, and this value is equal to 0.8 ± 0.1 nm (n = 5). This method of fabrication of nanoelectrodes can be extended to other metal or semiconductor electrodes.

Fischer Indole Synthesis in the Gas Phase, the Solution Phase, and at the Electrospray Droplet Interface.

PubMed

Bain, Ryan M; Ayrton, Stephen T; Cooks, R Graham

2017-07-01

Previous reports have shown that reactions occurring in the microdroplets formed during electrospray ionization can, under the right conditions, exhibit significantly greater rates than the corresponding bulk solution-phase reactions. The observed acceleration under electrospray ionization could result from a solution-phase, a gas-phase, or an interfacial reaction. This study shows that a gas-phase ion/molecule (or ion/ion) reaction is not responsible for the observed rate enhancement in the particular case of the Fischer indole synthesis. The results show that the accelerated reaction proceeds in the microdroplets, and evidence is provided that an interfacial process is involved. Graphical Abstract .

Gradient Augmented Level Set Method for Two Phase Flow Simulations with Phase Change

NASA Astrophysics Data System (ADS)

Anumolu, C. R. Lakshman; Trujillo, Mario F.

2016-11-01

A sharp interface capturing approach is presented for two-phase flow simulations with phase change. The Gradient Augmented Levelset method is coupled with the two-phase momentum and energy equations to advect the liquid-gas interface and predict heat transfer with phase change. The Ghost Fluid Method (GFM) is adopted for velocity to discretize the advection and diffusion terms in the interfacial region. Furthermore, the GFM is employed to treat the discontinuity in the stress tensor, velocity, and temperature gradient yielding an accurate treatment in handling jump conditions. Thermal convection and diffusion terms are approximated by explicitly identifying the interface location, resulting in a sharp treatment for the energy solution. This sharp treatment is extended to estimate the interfacial mass transfer rate. At the computational cell, a d-cubic Hermite interpolating polynomial is employed to describe the interface location, which is locally fourth-order accurate. This extent of subgrid level description provides an accurate methodology for treating various interfacial processes with a high degree of sharpness. The ability to predict the interface and temperature evolutions accurately is illustrated by comparing numerical results with existing 1D to 3D analytical solutions.

Liquid Sulfur Impregnation of Microporous Carbon Accelerated by Nanoscale Interfacial Effects

DOE PAGES

Pascal, Tod A.; Villaluenga, Irune; Wujcik, Kevin H.; ...

2017-03-14

Impregnation of porous carbon matrices with liquid sulfur has been exploited to fabricate composite cathodes for lithium-sulfur batteries, aimed at confining soluble sulfur species near conducting carbon to prevent both loss of active material into the electrolyte and parasitic reactions at the lithium metal anode. Here, through extensive computer simulations, we uncover the strongly favorable interfacial free energy between liquid sulfur and graphitic surfaces that underlies this phenomenon. Previously unexplored curvature-dependent enhancements are shown to favor the filling of smaller pores first and effect a quasi-liquid sulfur phase in microporous domains (diameters <2 nm) that persists ~30° below the expectedmore » freezing point. Evidence of interfacial sulfur on carbon is shown to be a 0.3 eV red shift in the simulated and measured interfacial X-ray absorption spectra. Our results elucidate the critical morphology and thermodynamic properties necessary for future cathode design and highlight the importance of molecular-scale details in defining emergent properties of functional nanoscale interfaces.« less

Novel strip-cast Mg/Al clad sheets with excellent tensile and interfacial bonding properties

PubMed Central

Kim, Jung-Su; Lee, Dong Ho; Jung, Seung-Pill; Lee, Kwang Seok; Kim, Ki Jong; Kim, Hyoung Seop; Lee, Byeong-Joo; Chang, Young Won; Yuh, Junhan; Lee, Sunghak

2016-01-01

In order to broaden industrial applications of Mg alloys, as lightest-weight metal alloys in practical uses, many efforts have been dedicated to manufacture various clad sheets which can complement inherent shortcomings of Mg alloys. Here, we present a new fabrication method of Mg/Al clad sheets by bonding thin Al alloy sheet on to Mg alloy melt during strip casting. In the as-strip-cast Mg/Al clad sheet, homogeneously distributed equi-axed dendrites existed in the Mg alloy side, and two types of thin reaction layers, i.e., γ (Mg17Al12) and β (Mg2Al3) phases, were formed along the Mg/Al interface. After post-treatments (homogenization, warm rolling, and annealing), the interfacial layers were deformed in a sawtooth shape by forming deformation bands in the Mg alloy and interfacial layers, which favorably led to dramatic improvement in tensile and interfacial bonding properties. This work presents new applications to multi-functional lightweight alloy sheets requiring excellent formability, surface quality, and corrosion resistance as well as tensile and interfacial bonding properties. PMID:27245687

Novel strip-cast Mg/Al clad sheets with excellent tensile and interfacial bonding properties.

PubMed

Kim, Jung-Su; Lee, Dong Ho; Jung, Seung-Pill; Lee, Kwang Seok; Kim, Ki Jong; Kim, Hyoung Seop; Lee, Byeong-Joo; Chang, Young Won; Yuh, Junhan; Lee, Sunghak

2016-06-01

In order to broaden industrial applications of Mg alloys, as lightest-weight metal alloys in practical uses, many efforts have been dedicated to manufacture various clad sheets which can complement inherent shortcomings of Mg alloys. Here, we present a new fabrication method of Mg/Al clad sheets by bonding thin Al alloy sheet on to Mg alloy melt during strip casting. In the as-strip-cast Mg/Al clad sheet, homogeneously distributed equi-axed dendrites existed in the Mg alloy side, and two types of thin reaction layers, i.e., γ (Mg17Al12) and β (Mg2Al3) phases, were formed along the Mg/Al interface. After post-treatments (homogenization, warm rolling, and annealing), the interfacial layers were deformed in a sawtooth shape by forming deformation bands in the Mg alloy and interfacial layers, which favorably led to dramatic improvement in tensile and interfacial bonding properties. This work presents new applications to multi-functional lightweight alloy sheets requiring excellent formability, surface quality, and corrosion resistance as well as tensile and interfacial bonding properties.

Improving Multi-Functional Properties in Polymer Based Nano Composites by Interfacial

NASA Astrophysics Data System (ADS)

Tajaddod, Navid

Polymer nanocomposites (PNCs) have become an area of increasing interest for study in the field of polymer science and technology since the rise of nanotechnology research. Despite the significant amount of progress being made towards producing high quality PNC materials, improvement in the mechanical, electrical, thermal and other functional properties still remain a challenge. To date, these properties are only a fraction of the expected theoretical values predicted for these materials. Development of interfacial regions between the filler and matrix within the composite has been found to be an important focus in terms of processing. Proper interfacial control and development may ensure excellent interaction and property transfer between the filler and polymer matrix in addition to improvement of multi-functional properties of PNCs. The property-structure importance for the existence of the interfacial and interphase region within PNCs is discussed in this thesis work. Two specific PNC systems are selected for study as part of this dissertation in order to understand the effect of interfacial region development on influencing multi-functional property trends. Polyethylene (PE)/boron nitride (BN) and polyacrylonitrile (PAN)/carbon nanotube (CNT) composites were selected to investigate their mechanical performance and thermal and electrical conductivity properties, respectively. For these systems it was found that the interfacial region structure is directly related to the enhancement of the subsequent multi-functional properties.

pH-induced inversion of water-in-oil emulsions to oil-in-water high internal phase emulsions (HIPEs) using core cross-linked star (CCS) polymer as interfacial stabilizer.

PubMed

Chen, Qijing; Deng, Xiaoyong; An, Zesheng

2014-06-01

A pH-responsive core cross-linked star (CCS) polymer containing poly(N,N-dimethylaminoethyl methacrylate) (PDMAEMA) arms was used as an interfacial stabilizer for emulsions containing toluene (80 v%) and water (20 v%). In the pH range of 12.1-9.3, ordinary water-in-oil emulsions were formed. Intermediate multiple emulsions of oil-in-water-in-oil and water-in-oil-in-water were formed at pH 8.6 and 7.5, respectively. Further lowering the pH resulted in the formation of gelled high internal phase emulsions of oil-in-water type in the pH range of 6.4-0.6. The emulsion behavior was correlated with interfacial tension, conductivity and configuration of the CCS polymer at different pH. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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.

Interfacial welding of dynamic covalent network polymers

NASA Astrophysics Data System (ADS)

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

2016-09-01

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

Interfacial behavior of Myristic acid in mixtures with DMPC and Cholesterol

NASA Astrophysics Data System (ADS)

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

2017-06-01

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

Interfacial nonequilibrium and Bénard-Marangoni instability of a liquid-vapor system

NASA Astrophysics Data System (ADS)

Margerit, J.; Colinet, P.; Lebon, G.; Iorio, C. S.; Legros, J. C.

2003-10-01

We study Bénard-Marangoni instability in a system formed by a horizontal liquid layer and its overlying vapor. The liquid is lying on a hot rigid plate and the vapor is bounded by a cold parallel plate. A pump maintains a reduced pressure in the vapor layer and evacuates the vapor. This investigation is undertaken within the classical quasisteady approximation for both the vapor and the liquid phases. The two layers are separated by a deformable interface. Temporarily frozen temperature and velocity distributions are employed at each instant for the stability analysis, limited to infinitesimal disturbances (linear regime). We use irreversible thermodynamics to model the phase change under interfacial nonequilibrium. Within this description, the interface appears as a barrier for transport of both heat and mass. Hence, in contrast with previous studies, we consider the possibility of a temperature jump across the interface, as recently measured experimentally. The stability analysis shows that the interfacial resistances to heat and mass transfer have a destabilizing influence compared to an interface that is in thermodynamic equilibrium. The role of the fluctuations in the vapor phase on the onset of instability is discussed. The conditions to reduce the system to a one phase model are also established. Finally, the influence of the evaporation parameters and of the presence of an inert gas on the marginal stability curves is discussed.

Rheology of interfacial protein-polysaccharide composites

NASA Astrophysics Data System (ADS)

Fischer, P.

2013-05-01

The morphology and mechanical properties of protein adsorption layers can significantly be altered by the presence of surfactants, lipids, particles, other proteins, and polysaccharides. In food emulsions, polysaccharides are primarily considered as bulk thickener but can under appropriate environmental conditions stabilize or destabilize the protein adsorption layer and, thus, the entire emulsion system. Despite their ubiquitous usage as stabilization agent, relatively few investigations focus on the interfacial rheology of composite protein/polysaccharide adsorption layers. The manuscript provides a brief review on both main stabilization mechanisms, thermodynamic phase separation and electrostatic interaction and discusses the rheological response in light of the environmental conditions such as ionic strength and pH.

Interfacial layering and capillary roughness in immiscible liquids.

PubMed

Geysermans, P; Pontikis, V

2010-08-21

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

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.

Estimation of representative elementary volume for DNAPL saturation and DNAPL-water interfacial areas in 2D heterogeneous porous media

NASA Astrophysics Data System (ADS)

Wu, Ming; Cheng, Zhou; Wu, Jianfeng; Wu, Jichun

2017-06-01

Representative elementary volume (REV) is important to determine properties of porous media and those involved in migration of contaminants especially dense nonaqueous phase liquids (DNAPLs) in subsurface environment. In this study, an experiment of long-term migration of the commonly used DNAPL, perchloroethylene (PCE), is performed in a two dimensional (2D) sandbox where several system variables including porosity, PCE saturation (Soil) and PCE-water interfacial area (AOW) are accurately quantified by light transmission techniques over the entire PCE migration process. Moreover, the REVs for these system variables are estimated by a criterion of relative gradient error (εgi) and results indicate that the frequency of minimum porosity-REV size closely follows a Gaussian distribution in the range of 2.0 mm and 8.0 mm. As experiment proceeds in PCE infiltration process, the frequency and cumulative frequency of both minimum Soil-REV and minimum AOW-REV sizes change their shapes from the irregular and random to the regular and smooth. When experiment comes into redistribution process, the cumulative frequency of minimum Soil-REV size reveals a linear positive correlation, while frequency of minimum AOW-REV size tends to a Gaussian distribution in the range of 2.0 mm-7.0 mm and appears a peak value in 13.0 mm-14.0 mm. Undoubtedly, this study will facilitate the quantification of REVs for materials and fluid properties in a rapid, handy and economical manner, which helps enhance our understanding of porous media and DNAPL properties at micro scale, as well as the accuracy of DNAPL contamination modeling at field-scale.

The Constrained Vapor Bubble Experiment - Interfacial Flow Region

NASA Technical Reports Server (NTRS)

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

2015-01-01

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

First-Order Interfacial Transformations with a Critical Point: Breaking the Symmetry at a Symmetric Tilt Grain Boundary

NASA Astrophysics Data System (ADS)

Yang, Shengfeng; Zhou, Naixie; Zheng, Hui; Ong, Shyue Ping; Luo, Jian

2018-02-01

First-order interfacial phaselike transformations that break the mirror symmetry of the symmetric ∑5 (210 ) tilt grain boundary (GB) are discovered by combining a modified genetic algorithm with hybrid Monte Carlo and molecular dynamics simulations. Density functional theory calculations confirm this prediction. This first-order coupled structural and adsorption transformation, which produces two variants of asymmetric bilayers, vanishes at an interfacial critical point. A GB complexion (phase) diagram is constructed via semigrand canonical ensemble atomistic simulations for the first time.

Interfacially polymerized layers for oxygen enrichment: a method to overcome Robeson's upper-bound limit.

PubMed

Tsai, Ching-Wei; Tsai, Chieh; Ruaan, Ruoh-Chyu; Hu, Chien-Chieh; Lee, Kueir-Rarn

2013-06-26

Interfacial polymerization of four aqueous phase monomers, diethylenetriamine (DETA), m-phenylenediamine (mPD), melamine (Mela), and piperazine (PIP), and two organic phase monomers, trimethyl chloride (TMC) and cyanuric chloride (CC), produce a thin-film composite membrane of polymerized polyamide layer capable of O2/N2 separation. To achieve maximum efficiency in gas permeance and O2/N2 permselectivity, the concentrations of monomers, time of interfacial polymerization, number of reactive groups in monomers, and the structure of monomers need to be optimized. By controlling the aqueous/organic monomer ratio between 1.9 and 2.7, we were able to obtain a uniformly interfacial polymerized layer. To achieve a highly cross-linked layer, three reactive groups in both the aqueous and organic phase monomers are required; however, if the monomers were arranged in a planar structure, the likelihood of structural defects also increased. On the contrary, linear polymers are less likely to result in structural defects, and can also produce polymer layers with moderate O2/N2 selectivity. To minimize structural defects while maximizing O2/N2 selectivity, the planar monomer, TMC, containing 3 reactive groups, was reacted with the semirigid monomer, PIP, containing 2 reactive groups to produce a membrane with an adequate gas permeance of 7.72 × 10(-6) cm(3) (STP) s(-1) cm(-2) cm Hg(-1) and a high O2/N2 selectivity of 10.43, allowing us to exceed the upper-bound limit of conventional thin-film composite membranes.

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.

Isostructural solid-solid phase transition in monolayers of soft core-shell particles at fluid interfaces: structure and mechanics.

PubMed

Rey, Marcel; Fernández-Rodríguez, Miguel Ángel; Steinacher, Mathias; Scheidegger, Laura; Geisel, Karen; Richtering, Walter; Squires, Todd M; Isa, Lucio

2016-04-21

We have studied the complete two-dimensional phase diagram of a core-shell microgel-laden fluid interface by synchronizing its compression with the deposition of the interfacial monolayer. Applying a new protocol, different positions on the substrate correspond to different values of the monolayer surface pressure and specific area. Analyzing the microstructure of the deposited monolayers, we discovered an isostructural solid-solid phase transition between two crystalline phases with the same hexagonal symmetry, but with two different lattice constants. The two phases corresponded to shell-shell and core-core inter-particle contacts, respectively; with increasing surface pressure the former mechanically failed enabling the particle cores to come into contact. In the phase-transition region, clusters of particles in core-core contacts nucleate, melting the surrounding shell-shell crystal, until the whole monolayer moves into the second phase. We furthermore measured the interfacial rheology of the monolayers as a function of the surface pressure using an interfacial microdisk rheometer. The interfaces always showed a strong elastic response, with a dip in the shear elastic modulus in correspondence with the melting of the shell-shell phase, followed by a steep increase upon the formation of a percolating network of the core-core contacts. These results demonstrate that the core-shell nature of the particles leads to a rich mechanical and structural behavior that can be externally tuned by compressing the interface, indicating new routes for applications, e.g. in surface patterning or emulsion stabilization.

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

NASA Astrophysics Data System (ADS)

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

2018-05-01

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

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.

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.

Monitoring the interfacial electric field in pure and doped SrTiO3 surfaces by means of phase-resolved optical second harmonic generation

NASA Astrophysics Data System (ADS)

Rubano, Andrea; Mou, Sen; Paparo, Domenico

2018-05-01

Oxides and new functional materials such as oxide-based hetero-structures are very good candidates to achieve the goal of the next generation electronics. One of the main features that rules the electronic behavior of these compounds is the interfacial electric field which confines the charge carriers to a quasi-two-dimensional space region. The sign of the confined charge clearly depends on the electric field direction, which is however a very elusive quantity, as most techniques can only detect its absolute value. Even more valuable would be to access the sign of the interfacial electric field directly during the sample growth, being thus able to optimize the growth conditions directly looking at the feature of interest. For this aim, solid and reliable sensors are needed for monitoring the thin films while grown. Recently optical second harmonic generation has been proposed by us as a tool for non-invasive, non-destructive, real-time, in-situ imaging of oxide epitaxial film growth. The spatial resolution of this technique has been exploited to obtain real-time images of the sample under investigation. Here we propose to exploit another very important physical property of the second harmonic wave: its phase, which is directly coupled with the electric field direction, as shown by our measurements.

Dynamic interfacial properties of human tear-lipid films and their interactions with model-tear proteins in vitro.

PubMed

Svitova, Tatyana F; Lin, Meng C

2016-07-01

This review summarizes the current state of knowledge regarding interfacial properties of very complex biological colloids, specifically, human meibum and tear lipids, and their interactions with proteins similar to the proteins found in aqueous part of human tears. Tear lipids spread as thin films over the surface of tear-film aqueous and play crucial roles in tear-film stability and overall ocular-surface health. The vast majority of papers published to date report interfacial properties of meibum-lipid monolayers spread on various aqueous sub-phases, often containing model proteins, in Langmuir trough. However, it is well established that natural human ocular tear lipids exist as multilayered films with a thickness between 30 and 100nm, that is very much disparate from 1 to 2nm thick meibum monolayers. We employed sessile-bubble tensiometry to study the dynamic interfacial and rheological properties of reconstituted multilayered human tear-lipid films. Small amounts (0.5-1μg) of human tear lipids were deposited on an air-bubble surface to produce tear-lipid films in thickness range 30-100nm corresponding to ocular lipid films. Thus, we were able to overcome major Langmuir-trough method limitations because ocular tear lipids can be safely harvested only in minute, sub-milligram quantities, insufficient for Langmuir through studies. Sessile-bubble method is demonstrated to be a versatile tool for assessing conventional synthetic surfactants adsorption/desorption dynamics at an air-aqueous solution interface. (Svitova T., Weatherbee M., Radke C.J. Dynamics of surfactant sorption at the air/water interface: continuous-flow tensiometry. J. Colloid Interf. Sci. 2003;261:1170-179). The augmented flow-sessile-bubble setup, with step-strain relaxation module for dynamic interfacial rheological properties and high-precision syringe pump to generate larger and slow interfacial area expansions-contractions, was developed and employed in our studies. We established that

Interfacial interaction between the epoxidized natural rubber and silica in natural rubber/silica composites

NASA Astrophysics Data System (ADS)

Xu, Tiwen; Jia, Zhixin; Luo, Yuanfang; Jia, Demin; Peng, Zheng

2015-02-01

The epoxidized natural rubber (ENR) as an interfacial modifier was used to improve the mechanical and dynamical mechanical properties of NR/silica composites. In order to reveal the interaction mechanism between ENR and silica, the ENR/Silica model compound was prepared by using an open mill and the interfacial interaction of ENR with silica was investigated by Fourier transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM), X-ray diffraction (XRD) and stress-strain testing. The results indicated that the ring-opening reaction occurs between the epoxy groups of ENR chains and Si-OH groups on the silica surfaces and the covalent bonds are formed between two phases, which can improve the dispersion of silica in the rubber matrix and enhance the interfacial combination between rubber and silica. The ring-opening reaction occurs not only in vulcanization process but also in mixing process, meanwhile, the latter seems to be more important due to the simultaneous effects of mechanical force and temperature.

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.

Toughening mechanisms in interfacially modified HDPE/thermoplastic starch blends.

PubMed

Taguet, Aurélie; Bureau, Martin N; Huneault, Michel A; Favis, Basil D

2014-12-19

The mechanical behavior of polymer blends containing 80 wt% of HDPE and 20 wt% of TPS and compatibilized with HDPE-g-MA grafted copolymer was investigated. Unmodified HDPE/TPS blends exhibit high fracture resistance, however, the interfacial modification of those blends by addition of HDPE-g-MA leads to a dramatic drop in fracture resistance. The compatibilization of HDPE/TPS blends increases the surface area of TPS particles by decreasing their size. It was postulated that the addition of HDPE-g-MA induces a reaction between maleic anhydride and hydroxyl groups of the glycerol leading to a decrease of the glycerol content in the TPS phase. This phenomenon increases the stiffness of the modified TPS particles and stiffer TPS particles leading to an important reduction in toughness and plastic deformation, as measured by the EWF method. It is shown that the main toughening mechanism in HDPE/TPS blends is shear-yielding. This article demonstrates that stiff, low diameter TPS particles reduce shear band formation and consequently decrease the resistance to crack propagation. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

NASA Technical Reports Server (NTRS)

Lieneweg, Udo; Hannaman, David J.

1987-01-01

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

Supertoughened Biobased Poly(lactic acid)-Epoxidized Natural Rubber Thermoplastic Vulcanizates: Fabrication, Co-continuous Phase Structure, Interfacial in Situ Compatibilization, and Toughening Mechanism.

PubMed

Wang, Youhong; Chen, Kunling; Xu, Chuanhui; Chen, Yukun

2015-09-10

In the presence of dicumyl peroxide (DCP), biobased thermoplastic vulcanizates (TPVs) composed of poly(lactic acid) (PLA) and epoxidized natural rubber (ENR) were prepared through dynamic vulcanization. Interfacial in situ compatibilization between PLA and ENR phases was confirmed by Fourier transform infrared spectroscopy (FT-IR). A novel "sea-sea" co-continuous phase in the PLA/ENR TPVs was observed through scanning electron microscopy (SEM) and differed from the typical "sea-island" morphology that cross-linked rubber particles dispersed in plastic matrix. A sharp, brittle-ductile transition occurred with 40 wt % of ENR, showing a significantly improved impact strength of 47 kJ/m(2), nearly 15 times that of the neat PLA and 2.6 times that of the simple blend with the same PLA/ENR ratio. Gel permeation chromatography (GPC) and dynamic mechanical analysis (DMA) results suggested that a certain amount of DCP was consumed in the PLA phase, causing a slight cross-linking or branching of PLA molecules. the effects of various DCP contents on the impact property were investigated. The toughening mechanism under impact testing was researched, and the influence factors for toughening were discussed.

Enhancing the microwave absorption properties of amorphous CoO nanosheet-coated Co (hexagonal and cubic phases) through interfacial polarizations.

PubMed

Deng, Jiushuai; Li, Shimei; Zhou, Yuanyuan; Liang, Luyang; Zhao, Biao; Zhang, Xi; Zhang, Rui

2018-01-01

Core-shell flower-like composites were successfully prepared by a simple polyol method. These composites were formed by coating dual-phased (face-centered cubic [fcc] and hexagonal close-packed [hcp]) Co with amorphous CoO nanosheets. The microwave absorption properties of the flower-like Co@CoO paraffin composites with various Co@CoO amounts were then investigated. Results showed that the paraffin-based composite containing 70wt% flower-like Co@CoO displayed excellent microwave absorption properties (R E =24.74dB·GHz/mm). The minimum reflection loss of -30.4dB was obtained at 16.1GHz with a small thickness of 1.5mm, and 1.5mm bandwidth reached 4.6GHz (13.4-18GHz) below -10dB (90% microwave absorption). The excellent microwave absorption properties of flower-like Co@CoO are attributed to the synergetic effect between magnetic loss and dielectric loss, and the magnetic loss makes a main contribution to absorption. The core-shell flower-like structures with dual Co phases also contributed to microwave absorption. The amorphous CoO nanosheets were able to generate multiple reflections and exhibit scattering. In addition, the novel absorption mechanism that enhanced interfacial polarization was proposed. This enhancement resulted from the presence of interfaces between the hcp and fcc phases and between the core-shell Co@CoO composites. Copyright © 2017 Elsevier Inc. All rights reserved.

Interfacial engineering of microstructured materials

NASA Astrophysics Data System (ADS)

Poda, Aimee

The tribological behavior of octadecyltrichlorosilane self assembled monolayers (OTS-SAMs) has been successfully exploited to reduce energy losses and to produce adequate adhesion barrier properties on many MEMS surfaces. Unfortunately, performance discrepancies are reported in the literature between films produced on smooth surfaces as compared to typical MEMS surfaces maintaining topographical roughness. Rational explanations in terms of reproducibility issues, production considerations, and the scale of measurement technique have been introduced to account for some of the variation. The tribological phenomena at the micro-scale are complicated by the fact that rather than inertial effects, the forces associated with the surface become dominant factors influencing the mechanical behavior of contacting components. In MEMS, real mechanical contacts typically consist of a few nanometer scale asperities. Furthermore, various surface topographies exist for MEMS device fabrication and their corresponding asperity profiles can vary drastically based on the production process. This dissertation presents research focusing on the influence of topographical asperities on OTS film properties of relevance for efficient tribological improvement. A fundamental approach has been taken to carefully examine the factors that contribute to high quality film formation, specifically formation temperature and the role of interfacial water layer associated with the sample surface. As evidenced on smooth surfaces, the characteristics for successful tribological performance of OTS films are strongly dependent on the lateral packing density and molecular orientation of the monolayer. Limited information is available on how monolayers associate on topographical asperities and whether these topographical asperities influence the interfacial reactivity of MEMS surfaces. A silica film produced from a low temperature, vapor-phase hydrolysis of tetrachlorosilane with a tunable topography is

Liquid-vapor equilibrium and interfacial properties of square wells in two dimensions

NASA Astrophysics Data System (ADS)

Armas-Pérez, Julio C.; Quintana-H, Jacqueline; Chapela, Gustavo A.

2013-01-01

Liquid-vapor coexistence and interfacial properties of square wells in two dimensions are calculated. Orthobaric densities, vapor pressures, surface tensions, and interfacial thicknesses are reported. Results are presented for a series of potential widths λ* = 1.4, 1.5, 2, 2.5, 3, 3.5, 4, 4.5, and 5, where λ* is given in units of the hard core diameter σ. Critical and triple points are explored. No critical point was found for λ* < 1.4. Corresponding states principle analysis is performed for the whole series. For λ* = 1.4 and 1.5 evidence is presented that at an intermediate temperature between the critical and the triple point temperatures the liquid branch becomes an amorphous solid. This point is recognized in Armas-Pérez et al. [unpublished] as a hexatic phase transition. It is located at reduced temperatures T* = 0.47 and 0.35 for λ* = 1.4 and 1.5, respectively. Properties such as the surface tension, vapor pressure, and interfacial thickness do not present any discontinuity at these points. This amorphous solid branch does not follow the corresponding state principle, which is only applied to liquids and gases.

Interfacial dilatational deformation accelerates particle formation in monoclonal antibody solutions.

PubMed

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

2016-04-14

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

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

NASA Technical Reports Server (NTRS)

Smialek, James L.

2002-01-01

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

Smoothed Particle Hydrodynamics: A consistent model for interfacial multiphase fluid flow simulations

NASA Astrophysics Data System (ADS)

Krimi, Abdelkader; Rezoug, Mehdi; Khelladi, Sofiane; Nogueira, Xesús; Deligant, Michael; Ramírez, Luis

2018-04-01

In this work, a consistent Smoothed Particle Hydrodynamics (SPH) model to deal with interfacial multiphase fluid flows simulation is proposed. A modification to the Continuum Stress Surface formulation (CSS) [1] to enhance the stability near the fluid interface is developed in the framework of the SPH method. A non-conservative first-order consistency operator is used to compute the divergence of stress surface tensor. This formulation benefits of all the advantages of the one proposed by Adami et al. [2] and, in addition, it can be applied to more than two phases fluid flow simulations. Moreover, the generalized wall boundary conditions [3] are modified in order to be well adapted to multiphase fluid flows with different density and viscosity. In order to allow the application of this technique to wall-bounded multiphase flows, a modification of generalized wall boundary conditions is presented here for using the SPH method. In this work we also present a particle redistribution strategy as an extension of the damping technique presented in [3] to smooth the initial transient phase of gravitational multiphase fluid flow simulations. Several computational tests are investigated to show the accuracy, convergence and applicability of the proposed SPH interfacial multiphase model.

Measurement of interfacial tension by use of pendant drop video techniques

NASA Astrophysics Data System (ADS)

Herd, Melvin D.; Thomas, Charles P.; Bala, Gregory A.; Lassahn, Gordon D.

1993-09-01

This report describes an instrument to measure the interfacial tension (IFT) of aqueous surfactant solutions and crude oil. The method involves injection of a drop of fluid (such as crude oil) into a second immiscible phase to determine the IFT between the two phases. The instrument is composed of an AT-class computer, optical cell, illumination, video camera and lens, video frame digitizer board, monitor, and software. The camera displays an image of the pendant drop on the monitor, which is then processed by the frame digitizer board and non-proprietary software to determine the IFT. Several binary and ternary phase systems were taken from the literature and used to measure the precision and accuracy of the instrument in determining IFT's. A copy of the software program is included in the report. A copy of the program on diskette can be obtained from the Energy Science and Technology Software Center, P.O. Box 1020, Oak Ridge, TN 37831-1020. The accuracy and precision of the technique and apparatus presented is very good for measurement of IFT's in the range from 72 to 10(exp -2) mN/m, which is adequate for many EOR applications. With modifications to the equipment and the numerical techniques, measurements of ultralow IFT's (less than 10(exp -3) mN/m) should be possible as well as measurements at reservoir temperature and pressure conditions. The instrument has been used at the Idaho National Engineering Laboratory to support the research program on microbial enhanced oil recovery. Measurements of IFT's for several bacterial supernatants and unfractionated acid precipitates of microbial cultures containing biosurfactants against medium to heavy crude oils are reported. These experiments demonstrate that the use of automated video imaging of pendant drops is a simple and fast method to reliably determine interfacial tension between two immiscible liquid phases, or between a gas and a liquid phase.

One-dimensional drift-flux model and constitutive equations for relative motion between phases in various two-phase flow regimes

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

Ishii, M.

1977-10-01

In view of the practical importance of the drift-flux model for two-phase flow analysis in general and in the analysis of nuclear-reactor transients and accidents in particular, the kinematic constitutive equation for the drift velocity has been studied for various two-phase flow regimes. The constitutive equation that specifies the relative motion between phases in the drift-flux model has been derived by taking into account the interfacial geometry, the body-force field, shear stresses, and the interfacial momentum transfer, since these macroscopic effects govern the relative velocity between phases. A comparison of the model with various experimental data over various flow regimesmore » and a wide range of flow parameters shows a satisfactory agreement.« less

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

PubMed

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

2018-06-08

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

Interfacial Surgery Determination of Succinonitrile and Succinonitrile-Acetone Alloy Using Surface Light Scattering Spectrometer

NASA Technical Reports Server (NTRS)

Tin, Padetha; Frate, David T.; deGroh, Henry C., III

2001-01-01

The objectives of this ground based research is to measure the liquid/vapor interfacial surface energies of succinonitrile (SCN) and alloys of succinonitrile and acetone using Surface Light Scattering Spectrometer. Liquid/vapor interfacial energy measurements will be made near and above the melting point and are the primary goal of this proposal. A measurement of viscosity also results from the Surface Light Scattering technique employed. Interfacial free energies between the phases enters into many analysis of phase transformation and flow, including nucleation, dendritic growth, interface stability, Ostwald ripening, and Marangoni flow. Succirionitrile (SCN) is useful as a model for the study of metal solidification, although it is an organic material, it has a BCC crystal structure and solidifies dendriticly like a metal. It is also transparent and has a low melting point (58.08 C). Succinonitrile has been and is being used extensively in NASAs Microgravity Materials Science and Fluid Physics programs and as well as in several ground-based and microgravity studies including the Isothermal Dendritic Growth Experiment (IDGE) due to Glicksman and coworkers and subsequently in several theoretical and numerical studies of dendritic growth. Previous measurements of succinonitrile (SCN) and alloys of succinonitrile and acetone surface tensions are extremely limited. We believe the data sought through this proposal have significant basic physical property data value and thus the work proposed will provide needed data in support of NASAs Microgravity program research.

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

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

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

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

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

DOE PAGES

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

2017-02-06

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

Interfacial Water-Transport Effects in Proton-Exchange Membranes

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

Kienitz, Brian; Yamada, Haruhiko; Nonoyama, Nobuaki

2009-11-19

It is well known that the proton-exchange membrane is perhaps the most critical component of a polymer-electrolyte fuel cell. Typical membranes, such as Nafion(R), require hydration to conduct efficiently and are instrumental in cell water management. Recently, evidence has been shown that these membranes might have different interfacial morphology and transport properties than in the bulk. In this paper, experimental data combined with theoretical simulations will be presented that explore the existence and impact of interfacial resistance on water transport for Nafion(R) 21x membranes. A mass-transfer coefficient for the interfacial resistance is calculated from experimental data using different permeation cells.more » This coefficient is shown to depend exponentially on relative humidity or water activity. The interfacial resistance does not seem to exist for liquid/membrane or membrane/membrane interfaces. The effect of the interfacial resistance is to flatten the water-content profiles within the membrane during operation. Under typical operating conditions, the resistance is on par with the water-transport resistance of the bulk membrane. Thus, the interfacial resistance can be dominant especially in thin, dry membranes and can affect overall fuel-cell performance.« less

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

PubMed

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

2018-05-02

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

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

PubMed

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

2004-06-15

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

Single-Molecule Interfacial Electron Transfer

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

Ho, Wilson

Interfacial electron transfer (ET) plays an important role in many chemical and biological processes. Specifically, interfacial ET in TiO 2-based systems is important to solar energy technology, catalysis, and environmental remediation technology. However, the microscopic mechanism of interfacial ET is not well understood with regard to atomic surface structure, molecular structure, bonding, orientation, and motion. In this project, we used two complementary methodologies; single-molecule fluorescence spectroscopy, and scanning-tunneling microscopy and spectroscopy (STM and STS) to address this scientific need. The goal of this project was to integrate these techniques and measure the molecular dependence of ET between adsorbed molecules andmore » TiO 2 semiconductor surfaces and the ET induced reactions such as the splitting of water. The scanning probe techniques, STM and STS, are capable of providing the highest spatial resolution but not easily time-resolved data. Single-molecule fluorescence spectroscopy is capable of good time resolution but requires further development to match the spatial resolution of the STM. The integrated approach involving Peter Lu at Bowling Green State University (BGSU) and Wilson Ho at the University of California, Irvine (UC Irvine) produced methods for time and spatially resolved chemical imaging of interfacial electron transfer dynamics and photocatalytic reactions. An integral aspect of the joint research was a significant exchange of graduate students to work at the two institutions. This project bridged complementary approaches to investigate a set of common problems by working with the same molecules on a variety of solid surfaces, but using appropriate techniques to probe under ambient (BGSU) and ultrahigh vacuum (UCI) conditions. The molecular level understanding of the fundamental interfacial electron transfer processes obtained in this joint project will be important for developing efficient light harvesting, solar

Effect of interfacial turbulence and accommodation coefficient on CFD predictions of pressurization and pressure control in cryogenic storage tank

NASA Astrophysics Data System (ADS)

Kassemi, Mohammad; Kartuzova, Olga

2016-03-01

Pressurization and pressure control in cryogenic storage tanks are to a large extent affected by heat and mass transport across the liquid-vapor interface. These mechanisms are, in turn, controlled by the kinetics of the phase change process and the dynamics of the turbulent recirculating flows in the liquid and vapor phases. In this paper, the effects of accommodation coefficient and interfacial turbulence on tank pressurization and pressure control simulations are examined. Comparison between numerical predictions and ground-based measurements in two large liquid hydrogen tank experiments, performed in the K-site facility at NASA Glenn Research Center (GRC) and the Multi-purpose Hydrogen Test Bed (MHTB) facility at NASA Marshall Space Flight Center (MSFC), are used to show the impact of accommodation coefficient and interfacial and vapor phase turbulence on evolution of pressure and temperatures in the cryogenic storage tanks. In particular, the self-pressurization comparisons indicate that: (1) numerical predictions are essentially independent of the magnitude of the accommodation coefficient; and (2) surprisingly, laminar models sometimes provide results that are in better agreement with experimental self-pressurization rates, even in parametric ranges where the bulk flow is deemed fully turbulent. In this light, shortcomings of the present CFD models, especially, numerical treatments of interfacial mass transfer and turbulence, as coupled to the Volume-of-Fluid (VOF) interface capturing scheme, are underscored and discussed.

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.

Quantum interference in an interfacial superconductor.

PubMed

Goswami, Srijit; Mulazimoglu, Emre; Monteiro, Ana M R V L; Wölbing, Roman; Koelle, Dieter; Kleiner, Reinhold; Blanter, Ya M; Vandersypen, Lieven M K; Caviglia, Andrea D

2016-10-01

The two-dimensional superconductor that forms at the interface between the complex oxides lanthanum aluminate (LAO) and strontium titanate (STO) has several intriguing properties that set it apart from conventional superconductors. Most notably, an electric field can be used to tune its critical temperature (T c ; ref. 7), revealing a dome-shaped phase diagram reminiscent of high-T c superconductors. So far, experiments with oxide interfaces have measured quantities that probe only the magnitude of the superconducting order parameter and are not sensitive to its phase. Here, we perform phase-sensitive measurements by realizing the first superconducting quantum interference devices (SQUIDs) at the LAO/STO interface. Furthermore, we develop a new paradigm for the creation of superconducting circuit elements, where local gates enable the in situ creation and control of Josephson junctions. These gate-defined SQUIDs are unique in that the entire device is made from a single superconductor with purely electrostatic interfaces between the superconducting reservoir and the weak link. We complement our experiments with numerical simulations and show that the low superfluid density of this interfacial superconductor results in a large, gate-controllable kinetic inductance of the SQUID. Our observation of robust quantum interference opens up a new pathway to understanding the nature of superconductivity at oxide interfaces.

Interfacial rheology of asphaltenes at oil-water interfaces and interpretation of the equation of state.

PubMed

Rane, Jayant P; Pauchard, Vincent; Couzis, Alexander; Banerjee, Sanjoy

2013-04-16

In an earlier study, oil-water interfacial tension was measured by the pendant drop technique for a range of oil-phase asphaltene concentrations and viscosities. The interfacial tension was found to be related to the relative surface coverage during droplet expansion. The relationship was independent of aging time and bulk asphaltenes concentration, suggesting that cross-linking did not occur at the interface and that only asphaltene monomers were adsorbed. The present study extends this work to measurements of interfacial rheology with the same fluids. Dilatation moduli have been measured using the pulsating droplet technique at different frequencies, different concentrations (below and above CNAC), and different aging times. Care was taken to apply the technique in conditions where viscous and inertial effects are small. The elastic modulus increases with frequency and then plateaus to an asymptotic value. The asymptotic or instantaneous elasticity has been plotted against the interfacial tension, indicating the existence of a unique relationship, between them, independent of adsorption conditions. The relationship between interfacial tension and surface coverage is analyzed with a Langmuir equation of state. The equation of state also enabled the prediction of the observed relationship between the instantaneous elasticity and interfacial tension. The fit by a simple Langmuir equation of state (EOS) suggests minimal effects of aging and of nanoaggregates or gel formation at the interface. Only one parameter is involved in the fit, which is the surface excess coverage Γ∞ = 3.2 molecules/nm(2) (31.25 Å(2)/molecule). This value appears to agree with flat-on adsorption of monomeric asphaltene structures consisting of aromatic cores composed of an average of six fused rings and supports the hypothesis that nanoaggregates do not adsorb on the interface. The observed interfacial effects of the adsorbed asphaltenes, correlated by the Langmuir EOS, are consistent with

Interfacial Materials for Organic Solar Cells: Recent Advances and Perspectives

PubMed Central

Yin, Zhigang; Wei, Jiajun

2016-01-01

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

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

PubMed

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

2014-11-01

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

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

NASA Astrophysics Data System (ADS)

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

2015-01-01

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

The role of Minkowski functionals in the thermodynamics of two-phase systems

NASA Astrophysics Data System (ADS)

Eder, Gerhard

2018-01-01

Within this work quite old concepts from integral geometry are applied to classical equilibrium thermodynamics of two-phase systems. In addition to the area as basic interfacial quantity the full geometric characterization of the interface is used, which includes the two remaining Minkowski functionals, the mean curvature integral and the Euler Poincaré characteristic. The basic energetic characteristic of the interface (i.e. the interfacial tension) is extended by two additional properties: edge force as (up to a factor 4/π) the work necessary to form a right-angled edge of unit length, and item energy as the work to form an additional item in the phase morphology. Both quantities are of increasing importance, when going to micro- and nano-scales. They are subsequently used for interfaces of arbitrary shape to derive a relationship extending the classical Young-Laplace equation. The supplementary contribution is proportional to the Gaussian curvature, with the edge force as proportionality constant. Furthermore, both edge force and item energy are shown to be applicable to the description of crystal nucleation in liquids (extending the classical Becker Döring theory). It turns out, that even above the thermodynamic melting temperature stable nuclei can be present in the liquid phase. They immediately are able to grow when quenched to a temperature below a characteristic temperature. This temperature of spontaneous homogeneous nucleation is simply connected to the edge force, whereas the number of stable clusters per unit volume is dominated by the item energy. Finally, the additional energetic interfacial properties are used in a similar way to characterize the stability of emulsions.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

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

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

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.

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

PubMed

Kulkarni, Amol A; Sebastian Cabeza, Victor

2017-12-19

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

Influence of Cr and W alloying on the fiber-matrix interfacial shear strength in cast and directionally solidified sapphire NiAl composites

NASA Technical Reports Server (NTRS)

Asthana, R.; Tiwari, R.; Tewari, S. N.

1995-01-01

Sapphire-reinforced NiAl matrix composites with chromium or tungsten as alloying additions were synthesized using casting and zone directional solidification (DS) techniques and characterized by a fiber pushout test as well as by microhardness measurements. The sapphire-NiAl(Cr) specimens exhibited an interlayer of Cr rich eutectic at the fiber-matrix interface and a higher interfacial shear strength compared to unalloyed sapphire-NiAl specimens processed under identical conditions. In contrast, the sapphire-NiAl(W) specimens did not show interfacial excess of tungsten rich phases, although the interfacial shear strength was high and comparable to that of sapphire-NiAl(Cr). The postdebond sliding stress was higher in sapphire-NiAl(Cr) than in sapphire-NiAl(W) due to interface enrichment with chromium particles. The matrix microhardness progressively decreased with increasing distance from the interface in both DS NiAl and NiAl(Cr) specimens. The study highlights the potential of casting and DS techniques to improve the toughness and strength of NiAl by designing dual-phase microstructures in NiAl alloys reinforced with sapphire fibers.

Interfacial layers in high-temperature-oxidized NiCrAl

NASA Technical Reports Server (NTRS)

Larson, L. A.; Browning, R.; Poppa, H.; Smialek, J.

1983-01-01

The utility of Auger electron spectroscopy combined with ball cratering for depth analysis of oxide and diffusion layers produced in a Ni-14Cr-24Al alloy by oxidation in air at 1180 C for 25 hr is demonstrated. During postoxidation cooling, the oxide layers formed by this alloy spalled profusely. The remaining very thin oxide was primarily Cr2O3 with a trace of Ni. The underlying metal substrate exhibited gamma/gamma-prime and beta phases with a metallic interfacial layer which was similar to the bulk gamma/gamma-prime phase but slightly enriched in Cr and Al. These data are compared to electron microprobe results from a nominally identical alloy. The diffusion layer thickness is modelled with a simple mass balance equation and compared to recent results on the diffusion process in NiCrAl alloys.

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

NASA Astrophysics Data System (ADS)

Kundin, Julia; Choudhary, Muhammad Ajmal

2016-07-01

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

High temperature interfacial superconductivity

DOEpatents

Bozovic, Ivan [Mount Sinai, NY; Logvenov, Gennady [Port Jefferson Station, NY; Gozar, Adrian Mihai [Port Jefferson, NY

2012-06-19

High-temperature superconductivity confined to nanometer-scale interfaces has been a long standing goal because of potential applications in electronic devices. The spontaneous formation of a superconducting interface in bilayers consisting of an insulator (La.sub.2CuO.sub.4) and a metal (La.sub.1-xSr.sub.xCuO.sub.4), neither of which is superconducting per se, is described. Depending upon the layering sequence of the bilayers, T.sub.c may be either .about.15 K or .about.30 K. This highly robust phenomenon is confined to within 2-3 nm around the interface. After exposing the bilayer to ozone, T.sub.c exceeds 50 K and this enhanced superconductivity is also shown to originate from a 1 to 2 unit cell thick interfacial layer. The results demonstrate that engineering artificial heterostructures provides a novel, unconventional way to fabricate stable, quasi two-dimensional high T.sub.c phases and to significantly enhance superconducting properties in other superconductors. The superconducting interface may be implemented, for example, in SIS tunnel junctions or a SuFET.

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.

Optimization of residual stresses in MMC's through the variation of interfacial layer architectures and processing parameters

NASA Technical Reports Server (NTRS)

Pindera, Marek-Jerzy; Salzar, Robert S.

1996-01-01

The objective of this work was the development of efficient, user-friendly computer codes for optimizing fabrication-induced residual stresses in metal matrix composites through the use of homogeneous and heterogeneous interfacial layer architectures and processing parameter variation. To satisfy this objective, three major computer codes have been developed and delivered to the NASA-Lewis Research Center, namely MCCM, OPTCOMP, and OPTCOMP2. MCCM is a general research-oriented code for investigating the effects of microstructural details, such as layered morphology of SCS-6 SiC fibers and multiple homogeneous interfacial layers, on the inelastic response of unidirectional metal matrix composites under axisymmetric thermomechanical loading. OPTCOMP and OPTCOMP2 combine the major analysis module resident in MCCM with a commercially-available optimization algorithm and are driven by user-friendly interfaces which facilitate input data construction and program execution. OPTCOMP enables the user to identify those dimensions, geometric arrangements and thermoelastoplastic properties of homogeneous interfacial layers that minimize thermal residual stresses for the specified set of constraints. OPTCOMP2 provides additional flexibility in the residual stress optimization through variation of the processing parameters (time, temperature, external pressure and axial load) as well as the microstructure of the interfacial region which is treated as a heterogeneous two-phase composite. Overviews of the capabilities of these codes are provided together with a summary of results that addresses the effects of various microstructural details of the fiber, interfacial layers and matrix region on the optimization of fabrication-induced residual stresses in metal matrix composites.

Interfacial activity in alkaline flooding enhanced oil recovery

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

Chan, M.K.

1981-01-01

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

Interfacial 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.

pH-Induced Changes in the Surface Viscosity of Unsaturated Phospholipids Monitored Using Active Interfacial Microrheology.

PubMed

Ghazvini, Saba; Alonso, Ryan; Alhakamy, Nabil; Dhar, Prajnaparamita

2018-01-23

Lipid membranes, a major component of cells, are subjected to significant changes in pH depending on their location in the cell: the outer leaflet of the cell membrane is exposed to a pH of 7.4 whereas lipid membranes that make up late endosomes and lysosomes are exposed to a pH of as low as 4.4. The purpose of this study is to evaluate how changes in the environmental pH within cells alter the fluidity of phospholipid membranes. Specifically, we studied pH-induced alterations in the surface arrangement of monounsaturated lipids with zwitterionic headgroups (phosphoethanolamine (PE) and phosphocholine (PC)) that are abundant in plasma membranes as well as anionic lipids (phosphatidylserine (PS) and phosphatidylglycerol (PG)) that are abundant in inner membranes using a combination of techniques including surface tension vs area measurements, interfacial microrheology, and fluorescence/atomic force microscopy. Using an active interfacial microrheology technique, we find that phospholipids with zwitterionic headgroups show a significant increase in their surface viscosity at acidic pH. This increase in surface viscosity is also found to depend on the size of the lipid headgroup, with a smaller headgroup showing a greater increase in viscosity. The observed pH-induced increase in viscosity is also accompanied by an increase in the cohesion pressure between zwitterionic molecules at acidic pH and a decrease in the average molecular area of the lipids, as measured by fitting the surface pressure isotherms to well-established equations of state. Because fluorescent images show no change in the phase of the lipids, we attribute this change in surface viscosity to the pH-induced reorientation of the P - -N + dipoles that form part of the polar lipid headgroup, resulting in increased lipid-lipid interactions. Anionic PG headgroups do not demonstrate this pH-induced change in viscosity, suggesting that the presence of a net negative charge on the headgroup causes

Drug solubility in lipid nanocarriers: Influence of lipid matrix and available interfacial area.

PubMed

Göke, Katrin; Bunjes, Heike

2017-08-30

Amongst other strategies for the formulation of poorly water-soluble drugs, solubilization of these drugs in lipid-based formulations is a promising option. Most screening methods for the identification of a suitable lipid-based formulation fail to elucidate the role interfacial effects play for drug solubility in disperse systems. In a novel screening approach called passive drug loading, different preformed lipid nanocarrier dispersions are incubated with drug powder. Afterwards, undissolved drug is filtered off and the amount of solubilized drug is determined. The aim of this study was to identify parameters for drug solubility in pure lipids as well as for drug loading to the lipid-water interface of lipid nanoparticles. Using passive loading, the solubility of eight poorly water-soluble drugs in seven lipid nanocarriers varying in particle size or lipid matrix was investigated. Drug solubility in the nanocarriers did not follow any apparent trend and different drugs dissolved best in different carriers. Drugs with a melting point below approximately 150°C displayed distinctly better solubility than higher melting drugs. Additionally, relating the specific lipid nanocarrier surface area to the drug solubility allowed drawing conclusions on the drug localization. Fenofibrate, dibucaine and, less distinctly also clotrimazole, which all melt below 150°C, were predominantly located in the lipid droplet core of the nanoparticles. In contrast, the five remaining drugs (betamethasone valerate, flufenamic acid, itraconazole, ketoconazole, mefenamic acid) were also located at the lipid-water interface to different, but substantial degrees. The ability to account for drug loading to the lipid-water interface is thus a major advantage of passive loading. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of high pressure homogenization on the structure and the interfacial and emulsifying properties of β-lactoglobulin.

PubMed

Ali, Ali; Le Potier, Isabelle; Huang, Nicolas; Rosilio, Véronique; Cheron, Monique; Faivre, Vincent; Turbica, Isabelle; Agnely, Florence; Mekhloufi, Ghozlene

2018-02-15

The effect of high pressure homogenization (HPH) on the structure of β-lactoglobulin (β-lg) was studied by combining spectroscopic, chromatographic, and electrophoretic methods. The consequences of the resulting structure modifications on oil/water (O/W) interfacial properties were also assessed. Moderated HPH treatment (100 MPa/4 cycles) showed no significant modification of protein structure and interfacial properties. However, a harsher HPH treatment (300 MPa/5 cycles) induced structural transformation, mainly from β-sheets to random coils, wide loss in lipocalin core, and protein aggregation via intermolecular disulfide bridges. HPH-modified β-lg displayed higher surface hydrophobicity leading to a faster adsorption rate at the interface and an earlier formation of an elastic interfacial film at C β-lg  = 0.1 wt%. However, no modification of the interfacial properties was observed at C β-lg  = 1 wt%. At this protein concentration, the prior denaturation of β-lg by HPH did not modify the droplet size of nanoemulsions prepared with these β-lg solutions as the aqueous phases. A slightly increased creaming rate was however observed. The effects of HPH and heat denaturations appeared qualitatively similar, but with differences in their extent. Copyright © 2017 Elsevier B.V. All rights reserved.

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

PubMed Central

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

2012-01-01

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

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

Interfacial tension measurement of immiscible liq uids using a capillary tube

NASA Technical Reports Server (NTRS)

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

1992-01-01

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

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.

Microfluidic ultralow interfacial tensiometry with magnetic particles.

PubMed

Tsai, Scott S H; Wexler, Jason S; Wan, Jiandi; Stone, Howard A

2013-01-07

We describe a technique that measures ultralow interfacial tensions using paramagnetic spheres in a co-flow microfluidic device designed with a magnetic section. Our method involves tuning the distance between the co-flowing interface and the magnet's center, and observing the behavior of the spheres as they approach the liquid-liquid interface-the particles either pass through or are trapped by the interface. Using threshold values of the magnet-to-interface distance, we make estimates of the two-fluid interfacial tension. We demonstrate the effectiveness of this technique for measuring very low interfacial tensions, O(10(-6)-10(-5)) N m(-1), by testing solutions of different surfactant concentrations, and we show that our results are comparable with measurements made using a spinning drop tensiometer.

Understanding the interfacial chain dynamics of fiber-reinforced polymer composite

NASA Astrophysics Data System (ADS)

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

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

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.

Structure of interfaces at phase coexistence. Theory and numerics

NASA Astrophysics Data System (ADS)

Delfino, Gesualdo; Selke, Walter; Squarcini, Alessio

2018-05-01

We compare results of the exact field theory of phase separation in two dimensions with Monte Carlo simulations for the q-state Potts model with boundary conditions producing an interfacial region separating two pure phases. We confirm in particular the theoretical predictions that below critical temperature the surplus of non-boundary colors appears in drops along a single interface, while for q  >  4 at critical temperature there is formation of two interfaces enclosing a macroscopic disordered layer. These qualitatively different structures of the interfacial region can be discriminated through a measurement at a single point for different system sizes.

Exchange bias mediated by interfacial nanoparticles (invited)

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

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

2015-05-07

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

Magneto-ionic control of interfacial magnetism

NASA Astrophysics Data System (ADS)

Bauer, Uwe; Yao, Lide; Tan, Aik Jun; Agrawal, Parnika; Emori, Satoru; Tuller, Harry L.; van Dijken, Sebastiaan; Beach, Geoffrey S. D.

2015-02-01

In metal/oxide heterostructures, rich chemical, electronic, magnetic and mechanical properties can emerge from interfacial chemistry and structure. The possibility to dynamically control interface characteristics with an electric field paves the way towards voltage control of these properties in solid-state devices. Here, we show that electrical switching of the interfacial oxidation state allows for voltage control of magnetic properties to an extent never before achieved through conventional magneto-electric coupling mechanisms. We directly observe in situ voltage-driven O2- migration in a Co/metal-oxide bilayer, which we use to toggle the interfacial magnetic anisotropy energy by >0.75 erg cm-2 at just 2 V. We exploit the thermally activated nature of ion migration to markedly increase the switching efficiency and to demonstrate reversible patterning of magnetic properties through local activation of ionic migration. These results suggest a path towards voltage-programmable materials based on solid-state switching of interface oxygen chemistry.

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

DTIC Science & Technology

2015-06-16

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

Surface area generation and droplet size control in solvent extraction systems utilizing high intensity electric fields

DOEpatents

Scott, Timothy C.; Wham, Robert M.

1988-01-01

A method and system for solvent extraction where droplets are shattered by a high intensity electric field. These shattered droplets form a plurality of smaller droplets which have a greater combined surface area than the original droplet. Dispersion, coalescence and phase separation are accomplished in one vessel through the use of the single pulsing high intensity electric field. Electric field conditions are chosen so that simultaneous dispersion and coalescence are taking place in the emulsion formed in the electric field. The electric field creates a large amount of interfacial surface area for solvent extraction when the droplet is disintegrated and is capable of controlling droplet size and thus droplet stability. These operations take place in the presence of a counter current flow of the continuous phase.

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

Root Cause Investigation of Lead-Free Solder Joint Interfacial Failures After Multiple Reflows

NASA Astrophysics Data System (ADS)

Li, Yan; Hatch, Olen; Liu, Pilin; Goyal, Deepak

2017-03-01

Solder joint interconnects in three-dimensional (3D) packages with package stacking configurations typically must undergo multiple reflow cycles during the assembly process. In this work, interfacial open joint failures between the bulk solder and the intermetallic compound (IMC) layer were found in Sn-Ag-Cu (SAC) solder joints connecting a small package to a large package after multiple reflow reliability tests. Systematic progressive 3D x-ray computed tomography experiments were performed on both incoming and assembled parts to reveal the initiation and evolution of the open failures in the same solder joints before and after the reliability tests. Characterization studies, including focused ion beam cross-sections, scanning electron microscopy, and energy-dispersive x-ray spectroscopy, were conducted to determine the correlation between IMC phase transformation and failure initiation in the solder joints. A comprehensive failure mechanism, along with solution paths for the solder joint interfacial failures after multiple reflow cycles, is discussed in detail.

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.

Synthesis and electrochemical properties of polyaniline nanofibers by interfacial polymerization.

PubMed

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

2012-04-01

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

Polymer-grafted Lignin: Molecular Design and Interfacial Activities

NASA Astrophysics Data System (ADS)

Gupta, Chetali

The broader technical objective of this work is to develop a strategy for using the biopolymer lignin in a wide variety of surfactant applications through polymer grafting. These applications include emulsion stabilizers, dispersants and foaming agents. The scientific objective of the research performed within this thesis is to understand the effect of molecular architecture and polymer grafting on the interfacial activity at the air-liquid, liquid-liquid and solid-liquid interface. Research has focused on designing of these lignopolymers with controlled architecture using polyethylene glycol, poly(acrylic acid) and polyacrylamide grafts. The interfacial activity for all polymer grafts has been tested at all three interfaces using a broad range of techniques specific to the interface. Results have shown that the hydrophobicity of the lignin core is responsible for enhanced interfacial activity at the air-liquid and liquid-liquid interface. Conversely, improved hydrophilicity and "electrosteric" interactions are required for higher interfacial activity of the lignin at the liquid-solid interface. The high interfacial activity of the polymer-grafted lignin observed in the air-liquid and liquid-liquid interfaces not only resulted in viscosity reduction but also strength enhancement at the liquid-solid interface. The broader implication of this study is to be able to predict what chemical functionalities need to be adjusted to get the desired viscosity reduction.

Interfacial Properties of NTAIL, an Intrinsically Disordered Protein.

PubMed

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

2017-12-19

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

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

DOE PAGES

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

2014-07-25

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

A solution-processed binary cathode interfacial layer facilitates electron extraction for inverted polymer solar cells.

PubMed

Zhang, Xinyuan; Li, Zhiqi; Liu, Chunyu; Guo, Jiaxin; Shen, Liang; Guo, Wenbin

2018-03-15

The charge transfer and separation are significantly affected by the electron properties of the interface between the electron-donor layer and the carrier-transporting layer in polymer solar cells (PSCs). In this study, we investigate the electron extraction mechanism of PSCs with a low temperature solution-processed ZnO/PEI as electron transport layer. The incorporation of PEI layer can decrease the work function of ZnO and reduce interfacial barrier, which facilitates electron extraction and suppresses bimolecular recombination, leading to a significant performance enhancement. Furthermore, PEI layer can induce phase separation and passivite inorganic surface trap states as well as shift the interfacial energy offset between metal oxide and organic materials. This work offers a simple and effective way to improve the charge transporting property of organic photovoltaic devices. Copyright © 2017 Elsevier Inc. All rights reserved.

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.

Defects, Entropy, and the Stabilization of Alternative Phase Boundary Orientations in Battery Electrode Particles

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

Heo, Tae Wook; Tang, Ming; Chen, Long-Qing

Using a novel statistical approach that efficiently explores the space of possible defect configurations, our present study investigates the chemomechanical coupling between interfacial structural defects and phase boundary alignments within phase-separating electrode particles. Applied to the battery cathode material Li XFePO 4 as an example, the theoretical analysis reveals that small, defect-induced deviations from an ideal interface can lead to dramatic shifts in the orientations of phase boundaries between Li-rich and Li-lean phases, stabilizing otherwise unfavorable orientations. Significantly, this stabilization arises predominantly from configurational entropic factors associated with the presence of the interfacial defects rather than from absolute energetic considerations.more » The specific entropic factors pertain to the diversity of defect configurations and their contributions to rotational/orientational rigidity of phase boundaries. Comparison of the predictions with experimental observations indicates that the additional entropy contributions indeed play a dominant role under actual cycling conditions, leading to the conclusion that interfacial defects must be considered when analyzing the stability and evolution kinetics of the internal phase microstructure of strongly phase-separating systems. Possible implications for tuning the kinetics of (de)lithiation based on selective defect incorporation are discussed. Ultimately, this understanding can be generalized to the chemomechanics of other defective solid phase boundaries.« less

Defects, Entropy, and the Stabilization of Alternative Phase Boundary Orientations in Battery Electrode Particles

DOE PAGES

Heo, Tae Wook; Tang, Ming; Chen, Long-Qing; ...

2016-01-04

Using a novel statistical approach that efficiently explores the space of possible defect configurations, our present study investigates the chemomechanical coupling between interfacial structural defects and phase boundary alignments within phase-separating electrode particles. Applied to the battery cathode material Li XFePO 4 as an example, the theoretical analysis reveals that small, defect-induced deviations from an ideal interface can lead to dramatic shifts in the orientations of phase boundaries between Li-rich and Li-lean phases, stabilizing otherwise unfavorable orientations. Significantly, this stabilization arises predominantly from configurational entropic factors associated with the presence of the interfacial defects rather than from absolute energetic considerations.more » The specific entropic factors pertain to the diversity of defect configurations and their contributions to rotational/orientational rigidity of phase boundaries. Comparison of the predictions with experimental observations indicates that the additional entropy contributions indeed play a dominant role under actual cycling conditions, leading to the conclusion that interfacial defects must be considered when analyzing the stability and evolution kinetics of the internal phase microstructure of strongly phase-separating systems. Possible implications for tuning the kinetics of (de)lithiation based on selective defect incorporation are discussed. Ultimately, this understanding can be generalized to the chemomechanics of other defective solid phase boundaries.« less

Interfacial properties and coal cleaning in the LICADO process

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

Chi, S.M.B.

1986-01-01

The LICADO LIquid CArbon DiOxide process is currently being investigated as a new technique for cleaning coal. It relies on the relative wettability of clean coal and mineral particles between liquid CO/sub 2/ and water so that when liquid CO/sub 2/ is dispersed into a coal-water slurry, it tends to form agglomerates with the clean coal particles and float them to the liquid CO/sub 2/ phase. The mineral particles, on the other hand, remain in the aqueous phase as refuse. Since the surface/interfacial properties of fine coal particles play such an important role in this coal cleaning operation, an understandingmore » of their behavior becomes indispensable. In order to understand the separation mechanisms involved in the LICADO process, it is necessary to study the interfacial interactions occurring in the CO/sub 2/-water-coal system. It is believed that a relationship between the process performance and the wetting characteristics of the coal/refuse particles can be established. Upper Freeport -200 mesh coal from Indiana County, PA with 23.5% ash content was selected for the experimental work. A specially designed high pressure experimental unit, equipped with necessary optical and photographic accessories, was constructed for this study. Contact angles were also measured on the coal surface under two different sample pretreatment conditions: water-first-wet and liquid CO/sub 2/-first-wet. The results infer that an optimum mixing is necessary to provide sufficient shear force to expose the clean coal particles to the CO/sub 2/ droplets. The coal maceral and mineral association on the coal particle surface was determined based on the reflective grey level distinction between the mineral and Litho-type of various coal components.« less

Reconstruction of Porous Media with Multiple Solid Phases

PubMed

Losic; Thovert; Adler

1997-02-15

A process is proposed to generate three-dimensional multiphase porous media with fixed phase probabilities and an overall correlation function. By varying the parameters, a specific phase can be located either at the interface between two phases or within a single phase. When the interfacial phase has a relatively small probability, its shape can be chosen as granular or lamellar. The influence of a third phase on the macroscopic conductivity of a medium is illustrated.

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

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

PubMed

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

2018-02-01

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

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

PubMed

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

2017-04-26

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

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

First principles investigation of the unipolar resistive switching mechanism in an interfacial phase change memory based on a GeTe/Sb2Te3 superlattice

NASA Astrophysics Data System (ADS)

Shirakawa, Hiroki; Araidai, Masaaki; Shiraishi, Kenji

2018-04-01

The interfacial phase change memory (iPCM) based on a GeTe/Sb2Te3 superlattice is one of the candidates for future storage class memories. However, the atomic structures of the high and low resistance states (HRS/LRS) remain unclear and the resistive switching mechanism is still under debate. Clarifying the switching mechanism is essential for developing further high-reliability and low-power-consumption iPCM. We propose, on the basis of the results of first-principles molecular dynamics simulations, a mechanism for resistive switching, and describe the atomic structures of the high and low resistance states of iPCM for unipolar switching. Our simulations indicated that switching from HRS to LRS occurs with Joule heating only, while that from LRS to HRS occurs with both hole injection and Joule heating.

Computational and Experimental Investigation of Interfacial Area in Near-Field Diesel Spray Simulation

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

Pandal, Adrian; Pastor, Jose M.; Payri, Raul

The dense spray region in the near-field of diesel fuel injection remains an enigma. This region is difficult to interrogate with light in the visible range and difficult to model due to the rapid interaction between liquid and gas. In particular, modeling strategies that rely on Lagrangian particle tracking of droplets have struggled in this area. To better represent the strong interaction between phases, Eulerian modeling has proven particularly useful. Models built on the concept of surface area density are advantageous where primary and secondary atomization have not yet produced droplets, but rather form more complicated liquid structures. Surface areamore » density, a more general concept than Lagrangian droplets, naturally represents liquid structures, no matter how complex. These surface area density models, however, have not been directly experimentally validated in the past due to the inability of optical methods to elucidate such a quantity. Optical diagnostics traditionally measure near-spherical droplet size far downstream, where the spray is optically thin. Using ultra-small-angle x-ray scattering (USAXS) measurements to measure the surface area and x-ray radiography to measure the density, we have been able to test one of the more speculative parts of Eulerian spray modeling. In conclusion, the modeling and experimental results have been combined to provide insight into near-field spray dynamics.« less

Computational and Experimental Investigation of Interfacial Area in Near-Field Diesel Spray Simulation

DOE PAGES

Pandal, Adrian; Pastor, Jose M.; Payri, Raul; ...

2017-03-28

The dense spray region in the near-field of diesel fuel injection remains an enigma. This region is difficult to interrogate with light in the visible range and difficult to model due to the rapid interaction between liquid and gas. In particular, modeling strategies that rely on Lagrangian particle tracking of droplets have struggled in this area. To better represent the strong interaction between phases, Eulerian modeling has proven particularly useful. Models built on the concept of surface area density are advantageous where primary and secondary atomization have not yet produced droplets, but rather form more complicated liquid structures. Surface areamore » density, a more general concept than Lagrangian droplets, naturally represents liquid structures, no matter how complex. These surface area density models, however, have not been directly experimentally validated in the past due to the inability of optical methods to elucidate such a quantity. Optical diagnostics traditionally measure near-spherical droplet size far downstream, where the spray is optically thin. Using ultra-small-angle x-ray scattering (USAXS) measurements to measure the surface area and x-ray radiography to measure the density, we have been able to test one of the more speculative parts of Eulerian spray modeling. In conclusion, the modeling and experimental results have been combined to provide insight into near-field spray dynamics.« less

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.

Identifying Mechanisms of Interfacial Dynamics Using Single-Molecule Tracking

PubMed Central

Kastantin, Mark; Walder, Robert; Schwartz, Daniel K.

2012-01-01

The “soft” (i.e. non-covalent) interactions between molecules and surfaces are complex and highly-varied (e.g. hydrophobic, hydrogen bonding, ionic) often leading to heterogeneous interfacial behavior. Heterogeneity can arise either from spatial variation of the surface/interface itself or from molecular configurations (i.e. conformation, orientation, aggregation state, etc.). By observing adsorption, diffusion, and desorption of individual fluorescent molecules, single-molecule tracking can characterize these types of heterogeneous interfacial behavior in ways that are inaccessible to traditional ensemble-averaged methods. Moreover, the fluorescence intensity or emission wavelength (in resonance energy transfer experiments) can be used to simultaneously track molecular configuration and directly relate this to the resulting interfacial mobility or affinity. In this feature article, we review recent advances involving the use of single-molecule tracking to characterize heterogeneous molecule-surface interactions including: multiple modes of diffusion and desorption associated with both internal and external molecular configuration, Arrhenius activated interfacial transport, spatially dependent interactions, and many more. PMID:22716995

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

PubMed

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

1990-03-01

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

Large Area Crop Inventory Experiment (LACIE). Phase 2 evaluation report

NASA Technical Reports Server (NTRS)

1977-01-01

Documentation of the activities of the Large Area Crop Inventory Experiment during the 1976 Northern Hemisphere crop year is presented. A brief overview of the experiment is included as well as phase two area, yield, and production estimates for the United States Great Plains, Canada, and the Union of Soviet Socialist Republics spring winter wheat regions. The accuracies of these estimates are compared with independent government estimates. Accuracy assessment of the United States Great Plains yardstick region based on a through blind sight analysis is given, and reasons for variations in estimating performance are discussed. Other phase two technical activities including operations, exploratory analysis, reporting, methods of assessment, phase three and advanced system design, technical issues, and developmental activities are also included.

Influences of electric current on the wettability and interfacial microstructure in Sn/Fe system

NASA Astrophysics Data System (ADS)

Shen, Ping; Gu, Yan; Yang, Nan-Nan; Zheng, Rui-Peng; Ren, Li-Hua

2015-02-01

The wettability of oxidized and clean Fe substrates by liquid Sn was investigated using a dispensed sessile drop method with and without the application of a direct current (DC) and their interfacial microstructures were compared. The initial contact angles were 107 ± 3° at 623 K when the Fe substrate was covered by an oxide film, and they did not show an appreciable decrease during isothermal dwells in the absence of DC application but progressively decreased to 42 ± 3° when a 7.5 ampere current was applied. However, in the case of the oxide film being removed by a high-vacuum pre-annealing treatment at 1073 K, the current and its polarity had a negligible effect on the wetting behavior. Nevertheless, they had a noticeable influence on the interfacial microstructure. In the absence of DC, the interface was covered by a product layer consisting of a single FeSn2 phase for the samples tested at 623 K and the FeSn2/FeSn2 grain boundaries were incompletely wetted by the Sn melt; whereas, under DC, the reaction layer was much thicker and the Sn melt wet well the FeSn2/FeSn2 grain boundaries. Moreover, a FeSn phase also formed as a result of enhanced mass transfer. The amount of the FeSn phase was larger and the grain boundary wetting of FeSn2 by liquid Sn was better for the current flowing from the molten Sn drop to the Fe substrate due to an electromigration effect.

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.

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

PubMed

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

2017-02-17

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

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

Arresting dissolution by interfacial rheology design

PubMed Central

Beltramo, Peter J.; Gupta, Manish; Alicke, Alexandra; Liascukiene, Irma; Gunes, Deniz Z.; Baroud, Charles N.

2017-01-01

A strategy to halt dissolution of particle-coated air bubbles in water based on interfacial rheology design is presented. Whereas previously a dense monolayer was believed to be required for such an “armored bubble” to resist dissolution, in fact engineering a 2D yield stress interface suffices to achieve such performance at submonolayer particle coverages. We use a suite of interfacial rheology techniques to characterize spherical and ellipsoidal particles at an air–water interface as a function of surface coverage. Bubbles with varying particle coverages are made and their resistance to dissolution evaluated using a microfluidic technique. Whereas a bare bubble only has a single pressure at which a given radius is stable, we find a range of pressures over which bubble dissolution is arrested for armored bubbles. The link between interfacial rheology and macroscopic dissolution of ∼ 100 μm bubbles coated with ∼ 1 μm particles is presented and discussed. The generic design rationale is confirmed by using nonspherical particles, which develop significant yield stress at even lower surface coverages. Hence, it can be applied to successfully inhibit Ostwald ripening in a multitude of foam and emulsion applications. PMID:28893993

Interfacial Symmetry Control of Emergent Ferromagnetism

NASA Astrophysics Data System (ADS)

Grutter, Alexander; Borchers, Julie; Kirby, Brian; He, Chunyong; Arenholz, Elke; Vailionis, Arturas; Flint, Charles; Suzuki, Yuri

Atomically precise complex oxide heterostructures provide model systems for the discovery of new emergent phenomena since their magnetism, structure and electronic properties are strongly coupled. Octahedral tilts and rotations have been shown to alter the magnetic properties of complex oxide heterostructures, but typically induce small, gradual magnetic changes. Here, we demonstrate sharp switching between ferromagnetic and antiferromagnetic order at the emergent ferromagnetic interfaces of CaRuO3/CaMnO3 superlattices. Through synchrotron X-ray diffraction and neutron reflectometry, we show that octahedral distortions in superlattices with an odd number of CaMnO3 unit cells in each layer are symmetry mismatched across the interface. In this case, the rotation symmetry switches across the interface, reducing orbital overlap, suppressing charge transfer from Ru to Mn, and disrupting the interfacial double exchange. This disruption switches half of the interfaces from ferromagnetic to antiferromagnetic and lowers the saturation magnetic of the superlattice from 1.0 to 0.5 μB/interfacial Mn. By targeting a purely interfacial emergent magnetic system, we achieve drastic alterations to the magnetic ground state with extremely small changes in layer thickness.

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

Interaction of pepsin-[C16mim]Br system: interfacial dilational rheology and conformational studies.

PubMed

Huang, Tian; Cao, Chong; Liu, Zi-lin; Li, Yang; Du, Feng-pei

2014-09-21

The interfacial rheological property is closely related to the stabilities of foams and emulsions, yet there have been limited studies on the interaction between proteins with ionic liquid-type imidazolium surfactants at the decane-water interface as well as in the bulk. Herein, we investigated the interfacial and bulk properties of pepsin (PEP) and an ionic liquid (IL), 1-hexadecyl-3-methylimidazolium bromide, [C(16)mim]Br. The interfacial pressure and dilational rheology studies were performed to describe the formation of [C(16)mim]Br-pepsin complexes. The influence of the oscillating frequency and the bulk concentration of [C(16)mim]Br on the dilational properties were explored. The conformational changes were studied by monitoring the fluorescence and far UV-CD spectra. The results reveal that the globular structure of pepsin is one of the decisive factors controlling the nature of the interfacial film. The monotonous increase in the dilational elastic modulus of pepsin-[C(16)mim]Br solutions with the surface age indicates that no loops and tails had formed. Interestingly, with an increase in the concentration of [C(16)mim]Br, the εd-c curve first passes through a plateau value due to steric hindrance and the electrostatic barrier of already absorbed tenacious pepsin-[C(16)mim]Br complexes. With the further addition of [C(16)mim]Br, the remarkable decrease in dilational elastic modulus indicates that the compact structure is destroyed gradually. The results of the fluorescence spectra and far UV-CD spectra confirm that [C(16)mim]Br did not produce perceptible changes in pepsin at the concentrations studied in the dilational experiment. Possible schematic programs of the pepsin-[C(16)mim]Br interaction model at the interface and in bulk phase are proposed.

Do uniform tangential interfacial stresses enhance adhesion?

NASA Astrophysics Data System (ADS)

Menga, Nicola; Carbone, Giuseppe; Dini, Daniele

2018-03-01

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

Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys.

PubMed

Choudhuri, D; Banerjee, R; Srinivasan, S G

2017-01-17

The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β 1 -Mg 3 Nd precipitates, that grow along 〈110〉 Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β 1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces- {112} β1 /{100} Mg and {111} β1 /{110} Mg - that are commensurate with β 1 /hcp-Mg orientation relationship via first principles calculations. We find that β 1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112} β1 /{100} Mg interfaces, and predict that β 1 grows along 〈110〉 Mg on dislocation lines due to the migration of metastable {111} β1 /{110} Mg . Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β 1 -like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces.

Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys

PubMed Central

Choudhuri, D.; Banerjee, R.; Srinivasan, S. G.

2017-01-01

The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β1-Mg3Nd precipitates, that grow along 〈110〉Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces– {112}β1/{100}Mg and {111}β1/{110}Mg– that are commensurate with β1/hcp-Mg orientation relationship via first principles calculations. We find that β1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112}β1/{100}Mg interfaces, and predict that β1 grows along 〈110〉Mg on dislocation lines due to the migration of metastable {111}β1/{110}Mg. Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β1-like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces. PMID:28094302

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 .

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.

Apparent Interfacial Fracture Toughness of Resin/Ceramic Systems

PubMed Central

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

2008-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2014-07-01

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

Interfacial Properties of EXXPRO(TM) and General Purpose Elastomers

NASA Astrophysics Data System (ADS)

Zhang, Y.; Rafailovich, M.; Sokolov, Jon; Qu, S.; Ge, S.; Ngyuen, D.; Li, Z.; Peiffer, D.; Song, L.; Dias, J. A.; McElrath, K. O.

1998-03-01

EXXPRO(Trademark) elastomers are used for tires and many other applications. This elastomer (denoted as BIMS) is a random copolymer of p-methylstyrene (MS) and polyisobutylene (I) with varying degrees of PMS content and bromination (B) on the p-methyl group. BIMS is impermeable to gases, and has good heat, ozone and flex resistance. Very often general purpose elastomers are blended with BIMS. The interfacial width between polybutadiene and BIMS is a sensitive function of the Br level and PMS content. By neutron reflectivity (NR), we studied the dynamics of interface formation as a function of time and temperature for BIMS with varying degrees of PMS and Br. We found that in addition to the bulk parameters, the total film thickness and the proximity of an interactive surface can affect the interfacial interaction rates. The interfacial properties can also be modified by inclusion of particles, such as carbon black (a filler component in tire rubbers). Results will be presented on the relation between the interfacial width as measured by NR and compatibilization studies via AFM and LFM.

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

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

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

2002-12-01

The principal challenge of upscaling techniques for multi-phase fluid dynamics in porous media is to determine which properties on the micro-scale can be used to predict macroscopic flow and spatial distribution of phases at core- and field-scales. The most notable outcome of recent theories is the identification of interfacial areas per volume for multiple phases as a fundamental parameter that determines much of the multi-phase properties of the porous medium. A formal program of experimental research was begun to directly test upscaling theories in fluid flow through porous media by comparing measurements of relative permeability and capillary-saturation with measurements ofmore » interfacial area per volume. During this reporting period, we have shown experimentally that the coherence detection can be performed in a borescope. The measurement of interfacial area per volume (IAV), capillary pressure and saturation in two dimensional micro-models structures has shown the existence of a unique relationship among these hydraulic parameters for different pore geometry. The measurement of interfacial area per volume on a three-dimensional natural sample, i.e., sandstone, is essentially completed for imbibition conditions.« less

Liquid/Liquid Interfacial Synthesis of a Click Nanosheet.

PubMed

Rapakousiou, Amalia; Sakamoto, Ryota; Shiotsuki, Ryo; Matsuoka, Ryota; Nakajima, Ukyo; Pal, Tigmansu; Shimada, Rintaro; Hossain, Amran; Masunaga, Hiroyasu; Horike, Satoshi; Kitagawa, Yasutaka; Sasaki, Sono; Kato, Kenichi; Ozawa, Takeaki; Astruc, Didier; Nishihara, Hiroshi

2017-06-22

A liquid/liquid interfacial synthesis is employed, for the first time, to synthesize a covalent two-dimensional polymer nanosheet. Copper-catalyzed azide-alkyne cycloaddition (CuAAC) between a three-way terminal alkyne and azide at a water/dichloromethane interface generates a 1,2,3-triazole-linked nanosheet. The resultant nanosheet, with a flat and smooth texture, has a maximum domain size of 20 μm and minimum thickness of 5.3 nm. The starting monomers in the organic phase and the copper catalyst in the aqueous phase can only meet at the liquid/liquid interface as a two-dimensional reaction space; this allows them to form the two-dimensional polymer. The robust triazole linkage generated by irreversible covalent-bond formation allows the nanosheet to resist hydrolysis under both acidic and alkaline conditions, and to endure pyrolysis up to more than 300 °C. The coordination ability of the triazolyl group enables the nanosheet to act as a reservoir for metal ions, with an affinity order of Pd 2+ >Au 3+ >Cu 2+ . © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interfacial and emulsifying properties of designed β-strand peptides.

PubMed

Dexter, Annette F

2010-12-07

The structural and surfactant properties of a series of amphipathic β-strand peptides have been studied as a function of pH. Each nine-residue peptide has a framework of hydrophobic proline and phenylalanine amino acid residues, alternating with acidic or basic amino acids to give a sequence closely related to known β-sheet formers. Surface activity, interfacial mechanical properties, electronic circular dichroism (ECD), droplet sizing and zeta potential measurements were used to gain an overview of the peptide behavior as the molecular charge varied from ±4 to 0 with pH. ECD data suggest that the peptides form polyproline-type helices in bulk aqueous solution when highly charged, but may fold to β-hairpins rather than β-sheets when uncharged. In the uncharged state, the peptides adsorb readily at a macroscopic fluid interface to form mechanically strong interfacial films, but tend to give large droplet sizes on emulsification, apparently due to flocculation at a low droplet zeta potential. In contrast, highly charged peptide states gave a low interfacial coverage, but retained good emulsifying activity as judged by droplet size. Best emulsification was generally seen for intermediate charged states of the peptides, possibly representing a compromise between droplet zeta potential and interfacial binding affinity. The emulsifying properties of β-strand peptides have not been previously reported. Understanding the interfacial properties of such peptides is important to their potential development as biosurfactants.

Interfacial reactions of ozone with surfactant protein B in a model lung surfactant system.

PubMed

Kim, Hugh I; Kim, Hyungjun; Shin, Young Shik; Beegle, Luther W; Jang, Seung Soon; Neidholdt, Evan L; Goddard, William A; Heath, James R; Kanik, Isik; Beauchamp, J L

2010-02-24

Oxidative stresses from irritants such as hydrogen peroxide and ozone (O(3)) can cause dysfunction of the pulmonary surfactant (PS) layer in the human lung, resulting in chronic diseases of the respiratory tract. For identification of structural changes of pulmonary surfactant protein B (SP-B) due to the heterogeneous reaction with O(3), field-induced droplet ionization (FIDI) mass spectrometry has been utilized. FIDI is a soft ionization method in which ions are extracted from the surface of microliter-volume droplets. We report structurally specific oxidative changes of SP-B(1-25) (a shortened version of human SP-B) at the air-liquid interface. We also present studies of the interfacial oxidation of SP-B(1-25) in a nonionizable 1-palmitoyl-2-oleoyl-sn-glycerol (POG) surfactant layer as a model PS system, where competitive oxidation of the two components is observed. Our results indicate that the heterogeneous reaction of SP-B(1-25) at the interface is quite different from that in the solution phase. In comparison with the nearly complete homogeneous oxidation of SP-B(1-25), only a subset of the amino acids known to react with ozone are oxidized by direct ozonolysis in the hydrophobic interfacial environment, both with and without the lipid surfactant layer. Combining these experimental observations with the results of molecular dynamics simulations provides an improved understanding of the interfacial structure and chemistry of a model lung surfactant system subjected to oxidative stress.

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.

Particle and surfactant interactions effected polar and dispersive components of interfacial energy in nanocolloids

NASA Astrophysics Data System (ADS)

Harikrishnan, A. R.; Das, Sarit K.; Agnihotri, Prabhat K.; Dhar, Purbarun

2017-08-01

We segregate and report experimentally for the first time the polar and dispersive interfacial energy components of complex nanocolloidal dispersions. In the present study, we introduce a novel inverse protocol for the classical Owens Wendt method to determine the constitutive polar and dispersive elements of surface tension in such multicomponent fluidic systems. The effect of nanoparticles alone and aqueous surfactants alone are studied independently to understand the role of the concentration of the dispersed phase in modulating the constitutive elements of surface energy in fluids. Surfactants are capable of altering the polar component, and the combined particle and surfactant nanodispersions are shown to be effective in modulating the polar and dispersive components of surface tension depending on the relative particle and surfactant concentrations as well as the morphological and electrostatic nature of the dispersed phases. We observe that the combined surfactant and particle colloid exhibits a similar behavior to that of the particle only case; however, the amount of modulation of the polar and dispersive constituents is found to be different from the particle alone case which brings to the forefront the mechanisms through which surfactants modulate interfacial energies in complex fluids. Accordingly, we are able to show that the observations can be merged into a form of quasi-universal trend in the trends of polar and dispersive components in spite of the non-universal character in the wetting behavior of the fluids. We analyze the different factors affecting the polar and dispersive interactions in such complex colloids, and the physics behind such complex interactions has been explained by appealing to the classical dispersion theories by London, Debye, and Keesom as well as by Derjaguin-Landau-Verwey-Overbeek theory. The findings shed light on the nature of wetting behavior of such complex fluids and help in predicting the wettability and the degree of

Energetics of a two-phase model of lithospheric damage, shear localization and plate-boundary formation

NASA Astrophysics Data System (ADS)

Bercovici, David; Ricard, Yanick

2003-03-01

deformational work is effectively stored as surface energy. In the high-stress, distributed-damage cases, heat output is reduced as more interfacial surface energy is created. Yet, in either the weak or strong localizing cases, the system always releases surface energy, regardless of the presence of damage or not, and thus slightly more heat is in fact released than energy is input through external work. Moreover, increased levels of damage (represented by the maximum work-partitioning f*) make the localizing system release surface energy faster as damage enhances phase separation and focusing of the porosity field, thus yielding more rapid loss of net interfacial surface area. However, when cases with different levels of damage are compared at similar stages of development (say, the peak porosity of the localization) it is apparent that increased damage causes smaller relative heat release and retards loss of net interfacial surface energy. The energetics and energy partitioning of this damage and shear-localization model are applied to estimating the energy costs of forming plate boundaries and generating plates from mantle convection.

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

PubMed

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

2010-02-10

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

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

Solid/liquid interfacial free energies in binary systems

NASA Technical Reports Server (NTRS)

Nason, D.; Tiller, W. A.

1973-01-01

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

Microstructural characteristics of σ phase and P phase in Ru-containing single crystal superalloys

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

Huo, Jiajie, E-mail: jiajiehuo0618@163.com

Microstructural instability caused by topologically close-packed (TCP) phase precipitation restricts the useful compositional range of advanced Ni-base single crystal superalloys in industrial applications. Limited systematic investigations of TCP formers (Cr and Mo) additions on microstructural evolution of both the σ phase and the P phase in Ru-containing single crystal superalloys have been reported. In this study, the microstructural characteristics of σ phase and P phase were investigated in three Ru-containing superalloys with different levels of Cr and Mo additions at 950 °C and 1100 °C by using phase extraction, X-ray diffraction, scanning electron microscope and high resolution transmission electron microscopy.more » The experimental results indicated that the high level additions of Cr and Mo promoted the formation of σ phase and P phase, respectively. The amount of σ phase was much higher than that of P phase after long term exposure at 950 °C and 1100 °C. The sheet-like σ phase existed in the alloy with higher Cr addition after thermal exposure at 950 °C and 1100 °C for 1000 h, while the needle-like P phase precipitated in high Mo content alloy after thermal exposure at 1100 °C for 1000 h and the intergrowth of σ phase and P phase was observed after thermal exposure at 950 °C for 500 h. Both the σ phase and P phase were enriched in Re, W, Cr and Mo, but the σ phase contained more Re and Cr while the P phase contained more Mo and Ni, and Ru was found in both phases. The nucleation of σ phase was much easier than P phase due to the more ledge steps in the interfacial structure between σ phase and matrix, as well as the higher partitioning ratios of Re, Cr and Mo. This study is helpful to understand the microstructural evolution of σ phase and P phase, and to optimize the alloy design in Ru-containing superalloys. - Highlights: •Microstructures of σ phase and P phase were characterized in detail. •Cr and Mo influenced the

Two-Dimensional Layered Oxide Structures Tailored by Self-Assembled Layer Stacking via Interfacial Strain.

PubMed

Zhang, Wenrui; Li, Mingtao; Chen, Aiping; Li, Leigang; Zhu, Yuanyuan; Xia, Zhenhai; Lu, Ping; Boullay, Philippe; Wu, Lijun; Zhu, Yimei; MacManus-Driscoll, Judith L; Jia, Quanxi; Zhou, Honghui; Narayan, Jagdish; Zhang, Xinghang; Wang, Haiyan

2016-07-06

Study of layered complex oxides emerge as one of leading topics in fundamental materials science because of the strong interplay among intrinsic charge, spin, orbital, and lattice. As a fundamental basis of heteroepitaxial thin film growth, interfacial strain can be used to design materials that exhibit new phenomena beyond their conventional forms. Here, we report a strain-driven self-assembly of bismuth-based supercell (SC) with a two-dimensional (2D) layered structure. With combined experimental analysis and first-principles calculations, we investigated the full SC structure and elucidated the fundamental growth mechanism achieved by the strain-enabled self-assembled atomic layer stacking. The unique SC structure exhibits room-temperature ferroelectricity, enhanced magnetic responses, and a distinct optical bandgap from the conventional double perovskite structure. This study reveals the important role of interfacial strain modulation and atomic rearrangement in self-assembling a layered singe-phase multiferroic thin film, which opens up a promising avenue in the search for and design of novel 2D layered complex oxides with enormous promise.

Impact of Interfacial Layers in Perovskite Solar Cells.

PubMed

Cho, An-Na; Park, Nam-Gyu

2017-10-09

Perovskite solar cells (PCSs) are composed of organic-inorganic lead halide perovskite as the light harvester. Since the first report on a long-term-durable, 9.7 % efficient, solid-state perovskite solar cell, organic-inorganic halide perovskites have received considerable attention because of their excellent optoelectronic properties. As a result, a power conversion efficiency (PCE) exceeding 22 % was certified. Controlling the grain size, grain boundary, morphology, and defects of the perovskite layer is important for achieving high efficiency. In addition, interfacial engineering is equally or more important to further improve the PCE through better charge collection and a reduction in charge recombination. In this Review, the type of interfacial layers and their impact on photovoltaic performance are investigated for both the normal and the inverted cell architectures. Four different interfaces of fluorine-doped tin oxide (FTO)/electron-transport layer (ETL), ETL/perovskite, perovskite/hole-transport layer (HTL), and HTL/metal are classified, and their roles are investigated. The effects of interfacial engineering with organic or inorganic materials on photovoltaic performance are described in detail. Grain-boundary engineering is also included because it is related to interfacial engineering and the grain boundary in the perovskite layer plays an important role in charge conduction, recombination, and chargecarrier life time. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Liquid metal actuation by electrical control of interfacial tension

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

Eaker, Collin B.; Dickey, Michael D., E-mail: michael-dickey@ncsu.edu

2016-09-15

By combining metallic electrical conductivity with low viscosity, liquid metals and liquid metal alloys offer new and exciting opportunities to serve as reconfigurable components of electronic, microfluidic, and electromagnetic devices. Here, we review the physics and applications of techniques that utilize voltage to manipulate the interfacial tension of liquid metals; such techniques include electrocapillarity, continuous electrowetting, electrowetting-on-dielectric, and electrochemistry. These techniques lower the interfacial tension between liquid metals and a surrounding electrolyte by driving charged species (or in the case of electrochemistry, chemical species) to the interface. The techniques are useful for manipulating and actuating liquid metals at sub-mm lengthmore » scales where interfacial forces dominate. We focus on metals and alloys that are liquid near or below room temperature (mercury, gallium, and gallium-based alloys). The review includes discussion of mercury—despite its toxicity—because it has been utilized in numerous applications and it offers a way of introducing several phenomena without the complications associated with the oxide layer that forms on gallium and its alloys. The review focuses on the advantages, applications, opportunities, challenges, and limitations of utilizing voltage to control interfacial tension as a method to manipulate liquid metals.« less

Phase-referenced nonlinear spectroscopy of the α-quartz/water interface

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

Ohno, Paul E.; Saslow, Sarah A.; Wang, Hong-fei

2016-12-13

Probing the polarization of water molecules at charged interfaces by second harmonic generation spectroscopy has been heretofore limited to isotropic materials. Here we report non-resonant nonlinear optical measurements at the interface of anisotropic z-cut α-quartz and water under conditions of dynamically changing ionic strength and bulk solution pH. We find that the product of the third-order susceptibility and the interfacial potential, χ (3) × Φ(0), is given by (χ1 (3)–iχ2 (3)) × Φ(0), and that the interference between this product and the second-order susceptibility of bulk quartz depends on the rotation angle of α-quartz around the z axis. Our experimentsmore » show that this newly identified term, iχ (3) × Φ(0), which is out of phase from the surface terms, is of bulk origin. Lastly, the possibility of internally phase referencing the interfacial response for the interfacial orientation analysis of species or materials in contact with α-quartz is discussed along with the implications for conditions of resonance enhancement.« less

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.

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

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

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

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

2016-04-19

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

Multiple patterns of polymer gels in microspheres due to the interplay among phase separation, wetting, and gelation.

PubMed

Yanagisawa, Miho; Nigorikawa, Shinpei; Sakaue, Takahiro; Fujiwara, Kei; Tokita, Masayuki

2014-11-11

We report the spontaneous patterning of polymer microgels by confining a polymer blend within microspheres. A poly(ethylene glycol) (PEG) and gelatin solution was confined inside water-in-oil (W/O) microdroplets coated with a layer of zwitterionic lipids: dioleoylphosphatidylethanolamine (PE) and dioleoylphosphatidylcholine (PC). The droplet confinement affected the kinetics of the phase separation, wetting, and gelation after a temperature quench, which determined the final microgel pattern. The gelatin-rich phase completely wetted to the PE membrane and formed a hollow microcapsule as a stable state in the PE droplets. Gelation during phase separation varied the relation between the droplet size and thickness of the capsule wall. In the case of the PC droplets, phase separation was completed only for the smaller droplets, wherein the microgel partially wetted the PC membrane and had a hemisphere shape. In addition, the temperature decrease below the gelation point increased the interfacial tension between the PEG/gelatin phases and triggered a dewetting transition. Interestingly, the accompanying shape deformation to minimize the interfacial area was only observed for the smaller PC droplets. The critical size decreased as the gelatin concentration increased, indicating the role of the gel elasticity as an inhibitor of the deformation. Furthermore, variously patterned microgels with spherically asymmetric shapes, such as discs and stars, were produced as kinetically trapped states by regulating the incubation time, polymer composition, and droplet size. These findings demonstrate a way to regulate the complex shapes of microgels using the interplay among phase separation, wetting, and gelation of confined polymer blends in microdroplets.

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

PubMed

Doneux, Th; Dorcák, V; Palecek, E

2010-01-19

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

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

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

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

2014-11-15

Lead free solders currently in use are prone to develop thick interfacial intermetallic compound layers with rough morphology which are detrimental to the long term solder joint reliability. A novel method has been developed to control the morphology and growth of intermetallic compound layers between lead-free Sn–3.0Ag–0.5Cu solder ball and copper substrate by doping a water soluble flux with metallic nanoparticles. Four types of metallic nanoparticles (nickel, cobalt, molybdenum and titanium) were used to investigate their effects on the wetting behavior and interfacial microstructural evaluations after reflow. Nanoparticles were dispersed manually with a water soluble flux and the resulting nanoparticlemore » doped flux was placed on copper substrate. Lead-free Sn–3.0Ag–0.5Cu solder balls of diameter 0.45 mm were placed on top of the flux and were reflowed at a peak temperature of 240 °C for 45 s. Angle of contact, wetting area and interfacial microstructure were studied by optical microscopy, field emission scanning electron microscopy and energy-dispersive X-ray spectroscopy. It was observed that the angle of contact increased and wetting area decreased with the addition of cobalt, molybdenum and titanium nanoparticles to flux. On the other hand, wettability improved with the addition of nickel nanoparticles. Cross-sectional micrographs revealed that both nickel and cobalt nanoparticle doping transformed the morphology of Cu{sub 6}Sn{sub 5} from a typical scallop type to a planer one and reduced the intermetallic compound thickness under optimum condition. These effects were suggested to be related to in-situ interfacial alloying at the interface during reflow. The minimum amount of nanoparticles required to produce the planer morphology was found to be 0.1 wt.% for both nickel and cobalt. Molybdenum and titanium nanoparticles neither appear to undergo alloying during reflow nor have any influence at the solder/substrate interfacial reaction. Thus

Interfacial Healing and Transport Phenomena Modeling ff Biopolymers

NASA Astrophysics Data System (ADS)

Lebron, Karla

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

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

Interfacial engineering of solution-processed Ni nanochain-SiO x (x< 2) cermets towards thermodynamically stable, anti-oxidation solar selective absorbers

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

Yu, Xiaobai; Wang, Xiaoxin; Zhang, Qinglin

Here, cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO x cermet system compared to conventional Ni-Al 2O 3 system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in thismore » paper, we demonstrate that pre-operation annealing of Ni nanochain-SiO x cermets at 900 °C in N 2 forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO x interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N 2 (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO x interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO x saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any interfacial changes due to the localized surface plasmon

Interfacial engineering of solution-processed Ni nanochain-SiO x (x< 2) cermets towards thermodynamically stable, anti-oxidation solar selective absorbers

DOE PAGES

Yu, Xiaobai; Wang, Xiaoxin; Zhang, Qinglin; ...

2016-04-01

Here, cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO x cermet system compared to conventional Ni-Al 2O 3 system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in thismore » paper, we demonstrate that pre-operation annealing of Ni nanochain-SiO x cermets at 900 °C in N 2 forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO x interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N 2 (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO x interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO x saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any interfacial changes due to the localized surface plasmon

Effect of Heat-Treatment Temperature on the Interfacial Reaction Between Oxide Inclusions and Si-Mn Killed Steel

NASA Astrophysics Data System (ADS)

Zhang, Xueliang; Yang, Shufeng; Liu, Chengsong; Li, Jingshe; Hao, Weixing

2018-06-01

The effect of heat-treatment temperature on the interfacial reaction between MnO-SiO2-FeO oxide and Fe-Mn-Si alloy was investigated by the diffusion couple method in the temperature range of 1173-1573 K. The reaction at the interface between the alloy and oxide was not obvious during treatment at 1173 K, but, with increasing heat-treatment temperature, the interfacial reaction was strengthened and the proportion of the MnO·SiO2 phase in the oxide increased. The width of the particle-precipitation zone in the alloy increased with increasing temperature from 1173 K to 1473 K but decreased at 1573 K owing to coarsening of the precipitated particles. In addition, Mn2+ and Si4+ in the oxide significantly diffused into the alloy at 1573 K, resulting in an obvious increase of the Mn and Si contents in the alloy near the interface.

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

NASA Technical Reports Server (NTRS)

Haskins, Justin B.; Lawson, John W.

2016-01-01

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

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

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

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

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

PubMed

Adelmann, S; Schembecker, G

2011-08-12

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

Insights into the interfacial strengthening mechanisms of calcium-silicate-hydrate/polymer nanocomposites.

PubMed

Zhou, Yang; Hou, Dongshuai; Geng, Guoqing; Feng, Pan; Yu, Jiao; Jiang, Jinyang

2018-03-28

The mechanical properties of organic/inorganic composites can be highly dependent on the interfacial interactions. In this work, with organic polymers intercalated into the interlayer of inorganic calcium silicate hydrate (C-S-H), the primary binding phase of Portland cement, great ductility improvement is obtained for the nanocomposites. Employing reactive molecular dynamics, the simulation results indicate that strong interfacial interactions between the polymers and the substrate contribute greatly to strengthening the materials, when C-S-H/poly ethylene glycol (PEG), C-S-H/poly acrylic acid (PAA), and C-S-H/poly vinyl alcohol (PVA) were subject to uniaxial tension along different lattice directions. In the x and z direction tensile processes, the Si-OCa bonds of the C-S-H gel, which were elongated and broken to form Si-OH and Ca-OH, play a critical role in loading resistance, while the incorporation of polymers bridged the neighboring silicate sheets, and activated more the hydrolytic reactions at the interfaces to avoid strain localization, thus increasing the tensile strength and postponing the fracture. On the other hand, Si-O-Si bonds of C-S-H mainly take the load when tension was applied along the y direction. During the post-yield stage, rearrangements of silicate tetrahedra occurred to prevent rapid damage. The polymer intercalation further elongates this post-yield period by forming interfacial Si-O-C bonds, which promote rearrangements and improve the connectivity of the defective silicate morphology, significantly improving the ductility. Among the polymers, PEG exhibits the strongest interaction with C-S-H, and thus C-S-H/PEG possesses the highest ductility. We expect that the molecular-scale mechanisms interpreted here will shed new light on the stress-activated chemical interactions at the organic/inorganic interfaces, and help eliminate the brittleness of cement-based materials on a genetic level.

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

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

JiangTao Cheng; Ping Yu; William Headley

2001-12-01

The principal challenge of upscaling techniques for multi-phase fluid dynamics in porous media is to determine which properties on the micro-scale can be used to predict macroscopic flow and spatial distribution of phases at core- and field-scales. The most notable outcome of recent theories is the identification of interfacial areas per volume for multiple phases as a fundamental parameter that determines much of the multi-phase properties of the porous medium. A formal program of experimental research was begun to directly test upscaling theories in fluid flow through porous media by comparing measurements of relative permeability and capillary-saturation with measurements ofmore » interfacial area per volume. During this reporting period, we have shown experimentally and theoretically that the optical coherence imaging system is optimized for sandstone. The measurement of interfacial area per volume (IAV), capillary pressure and saturation in two dimensional micro-models structures that are statistically similar to real porous media has shown the existence of a unique relationship among these hydraulic parameters. The measurement of interfacial area per volume on a three-dimensional natural sample, i.e., sandstone, has the same length-scale as the values of IAV determined for the two-dimensional micro-models.« less

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

NASA Astrophysics Data System (ADS)

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

2014-03-01

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

Interfacial waves generated by electrowetting-driven contact line motion

NASA Astrophysics Data System (ADS)

Ha, Jonghyun; Park, Jaebum; Kim, Yunhee; Shin, Bongsu; Bae, Jungmok; Kim, Ho-Young

2016-10-01

The contact angle of a liquid-fluid interface can be effectively modulated by the electrowetting-on-dielectric (EWOD) technology. Rapid movement of the contact line can be achieved by swift changes of voltage at the electrodes, which can give rise to interfacial waves under the strong influence of surface tension. Here we experimentally demonstrate EWOD-driven interfacial waves of overlapping liquids and compare their wavelength and decay length with the theoretical results obtained by a perturbation analysis. Our theory also allows us to predict the temporal evolution of the interfacial profiles in either rectangular or cylindrical containers, as driven by slipping contact lines. This work builds a theoretical framework to understand and predict the dynamics of capillary waves of a liquid-liquid interface driven by EWOD, which has practical implications on optofluidic devices used to guide light.

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

PubMed

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

2013-11-01

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

Mixed system of Eudragit s-100 with a designed amphipathic peptide: control of interfacial elasticity by solution composition.

PubMed

Dexter, Annette F; Malcolm, Andrew S; Zeng, Biyun; Kennedy, Debora; Middelberg, Anton P J

2008-04-01

We report an interfacially active system based on an informational peptide surfactant mixed with an oppositely charged polyelectrolyte. The 21-residue cationic peptide, AM1, has previously been shown to respond reversibly to pH and metal ions at fluid interfaces, forming elastic films that can be rapidly switched to collapse foams or emulsions on demand. Here we report the reversible association of AM1 with the methacrylate-based anionic polymer Eudragit S-100. The strength of the association, in bulk aqueous solution, is modulated by added metal ions and by ionic strength. Addition of zinc ions to the peptide-polymer system promotes complex formation and phase separation, while addition of a chelating agent reverses the association. The addition of salt weakens peptide-polymer interactions in the presence or absence of zinc. At the air-water interface, Eudragit S-100 forms an elastic mixed film with AM1 in the absence of metal, under conditions where the peptide alone does not show interfacial elasticity. When zinc is present, the elasticity of the mixed film is increased, but the rate of interfacial adsorption slows due to formation of peptide-polymer complexes in bulk solution. An understanding of these interactions can be used to identify favorable foam-forming conditions in the mixed system.

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

PubMed

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

2012-12-12

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

Towards the synthesis of hydroxyapatite/protein scaffolds with controlled porosities: bulk and interfacial shear rheology of a hydroxyapatite suspension with protein additives.

PubMed

Maas, Michael; Bodnar, Pedro Marcus; Hess, Ulrike; Treccani, Laura; Rezwan, Kurosch

2013-10-01

The synthesis of porous hydroxyapatite scaffolds is essential for biomedical applications such as bone tissue engineering and replacement. One way to induce macroporosity, which is needed to support bone in-growth, is to use protein additives as foaming agents. Another reason to use protein additives is the potential to introduce a specific biofunctionality to the synthesized scaffolds. In this work, we study the rheological properties of a hydroxyapatite suspension system with additions of the proteins bovine serum albumin (BSA), lysozyme (LSZ) and fibrinogen (FIB). Both the rheology of the bulk phase as well as the interfacial shear rheology are studied. The bulk rheological data provides important information on the setting behavior of the thixotropic suspension, which we find to be faster with the addition of FIB and LSZ and much slower with BSA. Foam bubble stabilization mechanisms can be rationalized via interfacial shear rheology and we show that it depends on the growth of interfacial films at the suspension/air interface. These interfacial films support the stabilization of bubbles within the ceramic matrix and thereby introduce macropores. Due to the weak interaction of the protein molecules with the hydroxyapatite particles of the suspension, we find that BSA forms the most stable interfacial films, followed by FIB. LSZ strongly interacts with the hydroxyapatite particles and thus only forms thin films with very low elastic moduli. In summary, our study provides fundamental rheological insights which are essential for tailoring hydroxyapatite/protein suspensions in order to synthesize scaffolds with controlled porosities. Copyright © 2013 Elsevier Inc. All rights reserved.

Rigorous derivation of porous-media phase-field equations

NASA Astrophysics Data System (ADS)

Schmuck, Markus; Kalliadasis, Serafim

2017-11-01

The evolution of interfaces in Complex heterogeneous Multiphase Systems (CheMSs) plays a fundamental role in a wide range of scientific fields such as thermodynamic modelling of phase transitions, materials science, or as a computational tool for interfacial flow studies or material design. Here, we focus on phase-field equations in CheMSs such as porous media. To the best of our knowledge, we present the first rigorous derivation of error estimates for fourth order, upscaled, and nonlinear evolution equations. For CheMs with heterogeneity ɛ, we obtain the convergence rate ɛ 1 / 4 , which governs the error between the solution of the new upscaled formulation and the solution of the microscopic phase-field problem. This error behaviour has recently been validated computationally in. Due to the wide range of application of phase-field equations, we expect this upscaled formulation to allow for new modelling, analytic, and computational perspectives for interfacial transport and phase transformations in CheMSs. This work was supported by EPSRC, UK, through Grant Nos. EP/H034587/1, EP/L027186/1, EP/L025159/1, EP/L020564/1, EP/K008595/1, and EP/P011713/1 and from ERC via Advanced Grant No. 247031.

String-like collective motion and diffusion in the interfacial region of ice

NASA Astrophysics Data System (ADS)

Wang, Xinyi; Tong, Xuhang; Zhang, Hao; Douglas, Jack F.

2017-11-01

We investigate collective molecular motion and the self-diffusion coefficient Ds of water molecules in the mobile interfacial layer of the secondary prismatic plane (11 2 ¯ 0 ) of hexagonal ice by molecular dynamics simulation based on the TIP4P/2005 water potential and a metrology of collective motion drawn from the field of glass-forming liquids. The width ξ of the mobile interfacial layer varies from a monolayer to a few nm as the temperature is increased towards the melting temperature Tm, in accordance with recent simulations and many experimental studies, although different experimental methods have differed in their precise estimates of the thickness of this layer. We also find that the dynamics within this mobile interfacial ice layer is "dynamically heterogeneous" in a fashion that has many features in common with glass-forming liquids and the interfacial dynamics of crystalline Ni over the same reduced temperature range, 2/3 < T/Tm < 1. In addition to exhibiting non-Gaussian diffusive transport, decoupling between mass diffusion and the structural relaxation time, and stretched exponential relaxation, we find string-like collective molecular exchange motion in the interfacial zone within the ice interfacial layer and colored noise fluctuations in the mean square molecular atomic displacement 〈u2〉 after a "caging time" of 1 ps, i.e., the Debye-Waller factor. However, while the heterogeneous dynamics of ice is clearly similar in many ways to molecular and colloidal glass-forming materials, we find distinct trends between the diffusion coefficient activation energy Ea for diffusion Ds and the interfacial width ξ from the scale of collective string-like motion L than those found in glass-forming liquids.

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

NASA Astrophysics Data System (ADS)

Tůma, K.; Stupkiewicz, S.; Petryk, H.

2016-10-01

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

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

PubMed

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

2018-05-30

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

Electric Field Induced Interfacial Instabilities

NASA Technical Reports Server (NTRS)

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

1996-01-01

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

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

PubMed

Kam, Chee Zhou; Kueh, Ahmad Beng Hong

2013-01-01

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

Proline-based chiral stationary phases: a molecular dynamics study of the interfacial structure.

PubMed

Ashtari, M; Cann, N M

2011-09-16

Proline chains have generated considerable interest as a possible basis for new selectors in chiral chromatography. In this article, we employ molecular dynamics simulations to examine the interfacial structure of two diproline chiral selectors, one with a terminal trimethylacetyl group and one with a terminal t-butyl carbamate group. The solvents consist of a relatively apolar n-hexane/2-propanol and a polar water/methanol mixture. We begin with electronic structure calculations for the two chiral selectors to assess the energetics of conformational changes, particularly along the backbone where the amide bonds can alternate between cis and trans conformations. Force fields have been developed for the two selectors, based on these ab initio calculations. Molecular dynamics simulations of the selective interfaces are performed to examine the preferred backbone conformations, as a function of end-group and solvent. The full chiral surface includes the diproline selectors, trimethylsilyl end-caps, and silanol groups. Connection is made with selectivity measurements on these interfaces, where significant differences are observed between these two very similar selectors. Copyright © 2011 Elsevier B.V. All rights reserved.

Quantitatively identifying the roles of interfacial water and solid surface in governing peptide adsorption.

PubMed

Xu, Zhijun; Yang, Xiao; Wei, Qichao; Zhao, Weilong; Cui, Beiliang; Yang, Xiaoning; Sahai, Nita

2018-06-11

Understanding the molecular mechanism of protein adsorption on solids is critical to their applications in materials synthesis and tissue engineering. Though the water phase at the surface/water interface has been recognized as three types: free water in the bulk region, intermediate water phase and surface-bound water layers adjacent to the surface, the roles of the water and surface in determining the protein adsorption are not clearly identified, particularly at the quantitative level. Herein, we provide a methodology involving the combination of microsecond strengthen sampling simulation and force integration to quantitatively characterize the water-induced contribution and the peptide-surface interactions into the adsorption free energy. Using hydroxyapatite and graphene surfaces as examples, we demonstrate how the distinct interfacial features dominate the delicate force balance between these two thermodynamics parameters, leading to surface preference/resistance to peptide adsorption. Specifically, the water layer provides sustained repelling force against peptide adsorption, as indicated by a monotonic increase in the water-induced free energy profile, whereas the contribution to the free energy from the surface effect is thermodynamically favorable, thus acting as the dominant driving force for peptide adsorptions. More importantly, the revealed adsorption mechanism is critically dictated by the distribution of water phase at the solid/water interface, which plays a crucial role in establishing the force balance between the interactions of the peptide with the water layer and the surface. For the HAP surface, the charged peptide exhibits strong binding affinity to the surface, which is ascribed to the controlling contribution of peptide-surface interaction in the intermediate water phase and the surface-bound water layers are observed as the origin of bioresistance of solid surfaces towards the adsorption of charge-neutral peptides. The preferred peptide

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.

Iridium Interfacial Stack (IRIS)

NASA Technical Reports Server (NTRS)

Spry, David James (Inventor)

2015-01-01

An iridium interfacial stack ("IrIS") and a method for producing the same are provided. The IrIS may include ordered layers of TaSi.sub.2, platinum, iridium, and platinum, and may be placed on top of a titanium layer and a silicon carbide layer. The IrIS may prevent, reduce, or mitigate against diffusion of elements such as oxygen, platinum, and gold through at least some of its layers.

The magnetotelluric phase tensor analysis of the Sembalun-Propok area, West Nusa Tenggara, Indonesia

NASA Astrophysics Data System (ADS)

Febriani, F.; Widarto, D. S.; Gaffar, E.; Nasution, A.; Grandis, H.

2017-04-01

The subsurface structure of the Sembalun-Propok area, NTB, Indonesia, has been investigated using magnetotelluric method (MT). To obtain the information of the dimensionality of the regional structure and determine the regional strike of the study area, the phase tensor analysis has been performed in this study. The results show that most of the skew angle values (β) are distributed within ± 5°. It indicates that the regional structure of the study area can be assumed as two dimensional. In addition, to determine the regional strike of the study area, we also calculated the major axes of the phase tensor. The result presents that the regional strike of the study area is about N330°E. According to the results of the phase tensor analysis, we rotated the impedance tensor to N330°E and performed 2-D inversion modeling. The result presents that the substructure model suits with the geological background of the study area.

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.

Interfacial Engineering and Charge Carrier Dynamics in Extremely Thin Absorber Solar Cells

NASA Astrophysics Data System (ADS)

Edley, Michael

Photovoltaic energy is a clean and renewable source of electricity; however, it faces resistance to widespread use due to cost. Nanostructuring decouples constraints related to light absorption and charge separation, potentially reducing cost by allowing a wider variety of processing techniques and materials to be used. However, the large interfacial areas also cause an increased dark current which negatively affects cell efficiency. This work focuses on extremely thin absorber (ETA) solar cells that used a ZnO nanowire array as a scaffold for an extremely thin CdSe absorber layer. Photoexcited electrons generated in the CdSe absorber are transferred to the ZnO layer, while photogenerated holes are transferred to the liquid electrolyte. The transfer of photoexcited carriers to their transport layer competes with bulk recombination in the absorber layer. After charge separation, transport of charge carriers to their respective contacts must occur faster than interfacial recombination for efficient collection. Charge separation and collection depend sensitively on the dimensions of the materials as well as their interfaces. We demonstrated that an optimal absorber thickness can balance light absorption and charge separation. By treating the ZnO/CdSe interface with a CdS buffer layer, we were able to improve the Voc and fill factor, increasing the ETA cell's efficiency from 0.53% to 1.34%, which is higher than that achievable using planar films of the same material. We have gained additional insight into designing ETA cells through the use of dynamic measurements. Ultrafast transient absorption spectroscopy revealed that characteristic times for electron injection from CdSe to ZnO are less than 1 ps. Electron injection is rapid compared to the 2 ns bulk lifetime in CdSe. Optoelectronic measurements such as transient photocurrent/photovoltage and electrochemical impedance spectroscopy were applied to study the processes of charge transport and interfacial recombination

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.

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.

The ensemble switch method for computing interfacial tensions

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

Schmitz, Fabian; Virnau, Peter

2015-04-14

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

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.

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.

Interfacial free energy and stiffness of aluminum during rapid solidification

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

Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculationmore » of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.« less

Interfacial free energy and stiffness of aluminum during rapid solidification

DOE PAGES

Brown, Nicholas T.; Martinez, Enrique; Qu, Jianmin

2017-05-01

Using molecular dynamics simulations and the capillary fluctuation method, we have calculated the anisotropic crystal-melt interfacial free energy and stiffness of aluminum in a rapid solidification system where a temperature gradient is applied to enforce thermal non-equilibrium. To calculate these material properties, the standard capillary fluctuation method typically used for systems in equilibrium has been modified to incorporate a second-order Taylor expansion of the interfacial free energy term. The result is a robust method for calculating interfacial energy, stiffness and anisotropy as a function of temperature gradient using the fluctuations in the defined interface height. This work includes the calculationmore » of interface characteristics for temperature gradients ranging from 11 to 34 K/nm. The captured results are compared to a thermal equilibrium case using the same model and simulation technique with a zero gradient definition. We define the temperature gradient as the change in temperature over height perpendicular to the crystal-melt interface. The gradients are applied in MD simulations using defined thermostat regions on a stable solid-liquid interface initially in thermal equilibrium. The results of this work show that the interfacial stiffness and free energy for aluminum are dependent on the magnitude of the temperature gradient, however the anisotropic parameters remain independent of the non-equilibrium conditions applied in this analysis. As a result, the relationships of the interfacial free energy/stiffness are determined to be linearly related to the thermal gradient, and can be interpolated to find material characteristics at additional temperature gradients.« less

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

PubMed

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

2014-01-29

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

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

NASA Technical Reports Server (NTRS)

Karimi, Amir

1991-01-01

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

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.

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.

An acoustic emission study on interfacial debonding in composite restorations.

PubMed

Liu, Xiaozhou; Li, Haiyan; Li, Jianying; Lu, Peijun; Fok, Alex Siu-Lun

2011-09-01

This paper studied in vitro the effect of the C-factor on interfacial debonding during curing of composite restorations using the acoustic emission (AE) technique. Finite element (FE) analyzes were also carried out to evaluate the interfacial stresses caused by shrinkage of the composite resin in restorations with different C-factors. Twenty extracted third molars were divided into 4 groups of 5. They were cut to form Class-I (Groups 1 and 2) and Class-II (Groups 3 and 4) cavities with different C-factors. The average C-factors of the four groups were 3.37, 2.88, 2.00, and 1.79, respectively. The cavities were then applied with an adhesive and restored with a composite, which was cured by a halogen light for 40 s. A 2-channel AE system was used to monitor the interfacial debonding, caused by shrinkage stress, between the tooth and restoration through an AE sensor attached to the surface of the specimen. Recording of the AE started at the same time as curing of the composite and lasted 10 min. Simplified FE models were used to evaluate the interfacial stresses in restorations with different C-factors, with a thermal load (temperature decrease) being applied to the composite resin to simulate its shrinkage. The mean and standard deviation of the total number of AE events for the four groups were 29.6±15.7, 10.0±5.8, 2.6±1.5, and 2.2±1.3, i.e. the number of AE events increased with an increase in the C-factor. The FE results also showed that, the higher the C-factor of the restoration, the higher the interfacial tensile stress between the tooth and restoration. From the results of the AE tests and FE simulations, it can be concluded that, the higher the C-factor, the higher the shrinkage stress and the more likely is interfacial debonding. Copyright © 2011 Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Emergent Interfacial Ferromagnetism in CaMnO3-based Superlattices

NASA Astrophysics Data System (ADS)

Grutter, Alexander

2014-03-01

Interfaces of complex oxide materials provide a rich playground not only for the exploration of properties not found in the bulk constituents but also for the development of functional interfaces to be incorporated in spintronic applications. Emergent interfacial magnetic phenomena have been of great interest but surprisingly there have been few examples of emergent interfacial ferromagnetism. In this talk, I will describe our recent work on the stabilization of ferromagnetism in CaMnO3-based superlattices. We have demonstrated ferromagnetism at the interface between the antiferromagnetic insulator CaMnO3 and a paramagnetic metallic layer, including CaRuO3 and LaNiO3. Theoretically the ferromagnetism has been attributed to an interfacial double exchange interaction among the interfacial Mn ions that is mediated by itinerant electrons from the paramagnetic metallic layer. Through polarized neutron reflectivity and observation of exchange bias, we have demonstrated that the ferromagnetism comes from Mn ions in a single unit cell at the interfaces just as theory has predicted. We have also demonstrated that the metallicity of the paramagnetic layer is critical in stabilizing ferromagnetism at the interface and that the interfacial ferromagnetism can be suppressed by suppressing the metallicity of the paramagnetic layer. Despite the agreement with theory, there remain open questions as to the magnetic interactions among the interfacial ferromagnetic layers. For example, the saturated magnetic moment modulates as a function of the thickness of both the CaMnO3 and paramagnetic metal layers. The origins of this oscillation are not well understood and may stem from either structural effects or long-range oscillatory magnetic coupling interactions reminiscent of RKKY interactions. Evidence of the doubling of the unit cell and long range antiferromagnetic correlations support these speculations. This work was supported by the U.S. Department of Energy, Office of Science

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...

Characterization of linear interfacial waves in a turbulent gas-liquid pipe flow

NASA Astrophysics Data System (ADS)

Ayati, A. A.; Farias, P. S. C.; Azevedo, L. F. A.; de Paula, I. B.

2017-06-01

The evolution of interfacial waves on a stratified flow was investigated experimentally for air-water flow in a horizontal pipe. Waves were introduced in the liquid level of stratified flow near the pipe entrance using an oscillating plate. The mean height of liquid layer and the fluctuations superimposed on this mean level were captured using high speed cameras. Digital image processing techniques were used to detect instantaneous interfaces along the pipe. The driving signal of the oscillating plate was controlled by a D/A board that was synchronized with acquisitions. This enabled to perform phase-locked acquisitions and to use ensemble average procedures. Thereby, it was possible to measure the temporal and spatial evolution of the disturbances introduced in the flow. In addition, phase-locked measurements of the velocity field in the liquid layer were performed using standard planar Particle Image Velocimetry (PIV). The velocity fields were extracted at a fixed streamwise location, whereas the measurements of the liquid level were performed at several locations along the pipe. The assessment of the setup was important for validation of the methodology proposed in this work, since it aimed at providing results for further comparisons with theoretical models and numerical simulations. Therefore, the work focuses on validation and characterization of interfacial waves within the linear regime. Results show that under controlled conditions, the wave development can be well captured and reproduced. In addition, linear waves were observed for liquid level oscillations lower than about 1.5% of the pipe diameter. It was not possible to accurately define an amplitude threshold for the appearance of nonlinear effects because it strongly depended on the wave frequency. According to the experimental findings, longer waves display characteristics similar to linear waves, while short ones exhibit a more complex evolution, even for low amplitudes.

Sinusoidal Forcing of Interfacial Films

NASA Astrophysics Data System (ADS)

Rasheed, Fayaz; Raghunandan, Aditya; Hirsa, Amir; Lopez, Juan

2015-11-01

Fluid transport, in vivo, is accomplished via pumping mechanisms of the heart and lungs, which results in biological fluids being subjected to oscillatory shear. Flow is known to influence biological macromolecules, but predicting the effect of shear is incomplete without also accounting for the influence of complex interfaces ubiquitous throughout the body. Here, we investigated the oscillatory response of the structure of aqueous interfacial films using a cylindrical knife edge viscometer. Vitamin K1 was used as a model monolayer because its behaviour has been thoroughly quantified and it doesn't show any measurable hysteresis. The monolayer was subjected to sinusoidal forcing under varied conditions of surface concentrations, periodic frequencies, and knife edge amplitudes. Particle Image Velocimetry(PIV) data was collected using Brewster Angle Microscopy(BAM), revealing the influence of oscillatory interfacial shear stress on the monolayer. Insights were gained as to how the velocity profile dampens at specific distances from the knife edge contact depending on the amplitude, frequency, and concentration of Vitamin K1. Supported by NNX13AQ22G, National Aeronautics and Space Administration.

The Wide-area Energy Management System Phase 2 Final Report

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

Lu, Ning; Makarov, Yuri V.; Weimar, Mark R.

2010-08-31

The higher penetration of intermittent generation resources (including wind and solar generation) in the Bonneville Power Administration (BPA) and California Independent System Operator (CAISO) balancing authorities (BAs) raises issue of requiring expensive additional fast grid balancing services in response to additional intermittency and fast up and down power ramps in the electric supply system. The overall goal of the wide-area energy management system (WAEMS) project is to develop the principles, algorithms, market integration rules, a functional design, and a technical specification for an energy storage system to help cope with unexpected rapid changes in renewable generation power output. The resultingmore » system will store excess energy, control dispatchable load and distributed generation, and utilize inter-area exchange of the excess energy between the California ISO and Bonneville Power Administration control areas. A further goal is to provide a cost-benefit analysis and develop a business model for an investment-based practical deployment of such a system. There are two tasks in Phase 2 of the WAEMS project: the flywheel field tests and the battery evaluation. Two final reports, the Wide-area Energy Management System Phase 2 Flywheel Field Tests Final Report and the Wide-area Energy Storage and Management System Battery Storage Evaluation, were written to summarize the results of the two tasks.« less

Interfacial Thickness Guidelines for SiC(Fiber)/SiC(Matrix) Composites

NASA Technical Reports Server (NTRS)

Hurst, Janet B.

1998-01-01

Researchers at the NASA Lewis Research Center have developed a guideline for the interface thickness necessary for SiC(Fiber)/SiC(Matrix) composites to demonstrate good composite properties. These composite materials have potential commercial applications for high-temperature structural components such as engine hot sections. Several samples of each were composed from three different small-diameter (less than 20 mm), polymer-derived SiC fibers that were woven into two-dimensional cloths and laid up as preforms. The preforms were treated with a chemical-vapor-infiltrated boron nitride layer as an interfacial coating on the fiber surfaces to provide the necessary debonding characteristics for successful composite behavior. Then, the preforms were filled with additional SiC as a matrix phase.

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.

Bayesian hierarchical models for smoothing in two-phase studies, with application to small area estimation.

PubMed

Ross, Michelle; Wakefield, Jon

2015-10-01

Two-phase study designs are appealing since they allow for the oversampling of rare sub-populations which improves efficiency. In this paper we describe a Bayesian hierarchical model for the analysis of two-phase data. Such a model is particularly appealing in a spatial setting in which random effects are introduced to model between-area variability. In such a situation, one may be interested in estimating regression coefficients or, in the context of small area estimation, in reconstructing the population totals by strata. The efficiency gains of the two-phase sampling scheme are compared to standard approaches using 2011 birth data from the research triangle area of North Carolina. We show that the proposed method can overcome small sample difficulties and improve on existing techniques. We conclude that the two-phase design is an attractive approach for small area estimation.

Three-dimensional effects in interfacial crack propagation

NASA Astrophysics Data System (ADS)

Liechti, K. M.; Chai, Y.-S.; Liang, Y.-M.

1992-09-01

The paper describes the use of crack-opening interferometry for examining the variation in normal crack-opening displacements (NCOD) along the front of an interfacial crack in an edge-cracked bimaterial strip under biaxial loading. For the glass/epoxy combination considered here, the crack front was concave in the direction of crack growth, in contrast to previous observations with a glass/polyurethane/glass sandwich specimen and cracks in homogeneous materials. The NCOD were greatest in the interior of the specimen for all mode-mixes considered and the exponents in a power-law fit of NCOD versus distance from the crack front decreased toward the free surface. The exponents varied with mode-mix, suggesting that interfacial crack-front geometries could be similarly affected.

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

PubMed

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

2009-02-01

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

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.

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

PubMed

Chen, Min

2011-11-01

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

Tailoring the Interfacial Chemical Interaction for High-Efficiency Perovskite Solar Cells.

PubMed

Zuo, Lijian; Chen, Qi; De Marco, Nicholas; Hsieh, Yao-Tsung; Chen, Huajun; Sun, Pengyu; Chang, Sheng-Yung; Zhao, Hongxiang; Dong, Shiqi; Yang, Yang

2017-01-11

The ionic nature of perovskite photovoltaic materials makes it easy to form various chemical interactions with different functional groups. Here, we demonstrate that interfacial chemical interactions are a critical factor in determining the optoelectronic properties of perovskite solar cells. By depositing different self-assembled monolayers (SAMs), we introduce different functional groups onto the SnO 2 surface to form various chemical interactions with the perovskite layer. It is observed that the perovskite solar cell device performance shows an opposite trend to that of the energy level alignment theory, which shows that chemical interactions are the predominant factor governing the interfacial optoelectronic properties. Further analysis verifies that proper interfacial interactions can significantly reduce trap state density and facilitate the interfacial charge transfer. Through use of the 4-pyridinecarboxylic acid SAM, the resulting perovskite solar cell exhibits striking improvements to the reach the highest efficiency of 18.8%, which constitutes an ∼10% enhancement compared to those without SAMs. Our work highlights the importance of chemical interactions at perovskite/electrode interfaces and paves the way for further optimizing performances of perovskite solar cells.

SiC (SCS-6) Fiber Reinforced-Reaction Formed SiC Matrix Composites: Microstructure and Interfacial Properties

NASA Technical Reports Server (NTRS)

Singh, M.; Dickerson, R. M.; Olmstead, Forrest A.; Eldridge, J. I.

1997-01-01

Microstructural and interfacial characterization of unidirectional SiC (SCS-6) fiber reinforced-reaction formed SiC (RFSC) composites has been carried out. Silicon-1.7 at.% molybdenum alloy was used as the melt infiltrant, instead of pure silicon, to reduce the activity of silicon in the melt as well as to reduce the amount of free silicon in the matrix. Electron microprobe analysis was used to evaluate the microstructure and phase distribution in these composites. The matrix is SiC with a bi-modal grain-size distribution and small amounts of MoSi2, silicon, and carbon. Fiber push-outs tests on these composites showed that a desirably low interfacial shear strength was achieved. The average debond shear stress at room temperature varied with specimen thickness from 29 to 64 MPa, with higher values observed for thinner specimens. Initial frictional sliding stresses showed little thickness dependence with values generally close to 30 MPa. Push-out test results showed very little change when the test temperature was increased to 800 C from room temperature, indicating an absence of significant residual stresses in the composite.

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.

Do breeding phase and detection distance influence the effective area surveyed for northern goshawks?

USGS Publications Warehouse

Roberson, A.M.; Andersen, D.E.; Kennedy, P.L.

2005-01-01

Broadcast surveys using conspecific calls are currently the most effective method for detecting northern goshawks (Accipiter gentilis) during the breeding season. These surveys typically use alarm calls during the nestling phase and juvenile food-begging calls during the fledgling-dependency phase. Because goshawks are most vocal during the courtship phase, we hypothesized that this phase would be an effective time to detect goshawks. Our objective was to improve current survey methodology by evaluating the probability of detecting goshawks at active nests in northern Minnesota in 3 breeding phases and at 4 broadcast distances and to determine the effective area surveyed per broadcast station. Unlike previous studies, we broadcast calls at only 1 distance per trial. This approach better quantifies (1) the relationship between distance and probability of detection, and (2) the effective area surveyed (EAS) per broadcast station. We conducted 99 broadcast trials at 14 active breeding areas. When pooled over all distances, detection rates were highest during the courtship (70%) and fledgling-dependency phases (68%). Detection rates were lowest during the nestling phase (28%), when there appeared to be higher variation in likelihood of detecting individuals. EAS per broadcast station was 39.8 ha during courtship and 24.8 ha during fledgling-dependency. Consequently, in northern Minnesota, broadcast stations may be spaced 712m and 562 m apart when conducting systematic surveys during courtship and fledgling-dependency, respectively. We could not calculate EAS for the nestling phase because probability of detection was not a simple function of distance from nest. Calculation of EAS could be applied to other areas where the probability of detection is a known function of distance.

Tucson Diversion Channel. Phase I. Sport Fields & Picnic Area. Feature Design Memorandum Number 3.

DTIC Science & Technology

1983-04-01

opportunities for picnicking, a variety of field sports and court games , archery, jogging, and bicycling. d. Rapid urban growth in the Tucson metropolitan area...AD’A136 927 TUCSON DIVERSION CHANNEL PHASE I SPORT FIELDS A PICNI IC J AREA FEATURE DESIGN MEMORANDUM NUMBER 3(U) ARMY ENGINEER DISTRICT LOS ANGELES...TUCSON DIVERSION CHMNEL DESIGN EIORANDUK NO. 3 FEATURE DESIGN MNRORANDIJ PHASE I SPORT FIELDS & PICNIC AREA APRIL 1983 t1 US AM CORPS OF

Nanoscale assembly of lanthanum silica with dense and porous interfacial structures.

PubMed

Ballinger, Benjamin; Motuzas, Julius; Miller, Christopher R; Smart, Simon; Diniz da Costa, João C

2015-02-03

This work reports on the nanoscale assembly of hybrid lanthanum oxide and silica structures, which form patterns of interfacial dense and porous networks. It was found that increasing the molar ratio of lanthanum nitrate to tetraethyl orthosilicate (TEOS) in an acid catalysed sol-gel process alters the expected microporous metal oxide silica structure to a predominantly mesoporous structure above a critical lanthanum concentration. This change manifests itself by the formation of a lanthanum silicate phase, which results from the reaction of lanthanum oxide nanoparticles with the silica matrix. This process converts the microporous silica into the denser silicate phase. Above a lanthanum to silica ratio of 0.15, the combination of growth and microporous silica consumption results in the formation of nanoscale hybrid lanthanum oxides, with the inter-nano-domain spacing forming mesoporous volume. As the size of these nano-domains increases with concentration, so does the mesoporous volume. The absence of lanthanum hydroxide (La(OH)3) suggests the formation of La2O3 surrounded by lanthanum silicate.

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).

Temperature-Induced Transitions in the Structure and Interfacial Rheology of Human Meibum

PubMed Central

Leiske, Danielle L.; Leiske, Christopher I.; Leiske, Daniel R.; Toney, Michael F.; Senchyna, Michelle; Ketelson, Howard A.; Meadows, David L.; Fuller, Gerald G.

2012-01-01

Meibomian lipids are the primary component of the lipid layer of the tear film. Composed primarily of a mixture of lipids, meibum exhibits a range of melt temperatures. Compositional changes that occur with disease may alter the temperature at which meibum melts. Here we explore how the mechanical properties and structure of meibum from healthy subjects depend on temperature. Interfacial films of meibum were highly viscoelastic at 17°C, but as the films were heated to 30°C the surface moduli decreased by more than two orders of magnitude. Brewster angle microscopy revealed the presence of micron-scale inhomogeneities in meibum films at higher temperatures. Crystalline structure was probed by small angle x-ray scattering of bulk meibum, which showed evidence of a majority crystalline structure in all samples with lamellar spacing of 49 Å that melted at 34°C. A minority structure was observed in some samples with d-spacing at 110 Å that persisted up to 40°C. The melting of crystalline phases accompanied by a reduction in interfacial viscosity and elasticity has implications in meibum behavior in the tear film. If the melt temperature of meibum was altered significantly from disease-induced compositional changes, the resultant change in viscosity could alter secretion of lipids from meibomian glands, or tear-film stabilization properties of the lipid layer. PMID:22339874

Atomistic simulations of bulk, surface and interfacial polymer properties

NASA Astrophysics Data System (ADS)

Natarajan, Upendra

In chapter I, quasi-static molecular mechanics based simulations are used to estimate the activation energy of phenoxy rings flips in the amorphous region of a semicrystalline polyimide. Intra and intermolecular contributions to the flip activation energy, the torsional cooperativity accompanying the flip, and the effect of the flip on the motion in the glassy bulk state, are looked at. Also, comparison of the weighted mean activation energy is made with experimental data from solid state NMR measurements; the simulated value being 17.5 kcal/mol., while the experimental value was observed to be 10.5 kcal/mol. Chapter II deals with construction of random copolymer thin films of styrene-butadiene (SB) and styrene-butadiene-acrylonitrile (SBA). The structure and properties of the free surfaces presented by these thin films are analysed by, the atom mass density profiles, backbone bond orientation function, and the spatial distribution of acrylonitrile groups and styrene rings. The surface energies of SB and SBA are calculated using an atomistic equation and are compared with experimental data in the literature. In chapter III, simulations of polymer-polymer interfaces between like and unlike polymers, specifically cis-polybutadiene (PBD) and atatic polypropylene (PP), are presented. The structure of an incompatible polymer-polymer interface, and the estimation of the thermodynamic work of adhesion and interfacial energy between different incompatible polymers, form the focus here. The work of adhesion is calculated using an atomistic equation and is further used in a macroscopic equation to estimate the interfacial energy. The interfacial energy is compared with typical values for other immiscible systems in the literature. The interfacial energy compared very well with interfacial energy values for a few other immiscible hydrocarbon pairs. In chapter IV, the study proceeds to look at the interactions between nonpolar and polar small molecules with SB and SBA thin

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.

Microscale X-ray tomographic investigation of the interfacial morphology between the catalyst and micro porous layers in proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Prass, Sebastian; Hasanpour, Sadegh; Sow, Pradeep Kumar; Phillion, André B.; Mérida, Walter

2016-07-01

The interfacial morphology between the catalyst layer (CL) and micro porous layer (MPL) influences the performance of proton exchange membrane fuel cells (PEMFCs). Here we report a direct method to investigate the CL-MPL interfacial morphology of stacked and compressed gas diffusion layer (GDL with MPL)-catalyst coated membrane (CCM) assemblies. The area, origin and dimensions of interfacial gaps are studied with high-resolution X-ray micro computed tomography (X-μCT). The projected gap area (fraction of the CL-MPL interface separated by gaps) is higher for GDL-CCM assemblies with large differences in the surface roughness between CL and MPL but reduces with increasing compression and similarity in roughness. Relatively large continuous gaps are found in proximity to cracks in the MPL. These are hypothesized to form due to the presence of large pores on the surface of the GDL. Smaller gaps are induced by the surface roughness features throughout the CL-MPL interface. By modification of the pore sizes on the GDL surface serving as substrate for the MPL, the number and dimension of MPL crack induced gaps can be manipulated. Moreover, adjusting the CL and MPL surface roughness parameters to achieve similar orders of roughness can improve the surface mating characteristics of these two components.

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.

The role of the hydrophobic phase in the unique rheological properties of saponin adsorption layers.

PubMed

Golemanov, Konstantin; Tcholakova, Slavka; Denkov, Nikolai; Pelan, Eddie; Stoyanov, Simeon D

2014-09-28

Saponins are a diverse class of natural, plant derived surfactants, with peculiar molecular structure consisting of a hydrophobic scaffold and one or several hydrophilic oligosaccharide chains. Saponins have strong surface activity and are used as natural emulsifiers and foaming agents in food and beverage, pharmaceutical, ore processing, and other industries. Many saponins form adsorption layers at the air-water interface with extremely high surface elasticity and viscosity. The molecular origin of the observed unique interfacial visco-elasticity of saponin adsorption layers is of great interest from both scientific and application viewpoints. In the current study we demonstrate that the hydrophobic phase in contact with water has a very strong effect on the interfacial properties of saponins and that the interfacial elasticity and viscosity of the saponin adsorption layers decrease in the order: air > hexadecane ≫ tricaprylin. The molecular mechanisms behind these trends are analyzed and discussed in the context of the general structure of the surfactant adsorption layers at various nonpolar phase-water interfaces.

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

PubMed

Stolz, Carina M; Masuero, Angela B

2015-10-01

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

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

NASA Astrophysics Data System (ADS)

Wang, Xu; Schiavone, Peter

2018-06-01

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

Interfacial recombination at /AlGa/As/GaAs heterojunction structures

NASA Technical Reports Server (NTRS)

Ettenberg, M.; Kressel, H.

1976-01-01

Experiments were conducted to determine the interfacial recombination velocity at Al0.25Ga0.75As/GaAs and Al0.5Ga0.5As/GaAs heterojunctions. The recombination velocity was derived from a study of the injected minority-carrier lifetime as a function of the junction spacing. It is found that for heterojunction spacings in excess of about 1 micron, the interfacial recombination can be characterized by a surface recombination velocity of 4,000 and 8,000 cm/sec for the two types of heterojunctions, respectively. For double-heterojunction spacings below 1 micron, the constancy of the minority-carrier lifetime suggests that the interfacial recombination velocity decreases effectively. This effect is technologically very important since it makes it possible to construct very low-threshold injection lasers. No such effect is observed in single-heterojunction diodes.

Gas-liquid interfacial plasmas producing reactive species for cell membrane permeabilization

PubMed Central

Kaneko, Toshiro; Sasaki, Shota; Takashima, Keisuke; Kanzaki, Makoto

2017-01-01

Gas-liquid interfacial atmospheric-pressure plasma jets (GLI-APPJ) are used medically for plasma-induced cell-membrane permeabilization. In an attempt to identify the dominant factors induced by GLI-APPJ responsible for enhancing cell-membrane permeability, the concentration and distribution of plasma-produced reactive species in the gas and liquid phase regions are measured. These reactive species are classified in terms of their life-span: long-lived (e.g., H2O2), short-lived (e.g., O2•−), and extremely-short-lived (e.g., •OH). The concentration of plasma-produced •OHaq in the liquid phase region decreases with an increase in solution thickness (<1 mm), and plasma-induced cell-membrane permeabilization is found to decay markedly as the thickness of the solution increases. Furthermore, the horizontally center-localized distribution of •OHaq, resulting from the center-peaked distribution of •OH in the gas phase region, corresponds with the distribution of the permeabilized cells upon APPJ irradiation, whereas the overall plasma-produced oxidizing species such as H2O2aq in solution exhibit a doughnut-shaped horizontal distribution. These results suggest that •OHaq is likely one of the dominant factors responsible for plasma-induced cell-membrane permeabilization. PMID:28163376

Gas-liquid interfacial plasmas producing reactive species for cell membrane permeabilization.

PubMed

Kaneko, Toshiro; Sasaki, Shota; Takashima, Keisuke; Kanzaki, Makoto

2017-01-01

Gas-liquid interfacial atmospheric-pressure plasma jets (GLI-APPJ) are used medically for plasma-induced cell-membrane permeabilization. In an attempt to identify the dominant factors induced by GLI-APPJ responsible for enhancing cell-membrane permeability, the concentration and distribution of plasma-produced reactive species in the gas and liquid phase regions are measured. These reactive species are classified in terms of their life-span: long-lived (e.g., H 2 O 2 ), short-lived (e.g., O 2 •- ), and extremely-short-lived (e.g., • OH). The concentration of plasma-produced • OH aq in the liquid phase region decreases with an increase in solution thickness (<1 mm), and plasma-induced cell-membrane permeabilization is found to decay markedly as the thickness of the solution increases. Furthermore, the horizontally center-localized distribution of • OH aq , resulting from the center-peaked distribution of • OH in the gas phase region, corresponds with the distribution of the permeabilized cells upon APPJ irradiation, whereas the overall plasma-produced oxidizing species such as H 2 O 2aq in solution exhibit a doughnut-shaped horizontal distribution. These results suggest that • OH aq is likely one of the dominant factors responsible for plasma-induced cell-membrane permeabilization.

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.

Separation of aqueous two-phase polymer systems in microgravity

NASA Technical Reports Server (NTRS)

Vanalstine, J. M.; Harris, J. M.; Synder, S.; Curreri, P. A.; Bamberger, S. B.; Brooks, D. E.

1984-01-01

Phase separation of polymer systems in microgravity is studied in aircraft flights to prepare shuttle experiments. Short duration (20 sec) experiments demonstrate that phase separation proceeds rapidly in low gravity despite appreciable phase viscosities and low liquid interfacial tensions (i.e., 50 cP, 10 micro N/m). Ostwald ripening does not appear to be a satisfactory model for the phase separation mechanism. Polymer coated surfaces are evaluated as a means to localize phases separated in low gravity. Contact angle measurements demonstrate that covalently coupling dextran or PEG to glass drastically alters the 1-g wall wetting behavior of the phases in dextran-PEG two phase systems.

Two-phase damping and interface surface area in tubes with vertical internal flow

NASA Astrophysics Data System (ADS)

Béguin, C.; Anscutter, F.; Ross, A.; Pettigrew, M. J.; Mureithi, N. W.

2009-01-01

Two-phase flow is common in the nuclear industry. It is a potential source of vibration in piping systems. In this paper, two-phase damping in the bubbly flow regime is related to the interface surface area and, therefore, to flow configuration. Experiments were performed with a vertical tube clamped at both ends. First, gas bubbles of controlled geometry were simulated with glass spheres let to settle in stagnant water. Second, air was injected in stagnant alcohol to generate a uniform and measurable bubble flow. In both cases, the two-phase damping ratio is correlated to the number of bubbles (or spheres). Two-phase damping is directly related to the interface surface area, based on a spherical bubble model. Further experiments were carried out on tubes with internal two-phase air-water flows. A strong dependence of two-phase damping on flow parameters in the bubbly flow regime is observed. A series of photographs attests to the fact that two-phase damping in bubbly flow increases for a larger number of bubbles, and for smaller bubbles. It is highest immediately prior to the transition from bubbly flow to slug or churn flow regimes. Beyond the transition, damping decreases. It is also shown that two-phase damping increases with the tube diameter.

An insight into intrinsic interfacial properties between Li metals and Li10GeP2S12 solid electrolytes.

PubMed

Chen, Bingbing; Ju, Jiangwei; Ma, Jun; Zhang, Jianjun; Xiao, Ruijuan; Cui, Guanglei; Chen, Liquan

2017-11-29

Density functional theory simulations and experimental studies were performed to investigate the interfacial properties, including lithium ion migration kinetics, between lithium metal anode and solid electrolyte Li 10 GeP 2 S 12 (LGPS). The LGPS[001] plane was chosen as the studied surface because the easiest Li + migration pathway is along this direction. The electronic structure of the surface states indicated that the electrochemical stability was reduced at both the PS 4 - and GeS 4 -teminated surfaces. For the interface cases, the equilibrium interfacial structures of lithium metal against the PS 4 -terminated LGPS[001] surface (Li/PS 4 -LGPS) and the GeS 4 -terminated LGPS[001] surface (Li/GeS 4 -LGPS) were revealed based on the structural relaxation and adhesion energy analysis. Solid electrolyte interphases were expected to be formed at both Li/PS 4 -LGPS and Li/GeS 4 -LGPS interfaces, resulting in an unstable state of interface and large interfacial resistance, which was verified by the EIS results of the Li/LGPS/Li cell. In addition, the simulations of the migration kinetics show that the energy barriers for Li + crossing the Li/GeS 4 -LGPS interface were relatively low compared with the Li/PS 4 -LGPS interface. This may contribute to the formation of Ge-rich phases at the Li/LGPS interface, which can tune the interfacial structures to improve the ionic conductivity for future all-solid-state batteries. This work will offer a thorough understanding of the Li/LGPS interface, including local structures, electronic states and Li + diffusion behaviors in all-solid-state batteries.

Computation of Anisotropic Bi-Material Interfacial Fracture Parameters and Delamination Creteria

NASA Technical Reports Server (NTRS)

Chow, W-T.; Wang, L.; Atluri, S. N.

1998-01-01

This report documents the recent developments in methodologies for the evaluation of the integrity and durability of composite structures, including i) the establishment of a stress-intensity-factor based fracture criterion for bimaterial interfacial cracks in anisotropic materials (see Sec. 2); ii) the development of a virtual crack closure integral method for the evaluation of the mixed-mode stress intensity factors for a bimaterial interfacial crack (see Sec. 3). Analytical and numerical results show that the proposed fracture criterion is a better fracture criterion than the total energy release rate criterion in the characterization of the bimaterial interfacial cracks. The proposed virtual crack closure integral method is an efficient and accurate numerical method for the evaluation of mixed-mode stress intensity factors.

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

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.

Surface and interfacial chemistry of high-k dielectric and interconnect materials on silicon

NASA Astrophysics Data System (ADS)

Kirsch, Paul Daniel

Surfaces and interfaces play a critical role in the manufacture and function of silicon based integrated circuits. It is therefore reasonable to study the chemistries at these surfaces and interfaces to improve existing processes and to develop new ones. Model barium strontium titanate high-k dielectric systems have been deposited on ultrathin silicon oxynitride in ultrahigh vacuum. The resulting nanostructures are characterized with secondary ion mass spectroscopy (SIMS) and X-ray photoelectron spectroscopy (XPS). An interfacial reaction between Ba and Sr atoms and SiOxNy was found to create silicates, BaSixOy or SrSi xOy. Inclusion of N in the interfacial oxide decreased silicate formation in both Ba and Sr systems. Furthermore, inclusion of N in the interfacial oxide decreased the penetration of Ba and Sr containing species, such as silicides and silicates. Sputter deposited HfO2 was studied on nitrided and unnitrided Si(100) surfaces. XPS and SIMS were used to verify the presence of interfacial HfSixOy and estimate its relative amount on both nitrided and unnitrided samples. More HfSixOy formed without the SiNx interfacial layer. These interfacial chemistry results are then used to explain the electrical measurements obtained from metal oxide semiconductor (MOS) capacitors. MOS capacitors with interfacial SiNx exhibit reduced leakage current and increased capacitance. Lastly, surface science techniques were used to develop a processing technique for reducing thin films of copper (II) and copper (I) oxide to copper. Deuterium atoms (D*) and methyl radicals (CH3*) were shown to reduce Cu 2+ and/or Cu1+ to Cu0 within 30 min at a surface temperature of 400 K under a flux of 1 x 1015 atoms/cm2s. Temperature programmed desorption experiments suggest that oxygen leaves the surface as D2O and CO2 for the D* and CH3* treated surfaces, respectively.

Analysis of nanoscale two-phase flow of argon using molecular dynamics

NASA Astrophysics Data System (ADS)

Verma, Abhishek Kumar; Kumar, Rakesh

2014-12-01

Two phase flows through micro and nanochannels have attracted a lot of attention because of their immense applicability to many advanced fields such as MEMS/NEMS, electronic cooling, bioengineering etc. In this work, a molecular dynamics simulation method is employed to study the condensation process of superheated argon vapor force driven flow through a nanochannel combining fluid flow and heat transfer. A simple and effective particle insertion method is proposed to model phase change of argon based on non-periodic boundary conditions in the simulation domain. Starting from a crystalline solid wall of channel, the condensation process evolves from a transient unsteady state where we study the influence of different wall temperatures and fluid wall interactions on interfacial and heat transport properties of two phase flows. Subsequently, we analyzed transient temperature, density and velocity fields across the channel and their dependency on varying wall temperature and fluid wall interaction, after a dynamic equilibrium is achieved in phase transition. Quasi-steady nonequilibrium temperature profile, heat flux and interfacial thermal resistance were analyzed. The results demonstrate that the molecular dynamics method, with the proposed particle insertion method, effectively solves unsteady nonequilibrium two phase flows at nanoscale resolutions whose interphase between liquid and vapor phase is typically of the order of a few molecular diameters.

Physicochemically functional ultrathin films by interfacial polymerization

DOEpatents

Lonsdale, Harold K.; Babcock, Walter C.; Friensen, Dwayne T.; Smith, Kelly L.; Johnson, Bruce M.; Wamser, Carl C.

1990-01-01

Interfacially-polymerized ultrathin films containing physicochemically functional groups are disclosed, both with and without supports. Various applications are disclsoed, including membrane electrodes, selective membranes and sorbents, biocompatible materials, targeted drug delivery, and narrow band optical absorbers.

Molecular dynamics studies of interfacial water at the alumina surface.

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

Argyris, Dr. Dimitrios; Ho, Thomas; Cole, David

2011-01-01

Interfacial water properties at the alumina surface were investigated via all-atom equilibrium molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated alumina surfaces were considered to assess the structural and dynamic behavior of the first few hydration layers in contact with the substrates. Density profiles suggest water layering up to {approx}10 {angstrom} from the solid substrate. Planar density distribution data indicate that water molecules in the first interfacial layer are organized in well-defined patterns dictated by the atomic terminations of the alumina surface. Interfacial water exhibits preferential orientation and delayed dynamics compared to bulk water. Water exhibits bulk-like behavior atmore » distances greater than {approx}10 {angstrom} from the substrate. The formation of an extended hydrogen bond network within the first few hydration layers illustrates the significance of water?water interactions on the structural properties at the interface.« less

Phase Transformations and Microstructural Evolution: Part II

DOE PAGES

Clarke, Amy Jean

2015-10-30

The activities of the Phase Transformations Committee of the Materials Processing & Manufacturing Division (MPMD) of The Minerals, Metals & Materials Society (TMS) are oriented toward understanding the fundamental aspects of phase transformations. Emphasis is placed on the thermodynamic driving forces for phase transformations, the kinetics of nucleation and growth, interfacial structures and energies, transformation crystallography, surface reliefs, and, above all, the atomic mechanisms of phase transformations. Phase transformations and microstructural evolution are directly linked to materials processing, properties, and performance. In this issue, aspects of liquid–solid and solid-state phase transformations and microstructural evolution are highlighted. Many papers in thismore » issue are highlighted by this paper, giving a brief summary of what they bring to the scientific community.« less

Dependence of Interfacial Excess on the Threshold Value of the Isoconcentration Surface

NASA Technical Reports Server (NTRS)

Yoon, Kevin E.; Noebe, Ronald D.; Hellman, Olof C.; Seidman, David N.

2004-01-01

The proximity histogram (or proxigram for short) is used for analyzing data collected by a three-dimensional atom probe microscope. The interfacial excess of Re (2.41 +/- 0.68 atoms/sq nm) is calculated by employing a proxigram in a completely geometrically independent way for gamma/gamma' interfaces in Rene N6, a third-generation single-crystal Ni-based superalloy. A possible dependence of interfacial excess on the variation of the threshold value of an isoconcentration surface is investigated using the data collected for Rene N6 alloy. It is demonstrated that the dependence of the interfacial excess value on the threshold value of the isoconcentration surface is weak.

Interfacial Fracture Toughness of Adhesive Resin Cement-Lithium-Disilicate/Resin-Composite Blocks.

PubMed

Mesmar, Samer; Ruse, N Dorin

2017-09-15

Resin composite blocks (RCB) are advocated as alternative to ceramic blocks (CB). Prior to use, adherence to these materials should characterized. This study aimed to test the null hypothesis (H 0 ) that material and surface treatment combinations do not influence interfacial fracture toughness (K IC ) of a self-cured adhesive resin cement [RelyX Ultimate (RXU)] to RCB or CB, under nonaged and aged conditions. Two RCB, Lava Ultimate (LU) and Enamic (EN), and one CB, IPS e.max Press (EMP) were used. Half-size [(6 × 6 × 6 × 6 mm)] specimens were prepared for EMP (n = 30), EN (n = 30), and LU (n = 60). RCB specimens were prepared by wet cutting/grinding, while CB specimens were pressed. Surfaces of EMP and EN were preconditioned with hydrofluoric acid (5%); surfaces of LU were sandblasted with either 27 μm alumina (LUS) or 30 μm silica-modified alumina Rocatec soft (LUR). All specimens were bonded with Scotchbond Universal adhesive and RXU. Additionally, twenty (4 × 4 × 4 × 8 mm) RXU specimens were prepared. All specimens were stored in water at 37°C and tested after 1 and 60 days. Interfacial K IC was determined with the notchless triangular prism specimen K IC test. Results were analyzed with two-way ANOVA and Scheffé multiple means comparisons (α = 0.05). Preconditioned and selected fractured surfaces were characterized with scanning electron microscopy. At 24 hours, LUS-RXU and LUR-RXU had significantly higher interfacial K IC than EN-RXU and EMP-RXU and were not different from K IC of RXU. Aging lead to a significant decrease in K IC of RXU and interfacial K IC of LUS-RXU, LUR-RXU, and EMP-RXU; interfacial K IC of EN-RXU was not affected. Based on the results, H 0 was rejected. Under the conditions of this study, at 24 hours, interfacial K IC of LUS-RXU and LUR-RXU was superior to EMP-RXU and EN-RXU. Aging in water at 37°C did not affect interfacial K IC of EN-RXU but adversely affected K IC of RXU and the other interfacial K IC . The results suggest

Tunable anomalous hall effect induced by interfacial catalyst in perpendicular multilayers

NASA Astrophysics Data System (ADS)

Zhang, J. Y.; Peng, W. L.; Sun, Q. Y.; Liu, Y. W.; Dong, B. W.; Zheng, X. Q.; Yu, G. H.; Wang, C.; Zhao, Y. C.; Wang, S. G.

2018-04-01

The interfacial structures, playing a critical role on the transport properties and the perpendicular magnetic anisotropy in thin films and multilayers, can be modified by inserting an ultrathin functional layer at the various interfaces. The anomalous Hall effect (AHE) in the multilayers with core structure of Ta/CoFeB/X/MgO/Ta (X: Hf or Pt) is tuned by interfacial catalytic engineering. The saturation anomalous Hall resistance (RAH) is increased by 16.5% with 0.1 nm Hf insertion compared with the reference sample without insertion. However, the RAH value is decreased by 9.0% with 0.1 nm Pt insertion. The interfacial states were characterized by the X-ray photoelectron spectroscopy (XPS). The XPS results indicate that a strong bonding between Hf and O for Hf insertion, but no bonding between Pt and O for Pt insertion. The bonding between metal and oxygen leads to various oxygen migration behavior at the interfaces. Therefore, the opposite behavior about the RAH originates from the different oxygen behavior due to various interfacial insertion. This work provides a new approach to manipulate spin transport property for the potential applications.

Interfacial Tension in the CaO-Al2O3-SiO2-(MgO) Liquid Slag-Solid Oxide Systems

NASA Astrophysics Data System (ADS)

Abdeyazdan, Hamed; Monaghan, Brian J.; Longbottom, Raymond J.; Rhamdhani, M. Akbar; Dogan, Neslihan; Chapman, Michael W.

2017-08-01

Interfacial phenomenon is critical in metal processing and refining. While it is known to be important, there are little data available for key oxide systems in the literature. In this study, the interfacial tension ( σ LS) of liquid slag on solid oxides (alumina, spinel, and calcium aluminate), for a range of slags in the CaO-Al2O3-SiO2-(MgO) system at 1773 K (1500 °C), has been evaluated. The results show that basic ladle-type slags exhibit lower σ LS with oxide phases examined compared to that of acid tundish-type slags. Also, within the slag types (acid and base), σ LS was observed to decrease with increasing slag basicity. A correlation between σ LS and slag structure was observed, i.e., σ LS was found to decrease linearly with increasing of slag optical basicity (Λ) and decrease logarithmically with decreasing of slag viscosity from acid to base slags. This indicated a higher σ LS as the ions in the slag become larger and more complex. Through a work of adhesion ( W) analysis, it was shown that basic ladle slags with lower σ LS result in a greater W, i.e., form a stronger bond with the solid oxide phases examined. This indicates that all other factors being equal, the efficiency of inclusion removal from steel of inclusions of similar phase to these solid oxides would be greater.

Pore-scale simulation of wettability and interfacial tension effects on flooding process for enhanced oil recovery.

PubMed

Zhao, Jin; Wen, Dongsheng

2017-08-27

For enhanced oil recovery (EOR) applications, the oil/water flow characteristics during the flooding process was numerically investigated with the volume-of-fluid method at the pore scale. A two-dimensional pore throat-body connecting structure was established, and four scenarios were simulated in this paper. For oil-saturated pores, the wettability effect on the flooding process was studied; for oil-unsaturated pores, three effects were modelled to investigate the oil/water phase flow behaviors, namely the wettability effect, the interfacial tension (IFT) effect, and the combined wettability/IFT effect. The results show that oil saturated pores with the water-wet state can lead to 25-40% more oil recovery than with the oil-wet state, and the remaining oil mainly stays in the near wall region of the pore bodies for oil-wet saturated pores. For oil-unsaturated pores, the wettability effects on the flooding process can help oil to detach from the pore walls. By decreasing the oil/water interfacial tension and altering the wettability from oil-wet to water-wet state, the remaining oil recovery rate can be enhanced successfully. The wettability-IFT combined effect shows better EOR potential compared with decreasing the interfacial tension alone under the oil-wet condition. The simulation results in this work are consistent with previous experimental and molecular dynamics simulation conclusions. The combination effect of the IFT reducation and wettability alteration can become an important recovery mechanism in future studies for nanoparticles, surfactant, and nanoparticle-surfactant hybrid flooding process.

Pore-scale simulation of wettability and interfacial tension effects on flooding process for enhanced oil recovery

PubMed Central

Zhao, Jin

2017-01-01

For enhanced oil recovery (EOR) applications, the oil/water flow characteristics during the flooding process was numerically investigated with the volume-of-fluid method at the pore scale. A two-dimensional pore throat-body connecting structure was established, and four scenarios were simulated in this paper. For oil-saturated pores, the wettability effect on the flooding process was studied; for oil-unsaturated pores, three effects were modelled to investigate the oil/water phase flow behaviors, namely the wettability effect, the interfacial tension (IFT) effect, and the combined wettability/IFT effect. The results show that oil saturated pores with the water-wet state can lead to 25–40% more oil recovery than with the oil-wet state, and the remaining oil mainly stays in the near wall region of the pore bodies for oil-wet saturated pores. For oil-unsaturated pores, the wettability effects on the flooding process can help oil to detach from the pore walls. By decreasing the oil/water interfacial tension and altering the wettability from oil-wet to water-wet state, the remaining oil recovery rate can be enhanced successfully. The wettability-IFT combined effect shows better EOR potential compared with decreasing the interfacial tension alone under the oil-wet condition. The simulation results in this work are consistent with previous experimental and molecular dynamics simulation conclusions. The combination effect of the IFT reducation and wettability alteration can become an important recovery mechanism in future studies for nanoparticles, surfactant, and nanoparticle–surfactant hybrid flooding process. PMID:29308190

The Melting Characteristics and Interfacial Reactions of Sn-ball/Sn-3.0Ag-0.5Cu-paste/Cu Joints During Reflow Soldering

NASA Astrophysics Data System (ADS)

Huang, J. Q.; Zhou, M. B.; Zhang, X. P.

2017-03-01

In this work, the melting characteristics and interfacial reactions of Sn-ball/Sn-3.0Ag-0.5Cu-paste/Cu (Sn/SAC305-paste/Cu) structure joints were studied using differential scanning calorimetry, in order to gain a deeper and broader understanding of the interfacial behavior and metallurgical combination among the substrate (under-bump metallization), solder ball and solder paste in a board-level ball grid array (BGA) assembly process, which is often seen as a mixed assembly using solder balls and solder pastes. Results show that at the SAC305 melting temperature of 217°C, neither the SAC305-paste nor the Sn-ball coalesce, while an interfacial reaction occurs between the SAC305-paste and Cu. A slight increase in reflow temperature (from 217°C to 218°C) results in the coalescence of the SAC305-paste with the Sn-ball. The Sn-ball exhibits premelting behavior at reflow temperatures below its melting temperature, and the premelting direction is from the bottom to the top of the Sn-ball. Remarkably, at 227°C, which is nearly 5°C lower than the melting point of pure Sn, the Sn-ball melts completely, resulting from two eutectic reactions, i.e., the reaction between Sn and Cu and that between Sn and Ag. Furthermore, a large amount of bulk Cu6Sn5 phase forms in the solder due to the quick dissolution of Cu substrate when the reflow temperature is increased to 245°C. In addition, the growth of the interfacial Cu6Sn5 layer at the SAC305-paste/Cu interface is controlled mainly by grain boundary diffusion, while the growth of the interfacial Cu3Sn layer is controlled mainly by bulk diffusion.

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

PubMed

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

2014-09-14

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

Liquid interfacial water and brines in the upper surface of Mars

NASA Astrophysics Data System (ADS)

Moehlmann, Diedrich

2013-04-01

Liquid interfacial water and brines in the upper surface of Mars Diedrich T.F. Möhlmann DLR Institut für Planetenforschung, Rutherfordstr. 2, D - 12489 Berlin, Germany dirk.moehlmann@dlr.de Interfacial water films and numerous brines are known to remain liquid at temperatures far below 0° C. The physical processes behind are described in some detail. Deliquescence, i.e. the liquefaction of hygroscopic salts at the threshold of a specific "Deliquescence Relative Humidity", is shown to be that process, which on present Mars supports the formation of stable interfacial water and bulk liquids in form of temporary brines on and in a salty upper surface of present Mars in a diurnally temporary and repetitive process. Temperature and relative humidity are the governing conditions for deliquescence (and the counterpart "efflorescence") to evolve. The current thermo-dynamical conditions on Mars support these processes to evolve on present Mars. The deliquescence-driven presence of liquid brines in the soil of the upper surface of Mars can expected to be followed by physical and chemical processes like "surface cementation", down-slope flows, and physical and chemical weathering processes. A remarkable and possibly also biologically relevant evolution towards internally interfacial water bearing structures of dendritic capillaries is related to their freezing - thawing driven formation. The internal walls of these network-pores or -tubes can be covered by films of interfacial water, providing that way possibly habitable crack-systems in soil and rock. These evolutionary processes of networks, driven by their tip-growth, can expected to be ongoing also at present.

Tuning Transpiration by Interfacial Solar Absorber‐Leaf Engineering

PubMed Central

Zhuang, Shendong; Zhou, Lin; Xu, Weichao; Xu, Ning; Hu, Xiaozhen; Li, Xiuqiang; Lv, Guangxin; Zheng, Qinghui; Zhu, Shining

2017-01-01

Abstract Plant transpiration, a process of water movement through a plant and its evaporation from aerial parts especially leaves, consumes a large component of the total continental precipitation (≈48%) and significantly influences global water distribution and climate. To date, various chemical and/or biological explorations have been made to tune the transpiration but with uncertain environmental risks. In recent years, interfacial solar steam/vapor generation is attracting a lot of attention for achieving high energy transfer efficiency. Various optical and thermal designs at the solar absorber–water interface for potential applications in water purification, seawater desalination, and power generation appear. In this work, the concept of interfacial solar vapor generation is extended to tunable plant transpiration by showing for the first time that the transpiration efficiency can also be enhanced or suppressed through engineering the solar absorber–leaf interface. By tuning the solar absorption of membrane in direct touch with green leaf, surface temperature of green leaf will change accordingly because of photothermal effect, thus the transpiration efficiency as well as temperature and relative humidity in the surrounding environment will be tuned. This tunable transpiration by interfacial absorber‐leaf engineering can open an alternative avenue to regulate local atmospheric temperature, humidity, and eventually hydrologic cycle. PMID:29619300

Tuning Transpiration by Interfacial Solar Absorber-Leaf Engineering.

PubMed

Zhuang, Shendong; Zhou, Lin; Xu, Weichao; Xu, Ning; Hu, Xiaozhen; Li, Xiuqiang; Lv, Guangxin; Zheng, Qinghui; Zhu, Shining; Wang, Zhenlin; Zhu, Jia

2018-02-01

Plant transpiration, a process of water movement through a plant and its evaporation from aerial parts especially leaves, consumes a large component of the total continental precipitation (≈48%) and significantly influences global water distribution and climate. To date, various chemical and/or biological explorations have been made to tune the transpiration but with uncertain environmental risks. In recent years, interfacial solar steam/vapor generation is attracting a lot of attention for achieving high energy transfer efficiency. Various optical and thermal designs at the solar absorber-water interface for potential applications in water purification, seawater desalination, and power generation appear. In this work, the concept of interfacial solar vapor generation is extended to tunable plant transpiration by showing for the first time that the transpiration efficiency can also be enhanced or suppressed through engineering the solar absorber-leaf interface. By tuning the solar absorption of membrane in direct touch with green leaf, surface temperature of green leaf will change accordingly because of photothermal effect, thus the transpiration efficiency as well as temperature and relative humidity in the surrounding environment will be tuned. This tunable transpiration by interfacial absorber-leaf engineering can open an alternative avenue to regulate local atmospheric temperature, humidity, and eventually hydrologic cycle.

Effect of interfacial interactions on the thermal conductivity and interfacial thermal conductance in tungsten–graphene layered structure

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

Jagannadham, K., E-mail: jag-kasichainula@ncsu.edu

2014-09-01

Graphene film was deposited by microwave plasma assisted deposition on polished oxygen free high conductivity copper foils. Tungsten–graphene layered film was formed by deposition of tungsten film by magnetron sputtering on the graphene covered copper foils. Tungsten film was also deposited directly on copper foil without graphene as the intermediate film. The tungsten–graphene–copper samples were heated at different temperatures up to 900 °C in argon atmosphere to form an interfacial tungsten carbide film. Tungsten film deposited on thicker graphene platelets dispersed on silicon wafer was also heated at 900 °C to identify the formation of tungsten carbide film by reaction of tungstenmore » with graphene platelets. The films were characterized by scanning electron microscopy, Raman spectroscopy, and x-ray diffraction. It was found that tungsten carbide film formed at the interface upon heating only above 650 °C. Transient thermoreflectance signal from the tungsten film surface on the samples was collected and modeled using one-dimensional heat equation. The experimental and modeled results showed that the presence of graphene at the interface reduced the cross-plane effective thermal conductivity and the interfacial thermal conductance of the layer structure. Heating at 650 and 900 °C in argon further reduced the cross-plane thermal conductivity and interface thermal conductance as a result of formation nanocrystalline tungsten carbide at the interface leading to separation and formation of voids. The present results emphasize that interfacial interactions between graphene and carbide forming bcc and hcp elements will reduce the cross-plane effective thermal conductivity in composites.« less

Physicochemically functional ultrathin films by interfacial polymerization

DOEpatents

Lonsdale, H.K.; Babcock, W.C.; Friensen, D.T.; Smith, K.L.; Johnson, B.M.; Wamser, C.C.

1990-08-14

Interfacially-polymerized ultrathin films containing physicochemically functional groups are disclosed, both with and without supports. Various applications are disclosed, including membrane electrodes, selective membranes and sorbents, biocompatible materials, targeted drug delivery, and narrow band optical absorbers. 3 figs.

Electrodeposition of Ni on Bi2Te3 and Interfacial Reaction Between Sn and Ni-Coated Bi2Te3

NASA Astrophysics Data System (ADS)

Tseng, Yu-Chen; Lee, Hsuan; Hau, Nga Yu; Feng, Shien-Ping; Chen, Chih-Ming

2018-01-01

Bismuth-telluride (Bi2Te3)-based compounds are common thermoelectric materials used for low-temperature applications, and nickel (Ni) is usually deposited on the Bi2Te3 substrates as a diffusion barrier. Deposition of Ni on the p-type (Sb-doped) and n-type (Se-doped) Bi2Te3 substrates using electroplating and interfacial reactions between Sn and Ni-coated Bi2Te3 substrates are investigated. Electrodeposition of Ni on different Bi2Te3 substrates is characterized based on cyclic voltammetry and Tafel measurements. Microstructural characterizations of the Ni deposition and the Sn/Ni/Bi2Te3 interfacial reactions are performed using scanning electron microscopy. A faster growth rate is observed for the Ni deposition on the n-type Bi2Te3 substrate which is attributed to a lower activation energy of reduction due to a higher density of free electrons in the n-type Bi2Te3 material. The common Ni3Sn4 phase is formed at the Sn/Ni interfaces on both the p-type and n-type Bi2Te3 substrates, while the NiTe phase is formed at a faster rate at the interface between Ni and n-type Bi2Te3 substrates.

Effect of interfacial stresses in an elastic body with a nanoinclusion

NASA Astrophysics Data System (ADS)

Vakaeva, Aleksandra B.; Grekov, Mikhail A.

2018-05-01

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

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.

Anisotropic nanocolloids: self-assembly, interfacial adsorption, and electrostatic screening

NASA Astrophysics Data System (ADS)

de Graaf, J.

2012-06-01

In this thesis we consider the influence of anisotropy on the behaviour of colloids using theory and simulations. The recent increase in the ability to synthesize anisotropic particles (cubes, caps, octapods, etc.) has led to samples of sufficient quality to perform self-assembly experiments. Our investigation is therefore particularly relevant to current and future experimental studies of colloids. We examine several topics for which shape anisotropy plays an important role: (1.) - Interfacial adsorption. We introduced the triangular-tessellation technique to approximate the surface areas and line length which are associated with a plane-particle intersection. Our method allowed us to determine the free energy of adsorption for a single irregular colloid with heterogeneous surface properties adsorbed at a flat liquid-liquid interface in the Pieranski approximation. Ellipsoids only adsorbed at the interface perpendicular to the interfacial normal. However, for cylinders we could find a metastable adsorption minimum corresponding to parallel adsorption. We also considered the possible time dependence of the adsorption process using simple dynamics. Finally, we studied the adsorption of truncated nanocubes with a contact-angle surface pattern and we observed that there are three prototypical equilibrium adsorption configurations for these particles. (2.) - Crystal-structure prediction. We extended an existing crystal-structure-prediction algorithm to predict structures for systems comprised of irregular hard particles. Using this technique we examined the high-density crystal structures for 17 irregular nonconvex shapes and we confirmed several mathematical conjectures for the packings of a large set of 142 convex polyhedra. We also proved that we have obtained the densest configurations for rhombicuboctahedra and rhombic enneacontrahedra, respectively. Moreover, we considered a family of truncated cubes, which interpolates between a cube and an octahedron, for which

Improved Interfacial Bonding in Magnesium/Aluminum Overcasting Systems by Aluminum Surface Treatments

NASA Astrophysics Data System (ADS)

Zhang, Hui; Chen, Yiqing; Luo, Alan A.

2014-12-01

"Overcasting" technique is used to produce bimetallic magnesium/aluminum (Mg/Al) structures where lightweight Mg can be cast onto solid Al substrates. An inherent difficulty in creating strong Mg/Al interfacial bonding is the natural oxide film on the solid Al surfaces, which reduces the wettability between molten Mg and Al substrates during the casting process. In the paper, an "electropolishing + anodizing" surface treatment has been developed to disrupt the oxide film on a dilute Al-0.08 wt pct Ga alloy, improving the metallurgical bonding between molten Mg and Al substrates in the bimetallic experiments carried out in a high-vacuum test apparatus. The test results provided valuable information of the interfacial phenomena of the Mg/Al bimetallic samples. The results show significantly improved metallurgical bonding in the bimetallic samples with "electropolishing + anodizing" surface treatment and Ga alloying. It is recommended to adjust the pre-heating temperature and time of the Al substrates and the Mg melt temperature to control the interfacial reactions for optimum interfacial properties in the actual overcasting processes.

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

PubMed

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

2018-06-06

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

Interfacial engineering of solution-processed Ni nanochain-SiO{sub x} (x < 2) cermets towards thermodynamically stable, anti-oxidation solar selective absorbers

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

Yu, Xiaobai; Wang, Xiaoxin; Liu, Jifeng, E-mail: Jifeng.Liu@dartmouth.edu

Cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO{sub x} cermet system compared to conventional Ni-Al{sub 2}O{sub 3} system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in this paper, wemore » demonstrate that pre-operation annealing of Ni nanochain-SiO{sub x} cermets at 900 °C in N{sub 2} forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO{sub x} interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N{sub 2} (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO{sub x} interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO{sub x} saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any

Studying interfacial reactions of cholesterol sulfate in an unsaturated phosphatidylglycerol layer with ozone using field induced droplet ionization mass spectrometry.

PubMed

Ko, Jae Yoon; Choi, Sun Mi; Rhee, Young Min; Beauchamp, J L; Kim, Hugh I

2012-01-01

Field-induced droplet ionization (FIDI) is a recently developed ionization technique that can transfer ions from the surface of microliter droplets to the gas phase intact. The air-liquid interfacial reactions of cholesterol sulfate (CholSO(4)) in a 1-palmitoyl-2-oleoyl-sn-phosphatidylglycerol (POPG) surfactant layer with ozone (O(3)) are investigated using field-induced droplet ionization mass spectrometry (FIDI-MS). Time-resolved studies of interfacial ozonolysis of CholSO(4) reveal that water plays an important role in forming oxygenated products. An epoxide derivative is observed as a major product of CholSO(4) oxidation in the FIDI-MS spectrum after exposure of the droplet to O(3) for 5 s. The abundance of the epoxide product then decreases with continued O(3) exposure as the finite number of water molecules at the air-liquid interface becomes exhausted. Competitive oxidation of CholSO(4) and POPG is observed when they are present together in a lipid surfactant layer at the air-liquid interface. Competitive reactions of CholSO(4) and POPG with O(3) suggest that CholSO(4) is present with POPG as a well-mixed interfacial layer. Compared with CholSO(4) and POPG alone, the overall ozonolysis rates of both CholSO(4) and POPG are reduced in a mixed layer, suggesting the double bonds of both molecules are shielded by additional hydrocarbons from one another. Molecular dynamics simulations of a monolayer comprising POPG and CholSO(4) correlate well with experimental observations and provide a detailed picture of the interactions between CholSO(4), lipids, and water molecules in the interfacial region. © American Society for Mass Spectrometry, 2011

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.

Interfacial tension and vapor-liquid equilibria in the critical region of mixtures

NASA Technical Reports Server (NTRS)

Moldover, Michael R.; Rainwater, James C.

1988-01-01

In the critical region, the concept of two-scale-factor universality can be used to accurately predict the surface tension between near-critical vapor and liquid phases from the singularity in the thermodynamic properties of the bulk fluid. In the present work, this idea is generalized to binary mixtures and is illustrated using the data of Hsu et al. (1985) for CO2 + n-butane. The pressure-temperature-composition-density data for coexisting, near-critical phases of the mixtures are fitted with a thermodynamic potential comprised of a sum of a singular term and nonsingular terms. The nonuniversal amplitudes characterizing the singular term for the mixtures are obtained from the amplitudes for the pure components by interpolation in a space of thermodynamic 'field' variables. The interfacial tensions predicted for the mixtures from the singular term are within 10 percent of the data on three isotherms in the pressure range (Pc - P)/Pc of less than 0.5. This difference is comparable to the combined experimental and model errors.

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.

Numerical modeling of mineral dissolution - precipitation kinetics integrating interfacial processes

NASA Astrophysics Data System (ADS)

Azaroual, M. M.

2016-12-01

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

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.

Electromigration effect upon the Sn-0.7 wt% Cu/Ni and Sn-3.5 wt% Ag/Ni interfacial reactions

NASA Astrophysics Data System (ADS)

Chen, Chih-ming; Chen, Sinn-wen

2001-08-01

This study investigates the effect of electromigration upon the interfacial reactions between the promising lead-free solders, Sn-Cu and Sn-Ag, with Ni substrate. Sandwich-type reaction couples, Sn-0.7 wt% Cu/Ni/Sn-0.7 wt% Cu and Sn-3.5 wt% Ag/Ni/Sn-3.5 wt% Ag, were reacted at 160, 180, and 200 °C for various lengths of time with and without the passage of electric currents. Without passage of electric currents through the couples, only one intermetallic compound Ni3Sn4 with ˜7 at. % Cu solubility was found at both interfaces of the Sn-0.7 wt% Cu/Ni couples. With the passage of an electric current of 500 A/cm2 density, the Cu6Sn5 phase was formed at the solder/Ni interface besides the Ni3Sn4 phase. Similar to those without the passage of electric currents, only the Ni3Sn4 phase was found at the Ni/solder interface. Directions of movement of electrons, Sn, and Cu atoms are the same at the solder/Ni interface, and the growth rates of the intermetallic layers were enhanced. At the Ni/solder interface, the electrons flow in the opposite direction of the Sn and Cu movement, and the growth rates of the intermetallic layers were retarded. Only the Ni3Sn4 phase was formed from the Sn-3.5 wt% Ag/Ni interfacial reaction with and without the passage of electric currents. Similar to the Sn-0.7 wt% Cu/Ni system, the movement of electrons enhances or retards the growth rates of the intermetallic layers at the solder/Ni and Ni/solder interfaces, respectively. Calculation results show the apparent effective charge za* decreases in magnitude with raising temperatures, which indicates the electromigration effect becomes insignificant at higher temperatures.

Interfacial functionalization and engineering of nanoparticles

NASA Astrophysics Data System (ADS)

Song, Yang

also of the metal elements in the nanoparticle cores, in contrast to the bulk-exchange counterparts where these distributions were homogeneous within the nanoparticles, as manifested in contact angle, UV--vis, XPS, and TEM measurements. More interestingly, the electrocatalytic performance of the Janus nanoparticles was markedly better than the bulk-exchange ones, suggesting that the segregated distribution of the polar ligands from the apolar ones might further facilitate charge transfer from Ag to Au in the nanoparticle cores, leading to additional improvement of the adsorption and reduction of oxygen. This interfacial protocol was then adopted to prepare trimetallic Ag AuPt Neapolitan nanoparticles by two sequential galvanic exchange reactions of 1-hexanethiolate-capped silver nanoparticles with gold(I)-thiomalic acid and platinum(II)-hexanethiolate complexes. As both reactions were confined to an interface, the Au and Pt elements were situated on two opposite poles of the original Ag nanoparticles, which was clearly manifested in elemental mapping of the nanoparticles, and consistent with the damping and red-shift of the nanoparticle surface plasmon resonance. As nanoscale analogs to conventional amphiphilic molecules, the resulting Janus nanoparticles were found to form oil-in-water micelle-like or water-in-oil reverse micelle-like superparticulate structures depending on the solvent media. These unique characteristics were exploited for the effective transfer of diverse guest nanoparticles between organic and water phase. The transfer of hydrophobic nanoparticles from organic to water media or water-soluble nanoparticles to the organic phase was evidenced by TEM, DLS, UV-Vis, and PL measurements. In particular, line scans based on EDS analysis showed that the vesicle-like structures consisted of multiple layers of the Janus nanoparticles, which encapsulated the guest nanoparticles in the cores. The results highlight the unique effectiveness of using Janus

Molecular dynamics study of interfacial thermal transport between silicene and substrates.

PubMed

Zhang, Jingchao; Hong, Yang; Tong, Zhen; Xiao, Zhihuai; Bao, Hua; Yue, Yanan

2015-10-07

In this work, the interfacial thermal transport across silicene and various substrates, i.e., crystalline silicon (c-Si), amorphous silicon (a-Si), crystalline silica (c-SiO2) and amorphous silica (a-SiO2) are explored by classical molecular dynamics (MD) simulations. A transient pulsed heating technique is applied in this work to characterize the interfacial thermal resistance in all hybrid systems. It is reported that the interfacial thermal resistances between silicene and all substrates decrease nearly 40% with temperature from 100 K to 400 K, which is due to the enhanced phonon couplings from the anharmonicity effect. Analysis of phonon power spectra of all systems is performed to interpret simulation results. Contradictory to the traditional thought that amorphous structures tend to have poor thermal transport capabilities due to the disordered atomic configurations, it is calculated that amorphous silicon and silica substrates facilitate the interfacial thermal transport compared with their crystalline structures. Besides, the coupling effect from substrates can improve the interface thermal transport up to 43.5% for coupling strengths χ from 1.0 to 2.0. Our results provide fundamental knowledge and rational guidelines for the design and development of the next-generation silicene-based nanoelectronics and thermal interface materials.

Stacking the Deck: Leveraging Surface Interactions to Tune Interfacial Electronic Structure

NASA Astrophysics Data System (ADS)

Maughan, Bret; Eads, Calley; Zahl, Percy; Sutter, Peter; Monti, Oliver

We present results from a series of experiments aimed at understanding and controlling molecular interactions in phthalocyanine (Pc) thin-films on Cu(110) to tailor the interfacial electronic structure. Using low-temperature scanning tunneling microscopy (LT-STM), we identify interactions that drive surface-molecule coupling, molecular self-assembly and thin-film order. We provide evidence that interactions with native Cu adatoms play a pivotal role in self-assembly of Pc systems, along with anisotropic nanoribbon growth dynamics, supported by an agent-based kinetic Monte Carlo (AB-KMC) simulation. We show further that self-assembled nanoribbon length can be controlled using surface diffusion barriers and that ordered 2D thin-film growth is promoted by diminishing surface-molecule interactions that otherwise dominate native Cu(110) interfaces. Altogether, this detailed structural understanding allows us to interpret interfacial electronic structure and dynamics, uncovered through ultraviolet (UPS) and two-photon photoemission (2PPE) spectroscopy experiments, in molecular configuration-specific detail. In all, our understanding of interfacial processes guides strategic modifications to both surface and molecule to harness interfacial interactions and thereby modify the collective electronic structure of the interface. NSF No. CHE-1213243 and No. CHE-1565497, Arizona TRIF, DOE/BNL Cntrct No. DE-SC0012704, and DOE No. DE-SC0016343.

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

PubMed

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

2009-07-22

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

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.

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.

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

PubMed Central

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

2009-01-01

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

Phase Transformations and Microstructural Evolution: Part I

DOE PAGES

Clarke, Amy Jean

2015-08-29

The activities of the Phase Transformations Committee of the Materials Processing & Manufacturing Division (MPMD) of The Minerals, Metals & Materials Society (TMS) are oriented toward understanding the fundamental aspects of phase transformations. Emphasis is placed on the thermodynamic driving forces for phase transformations, the kinetics of nucleation and growth, interfacial structures and energies, transformation crystallography, surface reliefs, and, above all, the atomic mechanisms of phase transformations. Phase transformations and microstructural evolution are directly linked to materials processing, properties, and performance, including in extreme environments, of structural metal alloys. In this paper, aspects of phase transformations and microstructural evolution aremore » highlighted from the atomic to the microscopic scale for ferrous and non-ferrous alloys. Many papers from this issue are highlighted with small summaries of their scientific achievements given.« less

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.

Adhesion and interfacial fracture toughness between hard and soft materials

NASA Astrophysics Data System (ADS)

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

2008-11-01

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

TFB:TPDSi2 interfacial layer usable in organic photovoltaic cells

DOEpatents

Marks, Iobin J [Evanston, IL; Hains, Alexander W [Evanston, IL

2011-02-15

The present invention, in one aspect, relates to a solar cell. In one embodiment, the solar cell includes an anode; an active organic layer comprising an electron-donating organic material and an electron-accepting organic material; and an interfacial layer formed between the anode and active organic layer, where the interfacial layer comprises a hole-transporting polymer characterized with a hole-mobility higher than that of the electron-donating organic material in the active organic layer, and a small molecule that has a high hole-mobility and is capable of crosslinking on contact with air.

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.

Simulation studies of phase inversion in agitated vessels using a Monte Carlo technique.

PubMed

Yeo, Leslie Y; Matar, Omar K; Perez de Ortiz, E Susana; Hewitt, Geoffrey F

2002-04-15

A speculative study on the conditions under which phase inversion occurs in agitated liquid-liquid dispersions is conducted using a Monte Carlo technique. The simulation is based on a stochastic model, which accounts for fundamental physical processes such as drop deformation, breakup, and coalescence, and utilizes the minimization of interfacial energy as a criterion for phase inversion. Profiles of the interfacial energy indicate that a steady-state equilibrium is reached after a sufficiently large number of random moves and that predictions are insensitive to initial drop conditions. The calculated phase inversion holdup is observed to increase with increasing density and viscosity ratio, and to decrease with increasing agitation speed for a fixed viscosity ratio. It is also observed that, for a fixed viscosity ratio, the phase inversion holdup remains constant for large enough agitation speeds. The proposed model is therefore capable of achieving reasonable qualitative agreement with general experimental trends and of reproducing key features observed experimentally. The results of this investigation indicate that this simple stochastic method could be the basis upon which more advanced models for predicting phase inversion behavior can be developed.

Interfacial magnetic coupling in hetero-structure of Fe/double-perovskite NdBaMn2O6 single crystal

NASA Astrophysics Data System (ADS)

Lin, W. C.; Tsai, C. L.; Ogawa, K.; Yamada, S.; Gandhi, Ashish C.; Lin, J. G.

2018-04-01

The interfacial magnetic coupling between metallic Fe and the double-perovskite NdBaMn2O6 single crystal was investigated in the heterostructure of 4-nm Pd/10-nm Fe/NdBaMn2O6. A considerable magnetic coupling effect was observed in the temperature range coincident with the magnetic phase transition of NdBaMn2O6. When the temperature was elevated above 270 K, NdBaMn2O6 transformed from a state of antiferromagnetic fluctuating domains to a superparamagnetism-like (ferromagnetic fluctuation) state with high magnetic susceptibility. Concurrently, the interfacial magnetic coupling between the Fe layer and the NdBaMn2O6 crystal was observed, as indicated by the considerable squareness reduction and coercivity enhancement in the Fe layer. Moreover, the presence of the Fe layer changed the magnetic structure of NdBaMn2O6 from conventional 4-fold symmetry to 2-fold symmetry. These observations offer applicable insights into the mutual magnetic interaction in the heterostructures of metallic ferromagnetism/perovskite materials.

Schlieren optical visualization for transient EHD induced flow in a stratified dielectric liquid under gas-phase ac corona discharges

NASA Astrophysics Data System (ADS)

Ohyama, R.; Inoue, K.; Chang, J. S.

2007-01-01

A flow pattern characterization of electrohydrodynamically (EHD) induced flow phenomena of a stratified dielectric fluid situated in an ac corona discharge field is conducted by a Schlieren optical system. A high voltage application to a needle-plate electrode arrangement in gas-phase normally initiates a conductive type EHD gas flow. Although the EHD gas flow motion initiated from the corona discharge electrode has been well known as corona wind, no comprehensive study has been conducted for an EHD fluid flow motion of the stratified dielectric liquid that is exposed to the gas-phase ac corona discharge. The experimentally observed result clearly presents the liquid-phase EHD flow phenomenon induced from the gas-phase EHD flow via an interfacial momentum transfer. The flow phenomenon is also discussed in terms of the gas-phase EHD number under the reduced gas pressure (reduced interfacial momentum transfer) conditions.

Influence of interfacial slip on the suspension rheology of a dilute emulsion of surfactant-laden deformable drops in linear flows

NASA Astrophysics Data System (ADS)

Das, Sayan; Bhattacharjee, Anirban; Chakraborty, Suman

2018-03-01

The present study deals with the effect of interfacial slip on the deformation and emulsion rheology of a dilute suspension of droplets in a linear flow. The droplets are laden with surfactants that are bulk-insoluble and get transported only along the interface. An asymptotic approach is adopted for the present analysis in order to tackle the nonlinearity present due to deformation of droplets. The analysis is carried out for two different limiting scenarios, namely, surface diffusion-dominated-surfactant transport and surface convection-dominated surfactant transport. For either of the limiting cases, we look into the droplet dynamics for two commonly encountered bulk flows—uniaxial extensional and simple shear flow. Under the assumption of negligible fluid inertia in either phase, it is shown that slip at the droplet interface significantly affects the surfactant-induced Marangoni stress and hence droplet deformation and emulsion rheology. The presence of interfacial slip not only brings about a decrease in the droplet deformation but also reduces the effective viscosity of the emulsion. The fall in both droplet deformation and effective viscosity is found to be more severe for the limiting case of surface convection-dominated surfactant transport. For the case of an imposed simple shear flow, the normal stress differences generated due to droplet deformation are affected as well due to the presence of interfacial slip.

Distinct Interfacial Fluorescence in Oil-in-Water Emulsions via Exciton Migration of Conjugated Polymers.

PubMed

Koo, Byungjin; Swager, Timothy M

2017-09-01

Commercial dyes are extensively utilized to stain specific phases for the visualization applications in emulsions and bioimaging. In general, dyes emit only one specific fluorescence signal and thus, in order to stain various phases and/or interfaces, one needs to incorporate multiple dyes and carefully consider their compatibility to avoid undesirable interactions with each other and with the components in the system. Herein, surfactant-type, perylene-endcapped fluorescent conjugated polymers that exhibit two different emissions are reported, which are cyan in water and red at oil-water interfaces. The interfacially distinct red emission results from enhanced exciton migration from the higher-bandgap polymer backbone to the lower-bandgap perylene endgroup. The confocal microscopy images exhibit the localized red emission exclusively from the circumference of oil droplets. This exciton migration and dual fluorescence of the polymers in different physical environments can provide a new concept of visualization methods in many amphiphilic colloidal systems and bioimaging. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

Effect of particle velocity fluctuations on the inertia coupling in two-phase flow

NASA Technical Reports Server (NTRS)

Drew, Donald A.

1989-01-01

Consistent forms for the interfacial force, the interfacial pressure, the Reynolds stresses and the particle stress have been derived for the inviscid, irrotational incompressible flow of fluid in a dilute suspension of spheres. The particles are assumed to have a velocity distribution, giving rise to an effective pressure and stress in the particle phase. The velocity fluctuations also contribute in the fluid Reynolds stress and in the (elastic) stress field inside the spheres. The relation of these constitutive equations to the force on an individual sphere is discussed.

Isonitrile-functionalized ruthenium nanoparticles: intraparticle charge delocalization through Ru=C=N interfacial bonds

NASA Astrophysics Data System (ADS)

Zhang, Fengqi; Huang, Lin; Zou, Jiasui; Yang, Jun; Kang, Xiongwu; Chen, Shaowei

2017-09-01

Ruthenium nanoparticles (2.06 ± 0.46 nm in diameter) stabilized by 1-hexyl-4-isocyanobenzene (CNBH), denoted as RuCNBH, were prepared by the self-assembly of isonitrile molecules onto the surface of "bare" Ru colloids by virtue of the formation of Ru=C=N- interfacial bonds. FTIR measurements showed that the stretching vibration of the terminal -N≡C bonds at 2119 cm-1 for the monomeric ligands disappeared and concurrently three new bands at 2115, 2043, and 1944 cm-1 emerged with RuCNBH nanoparticles, which was ascribed to the transformation of -N≡C to Ru=C=N- by back donation of Ru-d electrons to the π* orbital of the organic ligands. Metathesis reaction of RuCNBH with vinyl derivatives further corroborated the nature of the Ru=C interfacial bonds. When 1-isocyanopyrene (CNPy) was bounded onto the Ru nanoparticles surface through Ru=C=N interfacial bond (denoted as RuCNPy), the emission maximum was found to red-shift by 27 nm, as compared to that of the CNPy monomers, along with a reduced fluorescence lifetime, due to intraparticle charge delocalization that arose from the conjugated Ru=C=N- interfacial bonds. The results of this study further underline the significance of metal-organic interfacial bonds in the control of intraparticle charge-transfer dynamics and the optical and electronic properties of metal nanoparticles. [Figure not available: see fulltext.

Interfacial properties at the organic-metal interface probed using quantum well states

NASA Astrophysics Data System (ADS)

Lin, Meng-Kai; Nakayama, Yasuo; Wang, Chin-Yung; Hsu, Jer-Chia; Pan, Chih-Hao; Machida, Shin-ichi; Pi, Tun-Wen; Ishii, Hisao; Tang, S.-J.

2012-10-01

Using angle-resolved photoemission spectroscopy, we investigated the interfacial properties between the long-chain normal-alkane molecule n-CH3(CH2)42CH3 [tetratetracontane (TTC)] and uniform Ag films using the Ag quantum well states. The entire quantum well state energy band dispersions were observed to shift toward the Fermi level with increasing adsorption coverage of TTC up to 1 monolayer (ML). However, the energy shifts upon deposition of 1 ML of TTC are approximately inversely dependent on the Ag film thickness, indicating a quantum-size effect. In the framework of the pushback and image-force models, we applied the Bohr-Sommerfeld quantization rule with the modified Coulomb image potential for the phase shift at the TTC/Ag interface to extract the dielectric constant for 1 ML of TTC.

Supramolecular Differentiation for Construction of Anisotropic Fullerene Nanostructures by Time-Programmed Control of Interfacial Growth.

PubMed

Bairi, Partha; Minami, Kosuke; Hill, Jonathan P; Nakanishi, Waka; Shrestha, Lok Kumar; Liu, Chao; Harano, Koji; Nakamura, Eiichi; Ariga, Katsuhiko

2016-09-27

Supramolecular assembly can be used to construct a wide variety of ordered structures by exploiting the cumulative effects of multiple noncovalent interactions. However, the construction of anisotropic nanostructures remains subject to some limitations. Here, we demonstrate the preparation of anisotropic fullerene-based nanostructures by supramolecular differentiation, which is the programmed control of multiple assembly strategies. We have carefully combined interfacial assembly and local phase separation phenomena. Two fullerene derivatives, PhH and C12H, were together formed into self-assembled anisotropic nanostructures by using this approach. This technique is applicable for the construction of anisotropic nanostructures without requiring complex molecular design or complicated methodology.

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

NASA Astrophysics Data System (ADS)

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

2016-11-01

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

Moisture effect on interfacial integrity of epoxy-bonded system: a hierarchical approach

NASA Astrophysics Data System (ADS)

Tam, Lik-ho; Lun Chow, Cheuk; Lau, Denvid

2018-01-01

The epoxy-bonded system has been widely used in various applications across different scale lengths. Prior investigations have indicated that the moisture-affected interfacial debonding is the major failure mode of such a system, but the fundamental mechanism remains unknown, such as the basis for the invasion of water molecules in the cross-linked epoxy and the epoxy-bonded interface. This prevents us from predicting the long-term performance of the epoxy-related applications under the effect of the moisture. Here, we use full atomistic models to investigate the response of the epoxy-bonded system towards the adhesion test, and provide a detailed analysis of the interfacial integrity under the moisture effect and the associated debonding mechanism. Molecular dynamics simulations show that water molecules affect the hierarchical structure of the epoxy-bonded system at the nanoscale by disrupting the film-substrate interaction and the molecular interaction within the epoxy, which leads to the detachment of the epoxy thin film, and the final interfacial debonding. The simulation results show good agreement with the experimental results of the epoxy-bonded system. Through identifying the relationship between the epoxy structure and the debonding mechanism at multiple scales, it is shown that the hierarchical structure of the epoxy-bonded system is crucial for the interfacial integrity. In particular, the available space of the epoxy-bonded system, which consists of various sizes ranging from the atomistic scale to the macroscale and is close to the interface facilitates the moisture accumulation, leading to a distinct interfacial debonding when compared to the dry scenario.

Finite volume solution for two-phase flow in a straight capillary

NASA Astrophysics Data System (ADS)

Yelkhovsky, Alexander; Pinczewski, W. Val

2018-04-01

The problem of two-phase flow in straight capillaries of polygonal cross section displays many of the dynamic characteristics of rapid interfacial motions associated with pore-scale displacements in porous media. Fluid inertia is known to be important in these displacements but is usually ignored in network models commonly used to predict macroscopic flow properties. This study presents a numerical model for two-phase flow which describes the spatial and temporal evolution of the interface between the fluids. The model is based on an averaged Navier-Stokes equation and is shown to be successful in predicting the complex dynamics of both capillary rise in round capillaries and imbibition along the corners of polygonal capillaries. The model can form the basis for more realistic network models which capture the effect of capillary, viscous, and inertial forces on pore-scale interfacial dynamics and consequent macroscopic flow properties.

Interfacial layers evolution during annealing in Ti-Al multi-laminated composite processed using hot press and roll bonding

NASA Astrophysics Data System (ADS)

Assari, A. H.; Eghbali, B.

2016-09-01

Ti-Al multi-laminated composites have great potential in high strength and low weight structures. In the present study, tri-layer Ti-Al composite was synthesized by hot press bonding under 40 MPa at 570 °C for 1 h and subsequent hot roll bonding at about 450 °C. This process was conducted in two accumulative passes to 30% and to 67% thickness reduction in initial and final passes, respectively. Then, the final annealing treatments were done at 550, 600, 650, 700 and 750 °C for 2, 4 and 6 h. Investigations on microstructural evolution and thickening of interfacial layers were performed by scanning electron microscopes, energy dispersive spectrometer, X-ray diffraction and micro-hardness tests. The results showed that the thickening of diffusion layers corresponds to amount of deformation. In addition to thickening of the diffusion layers, the thickness of aluminum layers decreased and after annealing treatment at 750 °C for 6 h the aluminum layers were consumed entirely, which occurred because of the enhanced interdiffusion of Ti and Al elements. Scanning electron microscope equipped with energy dispersive spectrometer showed that the sequence of interfacial layers as Ti3Al-TiAl-TiAl2-TiAl3 which are believed to be the result of thermodynamic and kinetic of phase formation. Micro-hardness results presented the variation profile in accordance with the sequence of intermetallic phases and their different structures.

An investigation of two phase flow pressure drops in a reduced acceleration environment

NASA Astrophysics Data System (ADS)

Wheeler, Montgomery W.; Best, Frederick R.; Reinarts, Thomas R.

1993-01-01

Thermal systems for space applications based on two phase flow have several advantages over single phase systems. Two phase thermal energy management and dynamic power conversion system advantages include the capability of achieving high specific power levels. Before two phase systems for space applications can be designed effectively, knowledge of the flow behavior in a reduced acceleration environment is necessary. To meet these needs, two phase flow experiments were conducted aboard the National Aeronautic and Space Administration's KC-135 using R12 as the working fluid. Annular flow two phase pressure drops were measured through 10.41-mm ID 1.251-m long glass tubing during periods with acceleration levels in the range ±0.05 G. The experiments were conducted with emphasis on achieving data with a high level of accuracy. The reduced acceleration annular flow pressure drops were compred with pressure drops measured in a 1-G environment for similar flow conditions. The reduced acceleration pressure drops were found to be 45% greater than the 1-G pressure drops. In addition, the reduced acceleration annular flow interfacial friction factors were compared with models for vertical up-flow in a 1-G environment. The reduced acceleration interfacial friction factor data was not predicted by the 1-G models.

Model colloid system for interfacial sorption kinetics

NASA Astrophysics Data System (ADS)

Salipante, Paul; Hudson, Steven

2014-11-01

Adsorption kinetics of nanometer scale molecules, such as proteins at interfaces, is usually determined through measurements of surface coverage. Their small size limits the ability to directly observe individual molecule behavior. To better understand the behavior of nanometer size molecules and the effect on interfacial kinetics, we use micron size colloids with a weak interfacial interaction potential as a model system. Thus, the interaction strength is comparable to many nanoscale systems (less than 10 kBT). The colloid-interface interaction potential is tuned using a combination of depletion, electrostatic, and gravitational forces. The colloids transition between an entropically trapped adsorbed state and a desorbed state through Brownian motion. Observations are made using an LED-based Total Internal Reflection Microscopy (TIRM) setup. The observed adsorption and desorption rates are compared theoretical predictions based on the measured interaction potential and near wall particle diffusivity. This experimental system also allows for the study of more complex dynamics such as nonspherical colloids and collective effects at higher concentrations.

Solar-Pumping Upconversion of Interfacial Coordination Nanoparticles.

PubMed

Ishii, Ayumi; Hasegawa, Miki

2017-01-30

An interfacial coordination nanoparticle successfully exhibited an upconversion blue emission excited by very low-power light irradiation, such as sunlight. The interfacial complex was composed of Yb ions and indigo dye, which formed a nano-ordered thin shell layer on a Tm 2 O 3 nanoparticle. At the surface of the Tm 2 O 3 particle, the indigo dye can be excited by non-laser excitation at 640 nm, following the intramolecular energy transfer from the indigo dye to the Yb ions. Additionally, the excitation energy of the Yb ion was upconverted to the blue emission of the Tm ion at 475 nm. This upconversion blue emission was achieved by excitation with a CW Xe lamp at an excitation power of 0.14 mW/cm 2 , which is significantly lower than the solar irradiation power of 1.4 mW/cm 2 at 640 ± 5 nm.

Substrate-induced interfacial plasmonics for photovoltaic conversion

PubMed Central

Li, Xinxi; Jia, Chuancheng; Ma, Bangjun; Wang, Wei; Fang, Zheyu; Zhang, Guoqing; Guo, Xuefeng

2015-01-01

Surface plasmon resonance (SPR) is widely used as light trapping schemes in solar cells, because it can concentrate light fields surrounding metal nanostructures and realize light management at the nanoscale. SPR in photovoltaics generally occurs at the metal/dielectric interfaces. A well-defined interface is therefore required to elucidate interfacial SPR processes. Here, we designed a photovoltaic device (PVD) with an atomically flat TiO2 dielectric/dye/graphene/metal nanoparticle (NP) interface for quantitatively studying the SPR enhancement of the photovoltaic conversion. Theoretical and experimental results indicated that the graphene monolayer was transparent to the electromagnetic field. This transparency led to significant substrate-induced plasmonic hybridization at the heterostructure interface. Combined with interparticle plasmonic coupling, the substrate-induced plasmonics concentrated light at the interface and enhanced the photo-excitation of dyes, thus improving the photoelectric conversion. Such a mechanistic understanding of interfacial plasmonic enhancement will further promote the development of efficient plasmon-enhanced solar cells and composite photocatalysts. PMID:26412576

Verification of Methods for Assessing the Sustainability of Monitored Natural Attenuation (MNA)

DTIC Science & Technology

2013-01-01

surface CVOC chlorinated volatile organic compound DCE cis-1,2-Dichloroethylene DNAPL dense non-aqueous phase liquid DO dissolved oxygen DOC...considered detailed representations of aquifer heterogeneity, DNAPL distributions, and interfacial surface area. Thus, the upscaled SZD function considers...the effects of decreases in interfacial surface area with time as NAPL mass depletes, but not in an explicit manner. Likewise, the upscaled model is

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.

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.

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

Interfacial nanobubbles on atomically flat substrates with different hydrophobicities.

PubMed

Wang, Xingya; Zhao, Binyu; Ma, Wangguo; Wang, Ying; Gao, Xingyu; Tai, Renzhong; Zhou, Xingfei; Zhang, Lijuan

2015-04-07

The dependence of the morphology of interfacial nanobubbles on atomically flat substrates with different wettability ranges was investigated by using PeakForce quantitative nanomechanics. Interfacial nanobubbles were formed and imaged on silicon nitride (Si3N4), mica, and highly ordered pyrolytic graphite (HOPG) substrates that were partly covered by reduced graphene oxide (rGO). The contact angles and sizes of those nanobubbles were measured under the same conditions. Nanobubbles with the same lateral width exhibited different heights on the different substrates, with the order Si3N4≈mica>rGO>HOPG, which is consistent with the trend of the hydrophobicity of the substrates. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Interfacial self-healing of nanocomposite hydrogels: Theory and experiment

NASA Astrophysics Data System (ADS)

Wang, Qiming; Gao, Zheming; Yu, Kunhao

2017-12-01

Polymers with dynamic bonds are able to self-heal their fractured interfaces and restore the mechanical strengths. It is largely elusive how to analytically model this self-healing behavior to construct the mechanistic relationship between the self-healing properties (e.g., healed interfacial strength and equilibrium healing time) and the material compositions and healing conditions. Here, we take a self-healable nanocomposite hydrogel as an example to illustrate an interfacial self-healing theory for hydrogels with dynamic bonds. In the theory, we consider the free polymer chains diffuse across the interface and reform crosslinks to bridge the interface. We analytically reveal that the healed strengths of nanocomposite hydrogels increase with the healing time in an error-function-like form. The equilibrium self-healing time of the full-strength recovery decreases with the temperature and increases with the nanoparticle concentration. We further analytically reveal that the healed interfacial strength decreases with increasing delaying time before the healing process. The theoretical results quantitatively match with our experiments on nanosilica hydrogels, and also agree well with other researchers' experiments on nanoclay hydrogels. We expect that this theory would open promising avenues for quantitative understanding of the self-healing mechanics of various polymers with dynamic bonds, and offer insights for designing high-performance self-healing polymers.

Probing Interfacial Processes on Graphene Surface by Mass Detection

NASA Astrophysics Data System (ADS)

Kakenov, Nurbek; Kocabas, Coskun

2013-03-01

In this work we studied the mass density of graphene, probed interfacial processes on graphene surface and examined the formation of graphene oxide by mass detection. The graphene layers were synthesized by chemical vapor deposition method on copper foils and transfer-printed on a quartz crystal microbalance (QCM). The mass density of single layer graphene was measured by investigating the mechanical resonance of the QCM. Moreover, we extended the developed technique to probe the binding dynamics of proteins on the surface of graphene, were able to obtain nonspecific binding constant of BSA protein of graphene surface in aqueous solution. The time trace of resonance signal showed that the BSA molecules rapidly saturated by filling the available binding sites on graphene surface. Furthermore, we monitored oxidation of graphene surface under oxygen plasma by tracing the changes of interfacial mass of the graphene controlled by the shifts in Raman spectra. Three regimes were observed the formation of graphene oxide which increases the interfacial mass, the release of carbon dioxide and the removal of small graphene/graphene oxide flakes. Scientific and Technological Research Council of Turkey (TUBITAK) grant no. 110T304, 109T209, Marie Curie International Reintegration Grant (IRG) grant no 256458, Turkish Academy of Science (TUBA-Gebip).

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

PubMed

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

2015-02-20

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

Interfacial Properties of High-Density Lipoprotein-like Lipid Droplets with Different Lipid and Apolipoprotein A-I Compositions

PubMed Central

Koivuniemi, Artturi; Sysi-Aho, Marko; Orešič, Matej; Ollila, Samuli

2013-01-01

The surface properties of high-density lipoproteins (HDLs) are important because different enzymes bind and carry out their functions at the surface of HDL particles during metabolic processes. However, the surface properties of HDL and other lipoproteins are poorly known because they cannot be directly measured for nanoscale particles with contemporary experimental methods. In this work, we carried out coarse-grained molecular dynamics simulations to study the concentration of core lipids in the surface monolayer and the interfacial tension of droplets resembling HDL particles. We simulated lipid droplets composed of different amounts of phospholipids, cholesterol esters (CEs), triglycerides (TGs), and apolipoprotein A-Is. Our results reveal that the amount of TGs in the vicinity of water molecules in the phospholipid monolayer is 25–50% higher compared to the amount of CEs in a lipid droplet with a mixed core of an equal amount of TG and CE. In addition, the correlation time for the exchange of molecules between the core and the monolayer is significantly longer for TGs compared to CEs. This suggests that the chemical potential of TG is lower in the vicinity of aqueous phase but the free-energy barrier for the translocation between the monolayer and the core is higher compared to CEs. From the point of view of enzymatic modification, this indicates that TG molecules are more accessible from the aqueous phase. Further, our results point out that CE molecules decrease the interfacial tension of HDL-like lipid droplets whereas TG keeps it constant while the amount of phospholipids varies. PMID:23708359