Pore-scale modeling of phase change in porous media

NASA Astrophysics Data System (ADS)

Juanes, Ruben; Cueto-Felgueroso, Luis; Fu, Xiaojing

2017-11-01

One of the main open challenges in pore-scale modeling is the direct simulation of flows involving multicomponent mixtures with complex phase behavior. Reservoir fluid mixtures are often described through cubic equations of state, which makes diffuse interface, or phase field theories, particularly appealing as a modeling framework. What is still unclear is whether equation-of-state-driven diffuse-interface models can adequately describe processes where surface tension and wetting phenomena play an important role. Here we present a diffuse interface model of single-component, two-phase flow (a van der Waals fluid) in a porous medium under different wetting conditions. We propose a simplified Darcy-Korteweg model that is appropriate to describe flow in a Hele-Shaw cell or a micromodel, with a gap-averaged velocity. We study the ability of the diffuse-interface model to capture capillary pressure and the dynamics of vaporization/condensation fronts, and show that the model reproduces pressure fluctuations that emerge from abrupt interface displacements (Haines jumps) and from the break-up of wetting films.

Interfacing the Generalized Fluid System Simulation Program with the SINDA/G Thermal Program

NASA Technical Reports Server (NTRS)

Schallhorn, Paul; Palmiter, Christopher; Farmer, Jeffery; Lycans, Randall; Tiller, Bruce

2000-01-01

A general purpose, one dimensional fluid flow code has been interfaced with the thermal analysis program SINDA/G. The flow code, GFSSP, is capable of analyzing steady state and transient flow in a complex network. The flow code is capable of modeling several physical phenomena including compressibility effects, phase changes, body forces (such as gravity and centrifugal) and mixture thermodynamics for multiple species. The addition of GFSSP to SINDA/G provides a significant improvement in convective heat transfer modeling for SINDA/G. The interface development was conducted in two phases. This paper describes the first (which allows for steady and quasi-steady - unsteady solid, steady fluid - conjugate heat transfer modeling). The second (full transient conjugate heat transfer modeling) phase of the interface development will be addressed in a later paper. Phase 1 development has been benchmarked to an analytical solution with excellent agreement. Additional test cases for each development phase demonstrate desired features of the interface. The results of the benchmark case, three additional test cases and a practical application are presented herein.

Liquid phase stabilization versus bubble formation at a nanoscale curved interface

NASA Astrophysics Data System (ADS)

Schiffbauer, Jarrod; Luo, Tengfei

2018-03-01

We investigate the nature of vapor bubble formation near a nanoscale-curved convex liquid-solid interface using two models: an equilibrium Gibbs model for homogenous nucleation, and a nonequilibrium dynamic van der Waals-diffuse-interface model for phase change in an initially cool liquid. Vapor bubble formation is shown to occur for sufficiently large radius of curvature and is suppressed for smaller radii. Solid-fluid interactions are accounted for and it is shown that liquid-vapor interfacial energy, and hence Laplace pressure, has limited influence over bubble formation. The dominant factor is the energetic cost of creating the solid-vapor interface from the existing solid-liquid interface, as demonstrated via both equilibrium and nonequilibrium arguments.

Thermodynamic Investigation of the Effect of Interface Curvature on the Solid-Liquid Equilibrium and Eutectic Point of Binary Mixtures.

PubMed

Liu, Fanghui; Zargarzadeh, Leila; Chung, Hyun-Joong; Elliott, Janet A W

2017-10-12

Thermodynamic phase behavior is affected by curved interfaces in micro- and nanoscale systems. For example, capillary freezing point depression is associated with the pressure difference between the solid and liquid phases caused by interface curvature. In this study, the thermal, mechanical, and chemical equilibrium conditions are derived for binary solid-liquid equilibrium with a curved solid-liquid interface due to confinement in a capillary. This derivation shows the equivalence of the most general forms of the Gibbs-Thomson and Ostwald-Freundlich equations. As an example, the effect of curvature on solid-liquid equilibrium is explained quantitatively for the water/glycerol system. Considering the effect of a curved solid-liquid interface, a complete solid-liquid phase diagram is developed over a range of concentrations for the water/glycerol system (including the freezing of pure water or precipitation of pure glycerol depending on the concentration of the solution). This phase diagram is compared with the traditional phase diagram in which the assumption of a flat solid-liquid interface is made. We show the extent to which nanoscale interface curvature can affect the composition-dependent freezing and precipitating processes, as well as the change in the eutectic point temperature and concentration with interface curvature. Understanding the effect of curvature on solid-liquid equilibrium in nanoscale capillaries has applications in the food industry, soil science, cryobiology, nanoporous materials, and various nanoscience fields.

A Finite Element Method for Simulation of Compressible Cavitating Flows

NASA Astrophysics Data System (ADS)

Shams, Ehsan; Yang, Fan; Zhang, Yu; Sahni, Onkar; Shephard, Mark; Oberai, Assad

2016-11-01

This work focuses on a novel approach for finite element simulations of multi-phase flows which involve evolving interface with phase change. Modeling problems, such as cavitation, requires addressing multiple challenges, including compressibility of the vapor phase, interface physics caused by mass, momentum and energy fluxes. We have developed a mathematically consistent and robust computational approach to address these problems. We use stabilized finite element methods on unstructured meshes to solve for the compressible Navier-Stokes equations. Arbitrary Lagrangian-Eulerian formulation is used to handle the interface motions. Our method uses a mesh adaptation strategy to preserve the quality of the volumetric mesh, while the interface mesh moves along with the interface. The interface jump conditions are accurately represented using a discontinuous Galerkin method on the conservation laws. Condensation and evaporation rates at the interface are thermodynamically modeled to determine the interface velocity. We will present initial results on bubble cavitation the behavior of an attached cavitation zone in a separated boundary layer. We acknowledge the support from Army Research Office (ARO) under ARO Grant W911NF-14-1-0301.

A Gas-Kinetic Method for Hyperbolic-Elliptic Equations and Its Application in Two-Phase Fluid Flow

NASA Technical Reports Server (NTRS)

Xu, Kun

1999-01-01

A gas-kinetic method for the hyperbolic-elliptic equations is presented in this paper. In the mixed type system, the co-existence and the phase transition between liquid and gas are described by the van der Waals-type equation of state (EOS). Due to the unstable mechanism for a fluid in the elliptic region, interface between the liquid and gas can be kept sharp through the condensation and evaporation process to remove the "averaged" numerical fluid away from the elliptic region, and the interface thickness depends on the numerical diffusion and stiffness of the phase change. A few examples are presented in this paper for both phase transition and multifluid interface problems.

Interfacing a General Purpose Fluid Network Flow Program with the SINDA/G Thermal Analysis Program

NASA Technical Reports Server (NTRS)

Schallhorn, Paul; Popok, Daniel

1999-01-01

A general purpose, one dimensional fluid flow code is currently being interfaced with the thermal analysis program Systems Improved Numerical Differencing Analyzer/Gaski (SINDA/G). The flow code, Generalized Fluid System Simulation Program (GFSSP), is capable of analyzing steady state and transient flow in a complex network. The flow code is capable of modeling several physical phenomena including compressibility effects, phase changes, body forces (such as gravity and centrifugal) and mixture thermodynamics for multiple species. The addition of GFSSP to SINDA/G provides a significant improvement in convective heat transfer modeling for SINDA/G. The interface development is conducted in multiple phases. This paper describes the first phase of the interface which allows for steady and quasi-steady (unsteady solid, steady fluid) conjugate heat transfer modeling.

Energy-Efficient Phase-Change Memory with Graphene as a Thermal Barrier.

PubMed

Ahn, Chiyui; Fong, Scott W; Kim, Yongsung; Lee, Seunghyun; Sood, Aditya; Neumann, Christopher M; Asheghi, Mehdi; Goodson, Kenneth E; Pop, Eric; Wong, H-S Philip

2015-10-14

Phase-change memory (PCM) is an important class of data storage, yet lowering the programming current of individual devices is known to be a significant challenge. Here we improve the energy-efficiency of PCM by placing a graphene layer at the interface between the phase-change material, Ge2Sb2Te5 (GST), and the bottom electrode (W) heater. Graphene-PCM (G-PCM) devices have ∼40% lower RESET current compared to control devices without the graphene. This is attributed to the graphene as an added interfacial thermal resistance which helps confine the generated heat inside the active PCM volume. The G-PCM achieves programming up to 10(5) cycles, and the graphene could further enhance the PCM endurance by limiting atomic migration or material segregation at the bottom electrode interface.

Indirect measurement of the solid/liquid interface using the minimization technique

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

Choi, H.; Chun, M.

1985-11-01

The phenomenon of solidification of a flowing fluid in a vertical tube is closely related to the relocation dynamics of molten nuclear fuels in hypothetical core-disruptive accidents of a liquid-metal fast breeder reactor. The knowledge of the transient shape and the position of the liquid/solid interface is of practical importance in analysis of phase change processes. Sparrow and Broadbent directly measured the solid liquid interface via experiments, whereas Viskanta observed the solid/liquid interface motion via a photographic method. In this paper, a new method to predict the transient position of the solid/liquid interface is developed. This method is based onmore » the minimization technique. To use this method one needs the temperature of the wall on which the phase change is to take place. The new technique is useful, in particular, for the case of inward solidification of a flowing fluid in a tube where direct measurement of the solid/liquid interface is not possible, whereas the tube wall temperature measurement is relatively easy.« less

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

A nonlocal species concentration theory for diffusion and phase changes in electrode particles of lithium ion batteries

NASA Astrophysics Data System (ADS)

Zhang, Tao; Kamlah, Marc

2018-01-01

A nonlocal species concentration theory for diffusion and phase changes is introduced from a nonlocal free energy density. It can be applied, say, to electrode materials of lithium ion batteries. This theory incorporates two second-order partial differential equations involving second-order spatial derivatives of species concentration and an additional variable called nonlocal species concentration. Nonlocal species concentration theory can be interpreted as an extension of the Cahn-Hilliard theory. In principle, nonlocal effects beyond an infinitesimal neighborhood are taken into account. In this theory, the nonlocal free energy density is split into the penalty energy density and the variance energy density. The thickness of the interface between two phases in phase segregated states of a material is controlled by a normalized penalty energy coefficient and a characteristic interface length scale. We implemented the theory in COMSOL Multiphysics^{circledR } for a spherically symmetric boundary value problem of lithium insertion into a Li_xMn_2O_4 cathode material particle of a lithium ion battery. The two above-mentioned material parameters controlling the interface are determined for Li_xMn_2O_4 , and the interface evolution is studied. Comparison to the Cahn-Hilliard theory shows that nonlocal species concentration theory is superior when simulating problems where the dimensions of the microstructure such as phase boundaries are of the same order of magnitude as the problem size. This is typically the case in nanosized particles of phase-separating electrode materials. For example, the nonlocality of nonlocal species concentration theory turns out to make the interface of the local concentration field thinner than in Cahn-Hilliard theory.

Bi-directional phase transition of Cu/6H-SiC(0 0 0 1) system discovered by positron beam study

NASA Astrophysics Data System (ADS)

Zhang, J. D.; Weng, H. M.; Shan, Y. Y.; Ching, H. M.; Beling, C. D.; Fung, S.; Ling, C. C.

2002-06-01

The slow positron beam facility at the University of Hong Kong has been used to study the Cu/6H-SiC(0 0 0 1) system. The S- E data show the presence of the Cu/SiC interface buried at a depth of 30 nm. Keeping the beam energy fixed and sweeping the sample temperature, sharp discontinuities are noted in the S-parameter at both ˜17 and ˜250 K. The S-parameter transitions, which are in opposite directions, are indicative of sharp free volume changes that come as a result of the sudden changes in the structure at the Cu/SiC interface accompanying some phase transition. Energy dispersive X-ray spectroscopy (EDXS) room temperature scans reveal the presence of O in addition to Cu, C, Si at the interface, and thus copper oxide phases should be considered in interpreting this new phenomenon. It is suggested that TEM investigation together with temperature dependent X-ray diffraction spectroscopy may be able to shed further light on the nature of this interesting bi-directional phase transition.

Level set immersed boundary method for gas-liquid-solid interactions with phase-change

NASA Astrophysics Data System (ADS)

Dhruv, Akash; Balaras, Elias; Riaz, Amir; Kim, Jungho

2017-11-01

We will discuss an approach to simulate the interaction between two-phase flows with phase changes and stationary/moving structures. In our formulation, the Navier-Stokes and heat advection-diffusion equations are solved on a block-structured grid using adaptive mesh refinement (AMR) along with sharp jump in pressure, velocity and temperature across the interface separating the different phases. The jumps are implemented using a modified Ghost Fluid Method (Lee et al., J. Comput. Physics, 344:381-418, 2017), and the interface is tracked with a level set approach. Phase transition is achieved by calculating mass flux near the interface and extrapolating it to the rest of the domain using a Hamilton-Jacobi equation. Stationary/moving structures are simulated with an immersed boundary formulation based on moving least squares (Vanella & Balaras, J. Comput. Physics, 228:6617-6628, 2009). A variety of canonical problems involving vaporization, film boiling and nucleate boiling is presented to validate the method and demonstrate the its formal accuracy. The robustness of the solver in complex problems, which are crucial in efficient design of heat transfer mechanisms for various applications, will also be demonstrated. Work supported by NASA, Grant NNX16AQ77G.

Visualization of the equilibrium position of colloidal particles at fluid-water interfaces by deposition of nanoparticles

NASA Astrophysics Data System (ADS)

Sabapathy, Manigandan; Kollabattula, Viswas; Basavaraj, Madivala G.; Mani, Ethayaraja

2015-08-01

We present a general yet simple method to measure the contact angle of colloidal particles at fluid-water interfaces. In this method, the particles are spread at the required fluid-water interface as a monolayer. In the water phase a chemical reaction involving reduction of a metal salt such as aurochloric acid is initiated. The metal grows as a thin film or islands of nanoparticles on the particle surface exposed to the water side of the interface. Analyzing the images of particles by high resolution scanning microscopy (HRSEM), we trace the three phase contact line up to which deposition of the metal film occurs. From geometrical relations, the three phase contact angle is then calculated. We report the measurements of the contact angle of silica and polystyrene (PS) particles at different interfaces such as air-water, decane-water and octanol-water. We have also applied this method to measure the contact angle of surfactant treated polystyrene particles at the air-water interface, and we find a non-monotonic change of the contact angle with the concentration of the surfactant. Our results are compared with the well-known gel trapping technique and we find good comparison with previous measurements.We present a general yet simple method to measure the contact angle of colloidal particles at fluid-water interfaces. In this method, the particles are spread at the required fluid-water interface as a monolayer. In the water phase a chemical reaction involving reduction of a metal salt such as aurochloric acid is initiated. The metal grows as a thin film or islands of nanoparticles on the particle surface exposed to the water side of the interface. Analyzing the images of particles by high resolution scanning microscopy (HRSEM), we trace the three phase contact line up to which deposition of the metal film occurs. From geometrical relations, the three phase contact angle is then calculated. We report the measurements of the contact angle of silica and polystyrene (PS) particles at different interfaces such as air-water, decane-water and octanol-water. We have also applied this method to measure the contact angle of surfactant treated polystyrene particles at the air-water interface, and we find a non-monotonic change of the contact angle with the concentration of the surfactant. Our results are compared with the well-known gel trapping technique and we find good comparison with previous measurements. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr03369a

Comparative study of solute trapping and Gibbs free energy changes at the phase interface during alloy solidification under local nonequilibrium conditions

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

Sobolev, S. L., E-mail: sobolev@icp.ac.ru

An analytical model has been developed to describe the influence of solute trapping during rapid alloy solidification on the components of the Gibbs free energy change at the phase interface with emphasis on the solute drag energy. For relatively low interface velocity V < V{sub D}, where V{sub D} is the characteristic diffusion velocity, all the components, namely mixing part, local nonequilibrium part, and solute drag, significantly depend on solute diffusion and partitioning. When V ≥ V{sub D}, the local nonequilibrium effects lead to a sharp transition to diffusionless solidification. The transition is accompanied by complete solute trapping and vanishingmore » solute drag energy, i.e. partitionless and “dragless” solidification.« less

Nanophase change for data storage applications.

PubMed

Shi, L P; Chong, T C

2007-01-01

Phase change materials are widely used for date storage. The most widespread and important applications are rewritable optical disc and Phase Change Random Access Memory (PCRAM), which utilizes the light and electric induced phase change respectively. For decades, miniaturization has been the major driving force to increase the density. Now the working unit area of the current data storage media is in the order of nano-scale. On the nano-scale, extreme dimensional and nano-structural constraints and the large proportion of interfaces will cause the deviation of the phase change behavior from that of bulk. Hence an in-depth understanding of nanophase change and the related issues has become more and more important. Nanophase change can be defined as: phase change at the scale within nano range of 100 nm, which is size-dependent, interface-dominated and surrounding materials related. Nanophase change can be classified into two groups, thin film related and structure related. Film thickness and clapping materials are key factors for thin film type, while structure shape, size and surrounding materials are critical parameters for structure type. In this paper, the recent development of nanophase change is reviewed, including crystallization of small element at nano size, thickness dependence of crystallization, effect of clapping layer on the phase change of phase change thin film and so on. The applications of nanophase change technology on data storage is introduced, including optical recording such as super lattice like optical disc, initialization free disc, near field, super-RENS, dual layer, multi level, probe storage, and PCRAM including, superlattice-like structure, side edge structure, and line type structure. Future key research issues of nanophase change are also discussed.

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013), 10.1103/PhysRevE.88.013304] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Consistent simulation of droplet evaporation based on the phase-field multiphase lattice Boltzmann method.

PubMed

Safari, Hesameddin; Rahimian, Mohammad Hassan; Krafczyk, Manfred

2014-09-01

In the present article, we extend and generalize our previous article [H. Safari, M. H. Rahimian, and M. Krafczyk, Phys. Rev. E 88, 013304 (2013)] to include the gradient of the vapor concentration at the liquid-vapor interface as the driving force for vaporization allowing the evaporation from the phase interface to work for arbitrary temperatures. The lattice Boltzmann phase-field multiphase modeling approach with a suitable source term, accounting for the effect of the phase change on the velocity field, is used to solve the two-phase flow field. The modified convective Cahn-Hilliard equation is employed to reconstruct the dynamics of the interface topology. The coupling between the vapor concentration and temperature field at the interface is modeled by the well-known Clausius-Clapeyron correlation. Numerous validation tests including one-dimensional and two-dimensional cases are carried out to demonstrate the consistency of the presented model. Results show that the model is able to predict the flow features around and inside an evaporating droplet quantitatively in quiescent as well as convective environments.

Phase transition detection by surface photo charge effect in liquid crystals

NASA Astrophysics Data System (ADS)

Ivanov, O.; Petrov, M.; Naradikian, H.; Perez-Diaz, J. L.

2018-05-01

The surface photo charge effect (SPCE) was applied for the first time at structure and phase transitions study of hydrogen bonded in dimer liquid crystals (HBDLCs). Due to the high sensitivity of this method, besides first-order phase transitions, characteristic for the p,n-octyloxibenzoic acids (8OBA), an order transition was definitely detected within the nematic range. We state that the SPCE, arising at the solid-HBDLCs interface due to the double electrical layer, is invariably concomitant with solid surface-liquid interfaces, and indicates that the changes of the characteristics of this layer, under incident optical irradiation, induce surface charge rearrangement and alternating potential difference. A mechanism of induction of the SPCE at the interface of solid surface-anisotropic liquids is proposed. We also indicate that this mechanism can be adapted for solid surface-isotropic liquid interface, including colloids (milk) and fog (aerosols)-condensed medium.

Microstructural and Phase Composition Differences Across the Interfaces in Al/Ti/Al Explosively Welded Clads

NASA Astrophysics Data System (ADS)

Fronczek, Dagmara Malgorzata; Chulist, Robert; Litynska-Dobrzynska, Lidia; Lopez, Gabriel Alejandro; Wierzbicka-Miernik, Anna; Schell, Norbert; Szulc, Zygmunt; Wojewoda-Budka, Joanna

2017-09-01

The microstructure and phase composition of Al/Ti/Al interfaces with respect to their localization were investigated. An aluminum-flyer plate exhibited finer grains located close to the upper interface than those present within the aluminum-base plate. The same tendency, but with a higher number of twins, was observed for titanium. Good quality bonding with a wavy shape and four intermetallic phases, namely, TiAl3, TiAl, TiAl2, and Ti3Al, was only obtained at the interface closer to the explosive material. The other interface was planar with three intermetallic compounds, excluding the metastable TiAl2 phase. As a result of a 100-hour annealing at 903 K (630 °C), an Al/TiAl3/Ti/TiAl3/Al sandwich was manufactured, formed with single crystalline Al layers. A substantial difference between the intermetallic layer thicknesses was measured, with 235.3 and 167.4 µm obtained for the layers corresponding to the upper and lower interfaces, respectively. An examination by transmission electron microscopy of a thin foil taken from the interface area after a 1-hour annealing at 825 K (552 °C) showed a mixture of randomly located TiAl3 grains within the aluminum. Finally, the hardness results were correlated with the microstructural changes across the samples.

Numerical simulation of phase transition problems with explicit interface tracking

DOE PAGES

Hu, Yijing; Shi, Qiangqiang; de Almeida, Valmor F.; ...

2015-12-19

Phase change is ubiquitous in nature and industrial processes. Started from the Stefan problem, it is a topic with a long history in applied mathematics and sciences and continues to generate outstanding mathematical problems. For instance, the explicit tracking of the Gibbs dividing surface between phases is still a grand challenge. Our work has been motivated by such challenge and here we report on progress made in solving the governing equations of continuum transport in the presence of a moving interface by the front tracking method. The most pressing issue is the accounting of topological changes suffered by the interfacemore » between phases wherein break up and/or merge takes place. The underlying physics of topological changes require the incorporation of space-time subscales not at reach at the moment. Therefore we use heuristic geometrical arguments to reconnect phases in space. This heuristic approach provides new insight in various applications and it is extensible to include subscale physics and chemistry in the future. We demonstrate the method on applications such as simulating freezing, melting, dissolution, and precipitation. The later examples also include the coupling of the phase transition solution with the Navier-Stokes equations for the effect of flow convection.« less

Slippery interfaces: lubrication of director and helix rotation motions (Conference Presentation)

NASA Astrophysics Data System (ADS)

Yamamoto, Jun; Sakatsuji, Waki; Nishiyama, Isa

2017-02-01

Anchoring effects on the polymer films in the liquid crystal (LC) display devices plays key role to create the restoring force to the black state. However, the chiral materials with spontaneous helix, such as deformed helix mode in SmC* (DH-FLC) or the polymer stabilized blue phase (PSChBP), can recover black state by rewinding motion of the helix itself. We have invented the principle and design of slippery interfaces, which has zero anchoring force for attached LC molecules on the interfaces, and confirmed the drastic reduction of driving voltage in DH-FLC mode of SmC* (<1 order) keeping the fast switching response (tau 50 micro sec). We have reported the lateral slippery interfaces consist of the phase separated liquid phases created by tran-cis isomerization of doped azo dye. It is not enough to the complete transmission of the light(I/I0 1) by applying the typical driving voltage ( 1.0V/micro m) for current IPS panels. It is also problem that slippery interface become effective only just below the I-SmC phase transition temperature (TIC-T<20°). Here, we report new type of the vertical slippery interface realized by the spin coated swollen azo-LC gel films on the glass substrates. Under UV irradiation, trans-cis isomerization of the azo-dye co-polymerized in the azo-LC gel film, induces the vertical slippery interfaces by the disordering effect. Since the co-polymerized azo-dye cannot be dissolved into LC, the disordering effect is completely localized in the interface between swollen azo-LC gel and bulk SmC* material. Then the slippery interfaces can be stabilized over wide temperature range. We greatly improve the reduction of the driving voltage, I/Io=1, 1.0V/micro m for rather slow change of the driving voltage (tau 1msec 2.5msec pulse), I/I0=0.6, 1.5V/micro m for fast change (tau 50 micro sec, 250 micro sec pulse) by lubrication of intra and inter helix C-director rotation motions.

Activity and Stability of (Pr 1-xNd x) 2NiO 4 as Cathodes for Solid Oxide Fuel Cells: Part V. In Situ Studies of Phase Evolution

DOE PAGES

Dogdibegovic, Emir; Alabri, Nawf S.; Wright, Christopher J.; ...

2017-08-12

This study is to complement an early report (the manuscript is attached for review purpose) on the role of interlayer on activity and performance stability in praseodymium nickelates. The aforementioned report showed a remarkable 48% increase in power density while switching from common GDC interlayer to a new interlayer chemistry (PGCO). Furthermore, a stable long-term performance was linked with suppressed reaction between the cathode and PGCO interlayer. In this article, we report in situ studies of the phase evolution. The high energy XRD studies at a synchrotron source showed fully suppressed phase transition in praseodymium nickelates with PGCO interlayer, whilemore » the electrodes on the GDC interlayer undergo substantial phase transformation. Furthermore, in operando and post-test XRD analyses shown fully suppressed structural changes in electrodes operated in full cells at 750°C and 0.80 V for 500 hours. SEM-EDS analysis showed that the formation of PrO x at the cathode-interlayer interface may play a role in a decrease of mechanical integrity of the interfaces, due to thermal expansion mismatch, leading to a local stress between the two phases. Furthermore, phase evolution at a narrow interface may propagate toward the electrode bulk, leading to structural changes Q1 and performance degradation.« less

Activity and Stability of (Pr 1-xNd x) 2NiO 4 as Cathodes for Solid Oxide Fuel Cells: Part V. In Situ Studies of Phase Evolution

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

Dogdibegovic, Emir; Alabri, Nawf S.; Wright, Christopher J.

This study is to complement an early report (the manuscript is attached for review purpose) on the role of interlayer on activity and performance stability in praseodymium nickelates. The aforementioned report showed a remarkable 48% increase in power density while switching from common GDC interlayer to a new interlayer chemistry (PGCO). Furthermore, a stable long-term performance was linked with suppressed reaction between the cathode and PGCO interlayer. In this article, we report in situ studies of the phase evolution. The high energy XRD studies at a synchrotron source showed fully suppressed phase transition in praseodymium nickelates with PGCO interlayer, whilemore » the electrodes on the GDC interlayer undergo substantial phase transformation. Furthermore, in operando and post-test XRD analyses shown fully suppressed structural changes in electrodes operated in full cells at 750°C and 0.80 V for 500 hours. SEM-EDS analysis showed that the formation of PrO x at the cathode-interlayer interface may play a role in a decrease of mechanical integrity of the interfaces, due to thermal expansion mismatch, leading to a local stress between the two phases. Furthermore, phase evolution at a narrow interface may propagate toward the electrode bulk, leading to structural changes Q1 and performance degradation.« less

Sequence control of phase separation and dewetting in PS/PVME blend thin films by changing molecular weight of PS.

PubMed

Xia, Tian; Qin, Yaping; Huang, Yajiang; Huang, Ting; Xu, Jianhui; Li, Youbing

2016-11-28

The morphology evolution mechanism of polystyrene (PS)/poly (vinyl methyl ether) (PVME) blend thin films with different PS molecular weights (M w ) was studied. It was found that the morphology evolution was closely related to the molecular weight asymmetry between PS and PVME. In the film where M w (PS) ≈ M w (PVME), dewetting happened at the interface between the bottom layer and substrate after SD phase separation. While in the film where M w (PS) > M w (PVME), dewetting happened at the interface between the middle PS/PVME blend layer and bottom PVME layer near the substrate prior to phase separation. The different sequences of phase separation and dewetting and different interface for dewetting occurrence were studied by regarding the competitive effects of viscoelasticity contrast between polymer components and preferential wetting between PVME and the substrate. The viscoelastic nature of the PS component played a crucial role in the sequence of phase separation and dewetting.

Valley Phase and Voltage Control of Coherent Manipulation in Si Quantum Dots.

PubMed

Zimmerman, Neil M; Huang, Peihao; Culcer, Dimitrie

2017-07-12

With any roughness at the interface of an indirect-bandgap semiconducting dot, the phase of the valley-orbit coupling can take on a random value. This random value, in double quantum dots, causes a large change in the exchange splitting. We demonstrate a simple analytical method to calculate the phase, and thus the exchange splitting and singlet-triplet qubit frequency, for an arbitrary interface. We then show that, with lateral control of the position of a quantum dot using a gate voltage, the valley-orbit phase can be controlled over a wide range, so that variations in the exchange splitting can be controlled for individual devices. Finally, we suggest experiments to measure the valley phase and the concomitant gate voltage control.

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.

Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

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

Kumah, D. P.; Dogan, M.; Ngai, J. H.

Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

Engineered Unique Elastic Modes at a BaTiO 3 / ( 2 × 1 ) - Ge ( 001 ) Interface

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

Kumah, D. P.; Dogan, M.; Ngai, J. H.

The strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO3. While the complex crystal structure is predicted using first-principles theory, it is further shown that the details of themore » structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO3 induced by the symmetry of forces exerted by the germanium substrate.« less

Engineered unique elastic modes at a BaTiO 3/2x1-Ge(001) interface

DOE PAGES

Kumah, D. P.; Dogan, M.; Ngai, J. H.; ...

2016-03-07

Here, the strong interaction at an interface between a substrate and thin film leads to epitaxy and provides a means of inducing structural changes in the epitaxial film. These induced material phases often exhibit technologically relevant electronic, magnetic, and functional properties. The 2×1 surface of a Ge(001) substrate applies a unique type of epitaxial constraint on thin films of the perovskite oxide BaTiO 3 where a change in bonding and symmetry at the interface leads to a non-bulk-like crystal structure of the BaTiO 3. While the complex crystal structure is predicted using first-principles theory, it is further shown that themore » details of the structure are a consequence of hidden phases found in the bulk elastic response of the BaTiO 3 induced by the symmetry of forces exerted by the germanium substrate.« less

Heat transfer of phase-change materials in two-dimensional cylindrical coordinates

NASA Technical Reports Server (NTRS)

Labdon, M. B.; Guceri, S. I.

1981-01-01

Two-dimensional phase-change problem is numerically solved in cylindrical coordinates (r and z) by utilizing two Taylor series expansions for the temperature distributions in the neighborhood of the interface location. These two expansions form two polynomials in r and z directions. For the regions sufficiently away from the interface the temperature field equations are numerically solved in the usual way and the results are coupled with the polynomials. The main advantages of this efficient approach include ability to accept arbitrarily time dependent boundary conditions of all types and arbitrarily specified initial temperature distributions. A modified approach using a single Taylor series expansion in two variables is also suggested.

Noninvasive method for determining the liquid level and density inside of a container

DOEpatents

Sinha, Dipen N.

2000-01-01

Noninvasive method for determining the liquid level and density inside of a container having arbitrary dimension and shape. By generating a flexural acoustic wave in the container shell and measuring the phase difference of the detected flexural wave from that of the originally generated wave a small distance from the generated wave, while moving the generation and detection means through the liquid/vapor interface, this interface can be detected. Both the wave generation and wave detection may be achieved by transducers on the surface of the container. A change in the phase difference over the outer surface of the vessel signifies that a liquid/vapor interface has been crossed, while the magnitude of the phase difference can be related to fluid density immediately opposite the measurement position on the surface of the vessel.

Tuning Interfacial Properties and Processes by Controlling the Rheology and Structure of Poly( N-isopropylacrylamide) Particles at Air/Water Interfaces.

PubMed

Maestro, Armando; Jones, Daniel; Sánchez de Rojas Candela, Carmen; Guzman, Eduardo; Duits, Michel H G; Cicuta, Pietro

2018-06-05

By combining controlled experiments on single interfaces with measurements on solitary bubbles and liquid foams, we show that poly( N-isopropylacrylamide) (PNIPAM) microgels assembled at air/water interfaces exhibit a solid to liquid transition changing the temperature, and that this is associated with the change in the interfacial microstructure of the PNIPAM particles around their volume phase transition temperature. We show that the solid behaves as a soft 2D colloidal glass, and that the existence of this solid/liquid transition offers an ideal platform to tune the permeability of air bubbles covered by PNIPAM and to control macroscopic foam properties such as drainage, stability, and foamability. PNIPAM particles on fluid interfaces allow new tunable materials, for example foam structures with variable mechanical properties upon small temperature changes.

Dielectric relaxation spectroscopy shows a sparingly hydrated interface and low counterion mobility in triflate micelles.

PubMed

Lima, Filipe S; Chaimovich, Hernan; Cuccovia, Iolanda M; Buchner, Richard

2013-08-13

The properties of ionic micelles are affected by the nature of the counterion. Specific ion effects can be dramatic, inducing even shape and phase changes in micellar solutions, transitions apparently related to micellar hydration and counterion binding at the micellar interface. Thus, determining the hydration and dynamics of ions in micellar systems capable of undergoing such transitions is a crucial step in understanding shape and phase changes. For cationic micelles, such transitions are common with large organic anions as counterions. Interestingly, however, phase separation also occurs for dodecyltrimethylammonium triflate (DTATf) micelles in the presence of sodium triflate (NaTf). Specific ion effects for micellar solutions of dodecyltrimethylammonium chloride (DTAC), bromide (DTAB), methanesulfonate (DTAMs), and triflate (DTATf) were studied with dielectric relaxation spectroscopy (DRS), a technique capable of monitoring hydration and counterion dynamics of micellar aggregates. In comparison to DTAB, DTAC, and DTAMs, DTATf micelles were found to be considerably less hydrated and showed reduced counterion mobility at the micellar interface. The obtained DTATf and DTAMs data support the reported central role of the anion's -CF3 moiety with respect to the properties of DTATf micelles. The reduced hydration observed for DTATf micelles was rationalized in terms of the higher packing of this surfactant compared to that of other DTA-based systems. The decreased mobility of Tf(-) anions condensed at the DTATf interface strongly suggests the insertion of Tf(-) in the micellar interface, which is apparently driven by the strong hydrophobicity of -CF3.

Silicon/HfO{sub 2} interface: Effects of gamma irradiation

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

Maurya, Savita

2016-05-23

Quality of MOS devices is a strong function of substrate and oxide interface. In this work we have studied how gamma photon irradiation affects the interface of a 13 nm thick, atomic layer deposited hafnium dioxide deposited on silicon wafer. CV and GV measurements have been done for pristine and irradiated samples to quantify the effect of gamma photon irradiation. Gamma photon irradiation not only introduces positive charge in the oxide and at the interface of Si/HfO{sub 2} interface but also induce phase change of oxide layer. Maximum oxide capacitances are affected by gamma photon irradiation.

Irradiation-induced formation of a spinel phase at the FeCr/MgO interface

DOE PAGES

Xu, Yun; Yadav, Satyesh Kumar; Aguiar, Jeffery A.; ...

2015-04-27

Oxide dispersion strengthened ferritic/martensitic alloys have attracted significant attention for their potential uses in future nuclear reactors and storage vessels, as the metal/oxide interfaces act as stable high-strength sinks for point defects while also dispersing helium. Here, in order to unravel the evolution and interplay of interface structure and chemistry upon irradiation in these types of materials, an atomically sharp FeCr/MgO interface was synthesized at 500 °C and separately annealed and irradiated with Ni 3+ ions at 500 °C. After annealing, a slight enrichment of Cr atoms was observed at the interface, but no other structural changes were found. However,more » under irradiation, sufficient Cr diffuses across the interface into the MgO to form a Cr-enriched transition layer that contains spinel precipitates. First-principles calculations indicate that it is energetically favorable to incorporate Cr, but not Fe, substitutionally into MgO. Furthermore, our results indicate that irradiation can be used to form new phases and complexions at interfaces, which may have different radiation tolerance than the pristine structures.« less

A continuum theoretical model and finite elements simulation of bacterial flagellar filament phase transition.

PubMed

Wang, Xiaoling; Meng, Shuo; Han, Jingshi

2017-10-03

The Bacterial flagellar filament can undergo a polymorphic phase transition in response to both mechanical and chemical variations in vitro and in vivo environments. Under mechanical stimuli, such as viscous flow or forces induced by motor rotation, the filament changes its phase from left-handed normal (N) to right-handed semi-coiled (SC) via phase nucleation and growth. Our detailed mechanical analysis of existing experiments shows that both torque and bending moment contribute to the filament phase transition. In this paper, we establish a non-convex and non-local continuum model based on the Ginzburg-Landau theory to describe main characteristics of the filament phase transition such as new-phase nucleation, growth, propagation and the merging of neighboring interfaces. The finite element method (FEM) is adopted to simulate the phase transition under a displacement-controlled loading condition (rotation angle and bending deflection). We show that new-phase nucleation corresponds to the maximum torque and bending moment at the stuck end of the filament. The hysteresis loop in the loading and unloading curves indicates energy dissipation. When the new phase grows and propagates, torque and bending moment remain static. We also find that there is a drop in load when the two interfaces merge, indicating a concomitant reduction in the interfacial energy. Finally, the interface thickness is governed by the coefficients of the gradient of order parameters in the non-local interface energy. Our continuum theory and the finite element method provide a method to study the mechanical behavior of such biomaterials. Copyright © 2017 Elsevier Ltd. All rights reserved.

Two-Phase Eutectic Growth in Al-Cu and Al-Cu-Ag

NASA Astrophysics Data System (ADS)

Senninger, Oriane; Peters, Matthew; Voorhees, Peter W.

2018-02-01

The microstructure developed by two-phase lamellar eutectics (α ) -(θ {-Al}2{Cu}) in Al-Cu and Al-Cu-Ag alloys is analyzed. A model of two-phase eutectic growth in multicomponent alloys is used to determine the scaling law of the eutectic microstructure using the alloy thermophysical properties. The application of the model to these alloys shows that the addition of Ag to Al-Cu alloys does not significantly change the length scale of the microstructure, which is in agreement with previous experimental studies. This is explained by the combined phenomena of the decrease in interface energies with the addition of Ag and the superheating of the (α ) phase interface induced by the Ag composition profile.

Temperature Dependence of Behavior of Interface Between Molten Sn and LiCl-KCl Eutectic Melt Due to Rising Gas Bubble

NASA Astrophysics Data System (ADS)

Natsui, Shungo; Nashimoto, Ryota; Takai, Hifumi; Kumagai, Takehiko; Kikuchi, Tatsuya; Suzuki, Ryosuke O.

2016-06-01

The behavior of the interface between molten Sn and the LiCl-KCl eutectic melt system was observed directly. We found that the transient behavior of the interface exhibits considerable temperature dependence through a change in its physical properties. The "metal film" generated in the upper molten salt phase significantly influences the shape of the interface. Although the lifetime of the metal film depends on the gas flow rate, it is not affected by the buoyancy if the interfacial tension is dominant.

A Sample Return Container with Hermetic Seal

NASA Technical Reports Server (NTRS)

Kong, Kin Yuen; Rafeek, Shaheed; Sadick, Shazad; Porter, Christopher C.

2000-01-01

A sample return container is being developed by Honeybee Robotics to receive samples from a derivative of the Champollion/ST4 Sample Acquisition and Transfer Mechanism or other samplers and then hermetically seal samples for a sample return mission. The container is enclosed in a phase change material (PCM) chamber to prevent phase change during return and re-entry to earth. This container is designed to operate passively with no motors and actuators. Using the sampler's featured drill tip for interfacing, transfer-ring and sealing samples, the container consumes no electrical power and therefore minimizes sample temperature change. The circular container houses a few isolated canisters, which will be sealed individually for samples acquired from different sites or depths. The drill based sampler indexes each canister to the sample transfer position, below the index interface for sample transfer. After sample transfer is completed, the sampler indexes a seal carrier, which lines up seals with the openings of the canisters. The sampler moves to the sealing interface and seals the sample canisters one by one. The sealing interface can be designed to work with C-seals, knife edge seals and cup seals. Again, the sampler provides all sealing actuation. This sample return container and co-engineered sample acquisition system are being developed by Honeybee Robotics in collaboration with the JPL Exploration Technology program.

Gradient augmented level set method for phase change simulations

NASA Astrophysics Data System (ADS)

Anumolu, Lakshman; Trujillo, Mario F.

2018-01-01

A numerical method for the simulation of two-phase flow with phase change based on the Gradient-Augmented-Level-set (GALS) strategy is presented. Sharp capturing of the vaporization process is enabled by: i) identification of the vapor-liquid interface, Γ (t), at the subgrid level, ii) discontinuous treatment of thermal physical properties (except for μ), and iii) enforcement of mass, momentum, and energy jump conditions, where the gradients of the dependent variables are obtained at Γ (t) and are consistent with their analytical expression, i.e. no local averaging is applied. Treatment of the jump in velocity and pressure at Γ (t) is achieved using the Ghost Fluid Method. The solution of the energy equation employs the sub-grid knowledge of Γ (t) to discretize the temperature Laplacian using second-order one-sided differences, i.e. the numerical stencil completely resides within each respective phase. To carefully evaluate the benefits or disadvantages of the GALS approach, the standard level set method is implemented and compared against the GALS predictions. The results show the expected trend that interface identification and transport are predicted noticeably better with GALS over the standard level set. This benefit carries over to the prediction of the Laplacian and temperature gradients in the neighborhood of the interface, which are directly linked to the calculation of the vaporization rate. However, when combining the calculation of interface transport and reinitialization with two-phase momentum and energy, the benefits of GALS are to some extent neutralized, and the causes for this behavior are identified and analyzed. Overall the additional computational costs associated with GALS are almost the same as those using the standard level set technique.

On a two-phase Hele-Shaw problem with a time-dependent gap and distributions of sinks and sources

NASA Astrophysics Data System (ADS)

Savina, Tatiana; Akinyemi, Lanre; Savin, Avital

2018-01-01

A two-phase Hele-Shaw problem with a time-dependent gap describes the evolution of the interface, which separates two fluids sandwiched between two plates. The fluids have different viscosities. In addition to the change in the gap width of the Hele-Shaw cell, the interface is driven by the presence of some special distributions of sinks and sources located in both the interior and exterior domains. The effect of surface tension is neglected. Using the Schwarz function approach, we give examples of exact solutions when the interface belongs to a certain family of algebraic curves and the curves do not form cusps. The family of curves are defined by the initial shape of the free boundary.

Peptide Folding and Translocation Across the Water-Membrane Interface

NASA Technical Reports Server (NTRS)

Pohorille, Andrew; Chang, Sherwood (Technical Monitor)

1997-01-01

The ability of small peptides to organize at aqueous interfaces was examined by performing a series of large-scale, molecular dynamics computer simulations of several peptides composed of two amino acids, nonpolar leucine (L) and polar glutamine (Q). The peptides differed in size and sequence of the amino acids. Studies on dipeptides LL, LQ, QL and QQ were extended to two heptamers, LQQLLQL and LQLQLQL, designed to maximize interfacial stability of an alpha-helix and a beta-strand, respectively, by exposing polar side chains to water and nonpolar side chains to a nonpolar phase. Finally, a transition of an undecamer, composed entirely of leucine residues, from a disordered structure in water to an alpha-helix in a nonpolar phase representing the interior of the membrane was investigated. Complete folding of a peptide in solution was accomplished for the first time in computer simulations. The simulations revealed several basic principles governing the sequence-dependent organization of peptides at interfaces. Short peptides tend to accumulate at interfaces and acquire ordered structures, providing that they have a proper sequence of polar and nonpolar amino acids. The dominant factor determining the interfacial structure of peptides is the hydrophobic effect, which is manifested at aqueous interfaces as a tendency for polar and nonpolar groups of the solute to segregate into the aqueous and nonpolar phases, respectively. If peptides consist of nonpolar residue's only, they become inserted into the nonpolar phase. As demonstrated by the example of the leucine undecamer, such peptides fold into an alpha-helix as they partition into the nonpolar medium. The folding proceeds through an intermediate, called 3-10-helix, which remains in equilibrium with the alpha-helix. Once in the nonpolar environment, the peptides can readily change their orientation with respect to the interface from parallel to perpendicular, especially in response to local electric fields. The ability of nonpolar peptides to modify both the structure and orientation with respect to the interface from parallel to perpendicular, especially in response to local electric fields. The ability of nonpolar peptides to modify both the structure and orientation with changing external conditions may have provided a simple mechanism of transmitting signals from the environment to the interior of a cell.

Vibrational Studies of Saccharide-Induced Lipid Film Reorganization at Aqueous/Air Interfaces

DOE PAGES

Link, Katie A.; Hsieh, Chia -Yun; Tuladhar, Aashish; ...

2018-02-09

Vibrational sum frequency generation (VSFG) and surface tension experiments were used to examine the effects of aqueous phase soluble saccharides on the structure and organization of insoluble lipid monolayers adsorbed to aqueous-air interfaces. Changes in dipalmitoylphosphocholine (DPPC) chain structure as a function of aqueous phase saccharide concentration and pH are reported. Complementary differential scanning calorimetry (DSC) measurements performed on solutions containing soluble saccharides and DPPC vesicles measured the effects of the saccharides on the lipid membrane phase behavior. Here, data show that the saccharides glucosamine and glucuronic acid induce a higher degree of organization in compressed DPPC monolayers regardless ofmore » the saccharide’s charge.« less

Vibrational Studies of Saccharide-Induced Lipid Film Reorganization at Aqueous/Air Interfaces

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

Link, Katie A.; Hsieh, Chia -Yun; Tuladhar, Aashish

Vibrational sum frequency generation (VSFG) and surface tension experiments were used to examine the effects of aqueous phase soluble saccharides on the structure and organization of insoluble lipid monolayers adsorbed to aqueous-air interfaces. Changes in dipalmitoylphosphocholine (DPPC) chain structure as a function of aqueous phase saccharide concentration and pH are reported. Complementary differential scanning calorimetry (DSC) measurements performed on solutions containing soluble saccharides and DPPC vesicles measured the effects of the saccharides on the lipid membrane phase behavior. Here, data show that the saccharides glucosamine and glucuronic acid induce a higher degree of organization in compressed DPPC monolayers regardless ofmore » the saccharide’s charge.« less

Electron-irradiation-induced crystallization at metallic amorphous/silicon oxide interfaces caused by electronic excitation

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

Nagase, Takeshi, E-mail: t-nagase@uhvem.osaka-u.ac.jp; Division of Materials and Manufacturing Science, Graduate School of Engineering, Osaka University, 2-1, Yamada-Oka, Suita, Osaka 565-0871; Yamashita, Ryo

2016-04-28

Irradiation-induced crystallization of an amorphous phase was stimulated at a Pd-Si amorphous/silicon oxide (a(Pd-Si)/SiO{sub x}) interface at 298 K by electron irradiation at acceleration voltages ranging between 25 kV and 200 kV. Under irradiation, a Pd-Si amorphous phase was initially formed at the crystalline face-centered cubic palladium/silicon oxide (Pd/SiO{sub x}) interface, followed by the formation of a Pd{sub 2}Si intermetallic compound through irradiation-induced crystallization. The irradiation-induced crystallization can be considered to be stimulated not by defect introduction through the electron knock-on effects and electron-beam heating, but by the electronic excitation mechanism. The observed irradiation-induced structural change at the a(Pd-Si)/SiO{sub x} and Pd/SiO{sub x}more » interfaces indicates multiple structural modifications at the metal/silicon oxide interfaces through electronic excitation induced by the electron-beam processes.« less

Numerical simulation of CdTe vertical Bridgman growth

NASA Astrophysics Data System (ADS)

Ouyang, Hong; Shyy, Wei

1997-04-01

Numerical simulation has been conducted for steady-state Bridgman growth of the CdTe crystal with two ampoule configurations, namely, flat base and semi-spherical base. The present model accounts for conduction, convection and radiation, as well as phase change dynamics. The enthalpy formulation for phase change has been incorporated into a pressure-based algorithm with multi-zone curvilinear grid systems. The entire system which consists of the furnace enclosure wall, the encapsulated gas and the ampoule, contains irregularly configured domains. To meet the competing needs of producing accurate solutions with reasonable computing resources, a two-level approach is employed. The present study reveals that although the two ampoule configurations are quite different, their influence on the melt-solid interface shape is modest, and the undesirable concave interface appears in both cases. Since the interface shape strongly depends on thermal conductivities between the melt and the crystal, as well as ampoule wall temperature, accurate prescriptions of materials transport properties and operating environment are crucial for successful numerical predictions.

Buoyancy-Marangoni convection in confined volatile binary fluids subject to a horizontal temperature gradient

NASA Astrophysics Data System (ADS)

Qin, Tongran; Grigoriev, Roman

2017-11-01

We consider convection in a layer of binary fluid with free surface subject to a horizontal temperature gradient in the presence of noncondensable gases, which is driven by a combination of three different forces: buoyancy, thermocapillarity, and solutocapillarity. Unlike buoyancy, both thermo- and solutocapillary stresses depend sensitively on the local phase equilibrium at the liquid-gas interface. In particular, thermocapillarity associated with the interfacial temperature gradient is controlled by the vapors' concentration along the interface, and solutocapillarity associated with the interfacial concentration gradient is controlled by differential phase change of two components of the liquid, which is strongly influenced by the presence of noncondensables. Therefore, flows in both phases, phase change, and effect of noncondensables all have to be considered. Numerical simulations based on a comprehensive model taking these effects into account show qualitative agreement with recent experiments which identified a number of flow regimes at various compositions of both phases. In particular,we find that the composition of both the gas and liquid phase have a significant effect on the observed convection patterns; this dependence can be understood using a simple analytical model. This material is based upon work supported by the National Science Foundation under Grant No. 1511470.

Droplet evaporation and combustion in a liquid-gas multiphase system

NASA Astrophysics Data System (ADS)

Muradoglu, Metin; Irfan, Muhammad

2017-11-01

Droplet evaporation and combustion in a liquid-gas multiphase system are studied computationally using a front-tracking method. One field formulation is used to solve the flow, energy and species equations with suitable jump conditions. Both phases are assumed to be incompressible; however, the divergence-free velocity field condition is modified to account for the phase change at the interface. Both temperature and species gradient driven phase change processes are simulated. Extensive validation studies are performed using the benchmark cases: The Stefan and the sucking interface problems, d2 law and wet bulb temperature comparison with the psychrometric chart values. The phase change solver is then extended to incorporate the burning process following the evaporation as a first step towards the development of a computational framework for spray combustion. We used detailed chemistry, variable transport properties and ideal gas behaviour for a n-heptane droplet combustion; the chemical kinetics being handled by the CHEMKIN. An operator-splitting approach is used to advance temperature and species mass fraction in time. The numerical results of the droplet burning rate, flame temperature and flame standoff ratio show good agreement with the experimental and previous numeric.

Optical second harmonic generation phase measurement at interfaces of some organic layers with indium tin oxide

NASA Astrophysics Data System (ADS)

Ngah Demon, Siti Zulaikha; Miyauchi, Yoshihiro; Mizutani, Goro; Matsushima, Toshinori; Murata, Hideyuki

2014-08-01

We observed phase shift in optical second harmonic generation (SHG) from interfaces of indium tin oxide (ITO)/copper phthalocyanine (CuPc) and ITO/pentacene. Phase correction due to Fresnel factors of the sample was taken into account. The phase of SHG electric field at the ITO/pentacene interface, ϕinterface with respect to the phase of SHG of bare substrate ITO was 160°, while the interface of ITO/CuPc had a phase of 140°.

Energy-Efficient Phase-Change Memory with Graphene as a Thermal Barrier

DTIC Science & Technology

2015-09-02

Joule heating should be restricted inside a small volume of the phase-change material and heat loss by thermal conduction to the surroundings needs to...technique (see Figure 1a). TDTR is a well-established pump− probe technique, capable of measuring the cross-plane thermal conductivity of nanometer-thin...films and thermal conductance per unit area across interfaces of particular interest27 (see Supporting Information, Section 1 and Figure S1

Smoothed particle hydrodynamics method for evaporating multiphase flows.

PubMed

Yang, Xiufeng; Kong, Song-Charng

2017-09-01

The smoothed particle hydrodynamics (SPH) method has been increasingly used for simulating fluid flows; however, its ability to simulate evaporating flow requires significant improvements. This paper proposes an SPH method for evaporating multiphase flows. The present SPH method can simulate the heat and mass transfers across the liquid-gas interfaces. The conservation equations of mass, momentum, and energy were reformulated based on SPH, then were used to govern the fluid flow and heat transfer in both the liquid and gas phases. The continuity equation of the vapor species was employed to simulate the vapor mass fraction in the gas phase. The vapor mass fraction at the interface was predicted by the Clausius-Clapeyron correlation. An evaporation rate was derived to predict the mass transfer from the liquid phase to the gas phase at the interface. Because of the mass transfer across the liquid-gas interface, the mass of an SPH particle was allowed to change. Alternative particle splitting and merging techniques were developed to avoid large mass difference between SPH particles of the same phase. The proposed method was tested by simulating three problems, including the Stefan problem, evaporation of a static drop, and evaporation of a drop impacting a hot surface. For the Stefan problem, the SPH results of the evaporation rate at the interface agreed well with the analytical solution. For drop evaporation, the SPH result was compared with the result predicted by a level-set method from the literature. In the case of drop impact on a hot surface, the evolution of the shape of the drop, temperature, and vapor mass fraction were predicted.

Photochemical oxidation of water and reduction of polyoxometalate anions at interfaces of water with ionic liquids or diethylether

PubMed Central

Bernardini, Gianluca; Wedd, Anthony G.; Zhao, Chuan; Bond, Alan M.

2012-01-01

Photoreduction of [P2W18O62]6-, [S2Mo18O62]4-, and [S2W18O62]4- polyoxometalate anions (POMs) and oxidation of water occurs when water–ionic liquid and water–diethylether interfaces are irradiated with white light (275–750 nm) or sunlight. The ionic liquids (ILs) employed were aprotic ([Bmim]X; Bmim = (1-butyl-3-methylimidazolium,X = BF4,PF6) and protic (DEAS = diethanolamine hydrogen sulphate; DEAP = diethanolamine hydrogen phosphate). Photochemical formation of reduced POMs at both thermodynamically stable and unstable water–IL interfaces led to their initial diffusion into the aqueous phase and subsequent extraction into the IL phase. The mass transport was monitored visually by color change and by steady-state voltammetry at microelectrodes placed near the interface and in the bulk solution phases. However, no diffusion into the organic phase was observed when [P2W18O62]6- was photo-reduced at the water–diethylether interface. In all cases, water acted as the electron donor to give the overall process: 4POM + 2H2O + hν → 4POM- + 4H+ + O2. However, more highly reduced POM species are likely to be generated as intermediates. The rate of diffusion of photo-generated POM- was dependent on the initial concentration of oxidized POM and the viscosity of the IL (or mixed phase system produced in cases in which the interface is thermodynamically unstable). In the water-DEAS system, the evolution of dioxygen was monitored in situ in the aqueous phase by using a Clark-type oxygen sensor. Differences in the structures of bulk and interfacial water are implicated in the activation of water. An analogous series of reactions occurred upon irradiation of solid POM salts in the presence of water vapor. PMID:22753501

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

PubMed

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

2014-05-22

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

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

PubMed Central

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

2014-01-01

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

Method for Predicting Hypergolic Mixture Flammability Limits

DTIC Science & Technology

2017-02-01

liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition and the interactions...of what happens in the liquid phase, in the gas phase, at the liquid / liquid interface and at the gas / liquid interface during hypergolic ignition...and the interactions of all these phases. The ignition happens in the gas -phase but products formed here and there (in the liquid phase or at

Time scales of relaxation dynamics during transient conditions in two-phase flow: RELAXATION DYNAMICS

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

Schlüter, Steffen; Berg, Steffen; Li, Tianyi

2017-06-01

The relaxation dynamics toward a hydrostatic equilibrium after a change in phase saturation in porous media is governed by fluid reconfiguration at the pore scale. Little is known whether a hydrostatic equilibrium in which all interfaces come to rest is ever reached and which microscopic processes govern the time scales of relaxation. Here we apply fast synchrotron-based X-ray tomography (X-ray CT) to measure the slow relaxation dynamics of fluid interfaces in a glass bead pack after fast drainage of the sample. The relaxation of interfaces triggers internal redistribution of fluids, reduces the surface energy stored in the fluid interfaces, andmore » relaxes the contact angle toward the equilibrium value while the fluid topology remains unchanged. The equilibration of capillary pressures occurs in two stages: (i) a quick relaxation within seconds in which most of the pressure drop that built up during drainage is dissipated, a process that is to fast to be captured with fast X-ray CT, and (ii) a slow relaxation with characteristic time scales of 1–4 h which manifests itself as a spontaneous imbibition process that is well described by the Washburn equation for capillary rise in porous media. The slow relaxation implies that a hydrostatic equilibrium is hardly ever attained in practice when conducting two-phase experiments in which a flux boundary condition is changed from flow to no-flow. Implications for experiments with pressure boundary conditions are discussed.« less

Phases, phase equilibria, and phase rules in low-dimensional systems

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

Frolov, T., E-mail: timfrol@berkeley.edu; Mishin, Y., E-mail: ymishin@gmu.edu

2015-07-28

We present a unified approach to thermodynamic description of one, two, and three dimensional phases and phase transformations among them. The approach is based on a rigorous definition of a phase applicable to thermodynamic systems of any dimensionality. Within this approach, the same thermodynamic formalism can be applied for the description of phase transformations in bulk systems, interfaces, and line defects separating interface phases. For both lines and interfaces, we rigorously derive an adsorption equation, the phase coexistence equations, and other thermodynamic relations expressed in terms of generalized line and interface excess quantities. As a generalization of the Gibbs phasemore » rule for bulk phases, we derive phase rules for lines and interfaces and predict the maximum number of phases than may coexist in systems of the respective dimensionality.« less

Growth kinetics and microstructural evolution during hot isostatic pressing of U-10 wt.% Mo monolithic fuel plate in AA6061 cladding with Zr diffusion barrier

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

Y. Park; J. Yoo; K. Huang

2014-04-01

Phase constituents and microstructure changes in RERTR fuel plate assemblies as functions of temperature and duration of hot-isostatic pressing (HIP) during fabrication were examined. The HIP process was carried out as functions of temperature (520, 540, 560 and 580 °C for 90 min) and time (45–345 min at 560 °C) to bond 6061 Al-alloy to the Zr diffusion barrier that had been co-rolled with U-10 wt.% Mo (U10Mo) fuel monolith prior to the HIP process. Scanning and transmission electron microscopies were employed to examine the phase constituents, microstructure and layer thickness of interaction products from interdiffusion. At the interface betweenmore » the U10Mo and Zr, following the co-rolling, the UZr2 phase was observed to develop adjacent to Zr, and the a-U phase was found between the UZr2 and U10Mo, while the Mo2Zr was found as precipitates mostly within the a-U phase. The phase constituents and thickness of the interaction layer at the U10Mo-Zr interface remained unchanged regardless of HIP processing variation. Observable growth due to HIP was only observed for the (Al,Si)3Zr phase found at the Zr/AA6061 interface, however, with a large activation energy of 457 ± 28 kJ/mole. Thus, HIP can be carried to improve the adhesion quality of fuel plate without concern for the excessive growth of the interaction layer, particularly at the U10Mo-Zr interface with the a-U, Mo2Zr, and UZr2 phases.« less

Growth kinetics and microstructural evolution during hot isostatic pressing of U-10 wt.% Mo monolithic fuel plate in AA6061 cladding with Zr diffusion barrier

NASA Astrophysics Data System (ADS)

Park, Y.; Yoo, J.; Huang, K.; Keiser, D. D.; Jue, J. F.; Rabin, B.; Moore, G.; Sohn, Y. H.

2014-04-01

Phase constituents and microstructure changes in RERTR fuel plate assemblies as functions of temperature and duration of hot-isostatic pressing (HIP) during fabrication were examined. The HIP process was carried out as functions of temperature (520, 540, 560 and 580 °C for 90 min) and time (45-345 min at 560 °C) to bond 6061 Al-alloy to the Zr diffusion barrier that had been co-rolled with U-10 wt.% Mo (U10Mo) fuel monolith prior to the HIP process. Scanning and transmission electron microscopies were employed to examine the phase constituents, microstructure and layer thickness of interaction products from interdiffusion. At the interface between the U10Mo and Zr, following the co-rolling, the UZr2 phase was observed to develop adjacent to Zr, and the α-U phase was found between the UZr2 and U10Mo, while the Mo2Zr was found as precipitates mostly within the α-U phase. The phase constituents and thickness of the interaction layer at the U10Mo-Zr interface remained unchanged regardless of HIP processing variation. Observable growth due to HIP was only observed for the (Al,Si)3Zr phase found at the Zr/AA6061 interface, however, with a large activation energy of 457 ± 28 kJ/mole. Thus, HIP can be carried to improve the adhesion quality of fuel plate without concern for the excessive growth of the interaction layer, particularly at the U10Mo-Zr interface with the α-U, Mo2Zr, and UZr2 phases.

The Voronoi Implicit Interface Method for computing multiphase physics

PubMed Central

Saye, Robert I.; Sethian, James A.

2011-01-01

We introduce a numerical framework, the Voronoi Implicit Interface Method for tracking multiple interacting and evolving regions (phases) whose motion is determined by complex physics (fluids, mechanics, elasticity, etc.), intricate jump conditions, internal constraints, and boundary conditions. The method works in two and three dimensions, handles tens of thousands of interfaces and separate phases, and easily and automatically handles multiple junctions, triple points, and quadruple points in two dimensions, as well as triple lines, etc., in higher dimensions. Topological changes occur naturally, with no surgery required. The method is first-order accurate at junction points/lines, and of arbitrarily high-order accuracy away from such degeneracies. The method uses a single function to describe all phases simultaneously, represented on a fixed Eulerian mesh. We test the method’s accuracy through convergence tests, and demonstrate its applications to geometric flows, accurate prediction of von Neumann’s law for multiphase curvature flow, and robustness under complex fluid flow with surface tension and large shearing forces. PMID:22106269

The Voronoi Implicit Interface Method for computing multiphase physics.

PubMed

Saye, Robert I; Sethian, James A

2011-12-06

We introduce a numerical framework, the Voronoi Implicit Interface Method for tracking multiple interacting and evolving regions (phases) whose motion is determined by complex physics (fluids, mechanics, elasticity, etc.), intricate jump conditions, internal constraints, and boundary conditions. The method works in two and three dimensions, handles tens of thousands of interfaces and separate phases, and easily and automatically handles multiple junctions, triple points, and quadruple points in two dimensions, as well as triple lines, etc., in higher dimensions. Topological changes occur naturally, with no surgery required. The method is first-order accurate at junction points/lines, and of arbitrarily high-order accuracy away from such degeneracies. The method uses a single function to describe all phases simultaneously, represented on a fixed Eulerian mesh. We test the method's accuracy through convergence tests, and demonstrate its applications to geometric flows, accurate prediction of von Neumann's law for multiphase curvature flow, and robustness under complex fluid flow with surface tension and large shearing forces.

The Voronoi Implicit Interface Method for computing multiphase physics

DOE PAGES

Saye, Robert I.; Sethian, James A.

2011-11-21

In this paper, we introduce a numerical framework, the Voronoi Implicit Interface Method for tracking multiple interacting and evolving regions (phases) whose motion is determined by complex physics (fluids, mechanics, elasticity, etc.), intricate jump conditions, internal constraints, and boundary conditions. The method works in two and three dimensions, handles tens of thousands of interfaces and separate phases, and easily and automatically handles multiple junctions, triple points, and quadruple points in two dimensions, as well as triple lines, etc., in higher dimensions. Topological changes occur naturally, with no surgery required. The method is first-order accurate at junction points/lines, and of arbitrarilymore » high-order accuracy away from such degeneracies. The method uses a single function to describe all phases simultaneously, represented on a fixed Eulerian mesh. Finally, we test the method’s accuracy through convergence tests, and demonstrate its applications to geometric flows, accurate prediction of von Neumann’s law for multiphase curvature flow, and robustness under complex fluid flow with surface tension and large shearing forces.« less

Fundamental incorporation of the density change during melting of a confined phase change material

NASA Astrophysics Data System (ADS)

Hernández, Ernesto M.; Otero, José A.

2018-02-01

The modeling of thermal diffusion processes taking place in a phase change material presents a challenge when the dynamics of the phase transition is coupled to the mechanical properties of the container. Thermo-mechanical models have been developed by several authors, however, it will be shown that these models only explain the phase transition dynamics at low pressures when the density of each phase experiences negligible changes. In our proposal, a new energy-mass balance equation at the interface is derived and found to be a consequence of mass conservation. The density change experienced in each phase is predicted by the proposed formulation of the problem. Numerical and semi-analytical solutions to the proposed model are presented for an example on a high temperature phase change material. The solutions to the models presented by other authors are observed to be well-behaved close to the isobaric limit. However, compared to the results obtained from our model, the change in the fusion temperature, latent heat, and absolute pressure is found to be greatly overestimated by other proposals when the phase transition is studied close to the isochoric regime.

A kinetic model for beta-amyloid adsorption at the air/solution interface and its implication to the beta-amyloid aggregation process.

PubMed

Jiang, Dianlu; Dinh, Kim Lien; Ruthenburg, Travis C; Zhang, Yi; Su, Lei; Land, Donald P; Zhou, Feimeng

2009-03-12

At the air/buffer solution interface the kinetics of adsorption of amyloid beta peptide, Abeta(1-42), whose bulk concentration (submicromolar) is more than 2 orders of magnitude lower than that typically used in other in vitro aggregation studies, has been studied using a Langmuir-Blodgett trough. The pressure-time curves exhibit a lag phase, wherein the surface pressure essentially remains at zero, and a rising phase, corresponding to the Abeta adsorption at the interface. The duration of the lag phase was found to be highly dependent on both the Abeta bulk concentration and the solution temperature. A large activation energy (62.2 +/- 4.1 KJ/mol) was determined and the apparent adsorption rate constant was found to be linearly dependent on the Abeta bulk concentration. Attenuated total reflection-IR spectra of the adsorbed Abeta transferred to a solid substrate and circular dichroism measurements of Abeta in the solution layer near the interface reveal that the natively unstructured Abeta in the bulk undergo a conformation change (folding) to mainly the alpha-helical structure. The results suggest that, prior to the adsorption step, an equilibrium between Abeta conformations is established within the subsurface. The kinetic equation derived from this model confirms that the overall Abeta adsorption is kinetically controlled and the apparent rate constant is proportional to the Abeta bulk concentration. This model also indicates that interfaces such as cell membranes and lipid bilayers may facilitate Abeta aggregation/ fibrillation by providing a thin hydrophobic layer adjacent to the interface for the initial A/beta conformation change (misfolding) and accumulation. Such a preconcentration effect offers a plausible explanation of the fact that Abeta fibrillation occurs in vivo at nanomolar concentrations. Another important biological implication from our work is that Abeta misfolding may occur before its adsorption onto a cell membrane. This general kinetic model should also find applications in adsorption studies of other types of biomolecules whose overall kinetics exhibits a lag phase that is dependent on the bulk concentration of the adsorbate.

A Kinetic Model for β-Amyloid Adsorption at the Air/Solution Interface and Its Implication to the β-Amyloid Aggregation Process

PubMed Central

Jiang, Dianlu; Dinh, Kim Lien; Ruthenburg, Travis; Zhang, Yi; Su, Lei; Land, Donald; Zhou, Feimeng

2011-01-01

The kinetics of adsorption at the air/buffer solution interface of amyloid beta peptide, Aβ(1–42), whose bulk concentration (submicromolar) is more than two orders of magnitude lower than that typically used in other in vitro aggregation studies, has been studied using a Langmuir-Blodgett trough. The pressure–time curves exhibit a lag phase, wherein the surface pressure essentially remains at zero, and a rising phase, corresponding to the Aβ adsorption at the interface. The duration of the lag phase was found to be highly dependent on both the Aβ bulk concentration and the solution temperature. A large activation energy (62.2 ± 4.1 KJ/mol) was determined and the apparent adsorption rate constant was found to be linearly dependent on the Aβ bulk concentration. Attenuated total reflection-IR spectra of the adsorbed Aβ transferred to a solid substrate and circular dichroism measurements of Aβ in the solution layer near the interface reveal that the natively unstructured Aβ in the bulk undergo a conformation change (folding) to mainly the α-helical structure. The results suggest that, prior to the adsorption step, an equilibrium between Aβ conformations is established within the subsurface. The kinetic equation derived from this model confirms that the overall Aβ adsorption is kinetically controlled and the apparent rate constant is proportional to the Aβ bulk concentration. This model also indicates that interfaces such as cell membranes and lipid bilayers may facilitate Aβ aggregation/fibrillation by providing a thin hydrophobic layer adjacent to the interface for the initial Aβ conformation change (misfolding) and accumulation. Such a preconcentration effect offers a plausible explanation of the fact that Aβ fibrillation occurs in vivo at nanomolar concentrations. Another important biological implication from our work is that Aβ misfolding may occur before its adsorption onto a cell membrane. This general kinetic model should also find applications in adsorption studies of other types of biomolecules whose overall kinetics exhibits a lag phase that is dependent on the bulk concentration of the adsorbate. PMID:19260715

Effect of Nb on the Growth Behavior of Co3Sn2 Phase in Undercooled Co-Sn Melts

NASA Astrophysics Data System (ADS)

Kang, Jilong; Xu, Wanqiang; Wei, Xiuxun; Ferry, Michael; Li, Jinfu

2016-12-01

The growth behavior of the primary β-Co3Sn2 phase in (Co67Sn33)100- x Nb x ( x = 0, 0.5, 0.8, 1.0) hypereutectic alloys at different melt undercoolings was investigated systematically. The growth pattern of the β-Co3Sn2 phase at low undercooling changes with the Nb content from fractal seaweed ( x = 0, 0.5) into dendrite ( x = 0.8) and then returns to fractal seaweed ( x = 1.0) as a response to the changes in interface energy anisotropy and interface kinetic anisotropy. As undercooling increases, the dendritic growth of the β-Co3Sn2 phase in (Co67Sn33)99.2Nb0.8 alloy gives way to fractal seaweed growth at an undercooling of 32 K (-241 °C). At larger undercooling, the fractal seaweed growth is further replaced by compact seaweed growth, which occurred in the other three alloys investigated. The growth velocity of the β-Co3Sn2 phase slightly increases at low and intermediate undercooling but clearly decreases at larger undercooling due to the Nb addition. The growth velocity sharply increases as the growth pattern of the Co3Sn2 phase transits from fractal seaweed into compact seaweed.

A variational treatment of material configurations with application to interface motion and microstructural evolution

NASA Astrophysics Data System (ADS)

Teichert, Gregory H.; Rudraraju, Shiva; Garikipati, Krishna

2017-02-01

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces in polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. These descriptions also lead to parameterizations of the free energies for the two cases, from which variational treatments can be developed and equilibrium conditions obtained. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (1962, Elastic materials with couple-stresses. Arch. Ration. Mech. Anal., 11, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. The coupled system of equations governs the configurational change in crystal structure, and elastic deformation driven by elastic, Eshelbian, and configurational stresses. Numerical examples are presented to demonstrate interface motion as well as evolving microstructures of crystal structures.

A variational treatment of material configurations with application to interface motion and microstructural evolution

DOE PAGES

Teichert, Gregory H.; Rudraraju, Shiva; Garikipati, Krishna

2016-11-20

We present a unified variational treatment of evolving configurations in crystalline solids with microstructure. The crux of our treatment lies in the introduction of a vector configurational field. This field lies in the material, or configurational, manifold, in contrast with the traditional displacement field, which we regard as lying in the spatial manifold. We identify two distinct cases which describe (a) problems in which the configurational field's evolution is localized to a mathematically sharp interface, and (b) those in which the configurational field's evolution can extend throughout the volume. The first case is suitable for describing incoherent phase interfaces inmore » polycrystalline solids, and the latter is useful for describing smooth changes in crystal structure and naturally incorporates coherent (diffuse) phase interfaces. These descriptions also lead to parameterizations of the free energies for the two cases, from which variational treatments can be developed and equilibrium conditions obtained. For sharp interfaces that are out-of-equilibrium, the second law of thermodynamics furnishes restrictions on the kinetic law for the interface velocity. The class of problems in which the material undergoes configurational changes between distinct, stable crystal structures are characterized by free energy density functions that are non-convex with respect to configurational strain. For physically meaningful solutions and mathematical well-posedness, it becomes necessary to incorporate interfacial energy. This we have done by introducing a configurational strain gradient dependence in the free energy density function following ideas laid out by Toupin (Arch. Rat. Mech. Anal., 11, 1962, 385-414). The variational treatment leads to a system of partial differential equations governing the configuration that is coupled with the traditional equations of nonlinear elasticity. The coupled system of equations governs the configurational change in crystal structure, and elastic deformation driven by elastic, Eshelbian, and configurational stresses. As a result, numerical examples are presented to demonstrate interface motion as well as evolving microstructures of crystal structures.« less

Effects of Force Fields on Interface Dynamics, in view of Two-Phase Heat Transfer Enhancement and Phase Management for Space Applications

NASA Astrophysics Data System (ADS)

Di Marco, P.; Saccone, G.

2017-11-01

On earth, gravity barely influences the dynamics of interfaces. For what concerns bubbles, buoyancy governs the dynamics of boiling mechanism and thus affects boiling heat transfer capacity. While, for droplets, the coupled effects of wettability and gravity affects interface exchanges. In space, in the lack of gravity, rules are changed and new phenomena come into play. The present work is aimed to study the effects of electric field on the shape and behaviour of bubbles and droplets in order to understand how to handle microgravity applications; in particular, the replacement of gravity with electric field and their coupled effects are evaluated. The experiments spread over different setups, gravity conditions, working fluids, interface conditions. Droplets and bubbles have been analysed with and without electric field, with and without (adiabatic) heat and mass transfer across the interface. Furthermore, the results of the 4 ESA Parabolic Flight Campaigns (PFC 58, 60, 64 & 66), for adiabatic bubbles, adiabatic droplets and evaporating droplets, will be summarized, discussed, and compared with the ground tests.

Kinetic effects in InP nanowire growth and stacking fault formation: the role of interface roughening.

PubMed

Chiaramonte, Thalita; Tizei, Luiz H G; Ugarte, Daniel; Cotta, Mônica A

2011-05-11

InP nanowire polytypic growth was thoroughly studied using electron microscopy techniques as a function of the In precursor flow. The dominant InP crystal structure is wurtzite, and growth parameters determine the density of stacking faults (SF) and zinc blende segments along the nanowires (NWs). Our results show that SF formation in InP NWs cannot be univocally attributed to the droplet supersaturation, if we assume this variable to be proportional to the ex situ In atomic concentration at the catalyst particle. An imbalance between this concentration and the axial growth rate was detected for growth conditions associated with larger SF densities along the NWs, suggesting a different route of precursor incorporation at the triple phase line in that case. The formation of SFs can be further enhanced by varying the In supply during growth and is suppressed for small diameter NWs grown under the same conditions. We attribute the observed behaviors to kinetically driven roughening of the semiconductor/metal interface. The consequent deformation of the triple phase line increases the probability of a phase change at the growth interface in an effort to reach local minima of system interface and surface energy.

Cauchy integral method for two-dimensional solidification interface shapes

NASA Astrophysics Data System (ADS)

Siegel, R.; Sosoka, D. J.

1982-07-01

A method is developed to determine the shape of steady state solidification interfaces formed when liquid above its freezing point circulates over a cold surface. The solidification interface, which is at uniform temperature, will form in a shape such that the non-uniform energy convected to it is locally balanced by conduction into the solid. The interface shape is of interest relative to the crystal structure formed during solidification; regulating the crystal structure has application in casting naturally strengthened metallic composites. The results also pertain to phase-change energy storage devices, where the solidified configuration and overall heat transfer are needed. The analysis uses a conformal mapping technique to relate the desired interface coordinates to the components of the temperature gradient at the interface. These components are unknown because the interface shape is unknown. A Cauchy integral formulation provides a second relation involving the components, and a simultaneous solution yields the interface shape.

Predicting the pKa and stability of organic acids and bases at an oil-water interface.

PubMed

Andersson, M P; Olsson, M H M; Stipp, S L S

2014-06-10

We have used density functional theory and the implicit solvent model, COSMO-RS, to investigate how the acidity constant, pKa, of organic acids and bases adsorbed at the organic compound-aqueous solution interface changes, compared to its value in the aqueous phase. The pKa determine the surface charge density of the molecules that accumulate at the fluid-fluid interface. We have estimated the pKa by comparing the stability of the protonated and unprotonated forms of a series of molecules in the bulk aqueous solution and at an interface where parts of each molecule reside in the hydrophobic phase and the rest remains in the hydrophilic phase. We found that the pKa for acids is shifted by ∼1 pH unit to higher values compared to the bulk water pKa, whereas they are shifted to lower values by a similar amount for bases. Because this pKa shift is similar in magnitude for each of the molecules studied, we propose that the pKa for molecules at a water-organic compound interface can easily be predicted by adding a small shift to the aqueous pKa. This shift is general and correlates with the functional group. We also found that the relative composition of molecules at the fluid-fluid interface is not the same as in the bulk. For example, species such as carboxylic acids are enriched at the interface, where they can dominate surface properties, even when they are a modest component in the bulk fluid. For high surface concentrations of carboxylic acid groups at an interface, such as a self-assembled monolayer, we have demonstrated that the pKa depends on the degree of deprotonation through direct hydrogen bonding between protonated and deprotonated acidic headgroups.

MoS2 edges and heterophase interfaces: energy, structure and phase engineering

NASA Astrophysics Data System (ADS)

Zhou, Songsong; Han, Jian; Sun, Jianwei; Srolovitz, David J.

2017-06-01

The transition metal dichalcogenides exhibit polymorphism; i.e. both 2H and 1T‧ crystal structures, each with unique electronic properties. These two phases can coexist within the same monolayer microstructure, producing 2H/1T‧ interfaces. Here we report a systematic investigation of the energetics of the experimentally most important MoS2 heterophase interfaces and edges. The stable interface and edge structures change with chemical potential (these edges/interfaces are usually non-stoichiometric). Stable edges tend to be those of highest atomic density and the stable interfaces correspond to those with local atomic structure very similar to the 2H crystal. The interfacial energies are lower than those of the edges, and the 1T‧ edges have lower energy than the 2H edges. Because the 1T‧ edges have much lower energy than the 2H edges, a sufficiently narrow 1T‧ ribbon will be more stable than the corresponding 2H ribbon (this critical width is much larger in MoTe2 than in MoS2). Similarly, a large 2H flake have an equilibrium strip of 1T‧ along its edge (again this effect is much larger in MoTe2 than in MoS2). Application of tensile strains can increase the width of the stable 1T‧ strip or the critical thickness below which a ribbon favors the 1T‧ structure. These effects provide a means to phase engineer transition metal dichalcogenide microstructures.

The influence of alloying on the phase formation sequence of ultra-thin nickel silicide films and on the inheritance of texture

NASA Astrophysics Data System (ADS)

Geenen, F. A.; Solano, E.; Jordan-Sweet, J.; Lavoie, C.; Mocuta, C.; Detavernier, C.

2018-05-01

The controlled formation of silicide materials is an ongoing challenge to facilitate the electrical contact of Si-based transistors. Due to the ongoing miniaturisation of the transistor, the silicide is trending to ever-thinner thickness's. The corresponding increase in surface-to-volume ratio emphasises the importance of low-energetic interfaces. Intriguingly, the thickness reduction of nickel silicides results in an abrupt change in phase sequence. This paper investigates the sequence of the silicides phases and their preferential orientation with respect to the Si(001) substrate, for both "thin" (i.e., 9 nm) and "ultra-thin" (i.e., 3 nm) Ni films. Furthermore, as the addition of ternary elements is often considered in order to tailor the silicides' properties, additives of Al, Co, and Pt are also included in this study. Our results show that the first silicide formed is epitaxial θ-Ni2Si, regardless of initial thickness or alloyed composition. The transformations towards subsequent silicides are changed through the additive elements, which can be understood through solubility arguments and classical nucleation theory. The crystalline alignment of the formed silicides with the substrate significantly differs through alloying. The observed textures of sequential silicides could be linked through texture inheritance. Our study illustrates the nucleation of a new phase drive to reduce the interfacial energy at the silicide-substrate interface as well as at the interface with the silicide which is being consumed for these sub-10 nm thin films.

MICRO- AND NANOSCALE MEASUREMENT METHODS FOR PHASE CHANGE HEAT TRANSFER ON PLANAR AND STRUCTURED SURFACES

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

Buongiorno, J; Cahill, DG; Hidrovo, CH

2014-07-23

In this opinion piece, we discuss recent advances in experimental methods for characterizing phase change heat transfer. We begin with a survey of techniques for high-resolution measurements of temperature and heat flux at the solid surface and in the working fluid. Next, we focus on diagnostic tools for boiling heat transfer and describe techniques for visualizing the temperature and velocity fields, as well as measurements at the single bubble level. Finally, we discuss techniques to probe the kinetics of vapor formation within a few molecular layers of the interface. We conclude with our outlook for future progress in experimental methodsmore » for phase change heat transfer.« less

Stimuli-enabled zipper-like graphene interface for auto-switchable bioelectronics.

PubMed

Mishra, Sachin; Ashaduzzaman, Md; Mishra, Prashant; Swart, Hendrik C; Turner, Anthony P F; Tiwari, Ashutosh

2017-03-15

Graphene interfaces with multi-stimuli responsiveness are of particular interest due to their diverse super-thin interfacial behaviour, which could be well suited to operating complex physiological systems in a single miniaturised domain. In general, smart graphene interfaces switch bioelectrodes from the hydrophobic to hydrophilic state, or vice versa, upon triggering. In the present work, a stimuli encoded zipper-like graphene oxide (GrO)/polymer interface was fabricated with in situ poly(N-isopropylacrylamide-co-diethylaminoethylmethylacrylate), i.e., poly(NIPAAm-co-DEAEMA) directed hierarchical self-assembly of GrO and glucose oxidase (GOx). The designed interface exhibited reversible on/off-switching of bio-electrocatalysis on changing the pH between 5 and 8, via phase transition from super hydrophilic to hydrophobic. The study further indicated that the zipper-like interfacial bioelectrochemical properties could be tuned over a modest change of temperature (i.e., 20-40°C). The resulting auto-switchable interface has implications for the design of novel on/off-switchable biodevices with 'in-built' self-control. Copyright © 2016 Elsevier B.V. All rights reserved.

Analysis of the Performance of Heat Pipes and Phase-Change Materials with Multiple Localized Heat Sources for Space Applications

DTIC Science & Technology

1989-05-01

NUMERICAL ANALYSIS OF STEFAN PROBLEMS FOR GENERALIZED MULTI- DIMENSIONAL PHASE-CHANGE STRUCTURES USING THE ENTHALPY TRANSFORMING MODEL 4.1 Summary...equation St Stefan number, cs(Tm-Tw)/H or cs(Tm-Ti)/H s circumferential distance coordinate, m, Section III s dimensionless interface position along...fluid, kg/m 3 0 viscous dissipation term in the energy eqn. (1.4), Section I; dummy variable, Section IV r dimensionless time, ta/L 2 a Stefan -Boltzmann

NEA Multi-Chamber Sample Return Container with Hermetic Sealing

NASA Technical Reports Server (NTRS)

Rafeek, Shaheed; Kong, Kin Yuen; Sadick, Shazad; Porter, Christopher C.

2000-01-01

A sample return container is being developed by Honeybee Robotics to receive samples from a derivative of the Champollion/ST4 Sample Acquisition and Transfer Mechanism or other samplers such as the 'Touch and Go' Surface Sampler (TGSS), and then hermetically seal the samples for a sample return mission. The container is enclosed in a phase change material (PCM) chamber to prevent phase change during return and re-entry to earth. This container is designed to operate passively with no motors and actuators. Using the rotation axis of the TGSS sampler for interfacing, transferring and sealing samples, the container consumes no electrical power and therefore minimizes sample temperature change. The circular container houses multiple isolated canisters, which will be sealed individually for samples acquired from different sites or depths. The TGSS based sampler indexes each canister to the sample transfer position, below the index interface for sample transfer. After sample transfer is completed, the sampler indexes a seal carrier, which lines up seals with the openings of the canisters. The sampler moves to the sealing interface and seals the sample canisters one by one. The sealing interface can be designed to work with C-seals, knife edge seals and cup seals. This sample return container is being developed by Honeybee Robotics in collaboration with the JPL Exploration Technology program. A breadboard system of the sample return container has been recently completed and tested. Additional information is contained in the original extended abstract.

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

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

Fechter, Stefan, E-mail: stefan.fechter@iag.uni-stuttgart.de; Munz, Claus-Dieter, E-mail: munz@iag.uni-stuttgart.de; Rohde, Christian, E-mail: Christian.Rohde@mathematik.uni-stuttgart.de

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevantmore » physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.« less

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.

Anti-Adhesive Behaviors between Solid Hydrate and Liquid Aqueous Phase Induced by Hydrophobic Silica Nanoparticles.

PubMed

Min, Juwon; Baek, Seungjun; Somasundaran, P; Lee, Jae W

2016-09-20

This study introduces an "anti-adhesive force" at the interface of solid hydrate and liquid solution phases. The force was induced by the presence of hydrophobic silica nanoparticles or one of the common anti-agglomerants (AAs), sorbitan monolaurate (Span 20), at the interface. The anti-adhesive force, which is defined as the maximum pushing force that does not induce the formation of a capillary bridge between the cyclopentane (CP) hydrate particle and the aqueous solution, was measured using a microbalance. Both hydrophobic silica nanoparticles and Span 20 can inhibit adhesion between the CP hydrate probe and the aqueous phase because silica nanoparticles have an aggregative property at the interface, and Span 20 enables the hydrate surface to be wetted with oil. Adding water-soluble sodium dodecyl sulfate (SDS) to the nanoparticle system cannot affect the aggregative property or the distribution of silica nanoparticles at the interface and, thus, cannot change the anti-adhesive effect. However, the combined system of Span 20 and SDS dramatically reduces the interfacial tension: emulsion drops were formed at the interface without any energy input and were adsorbed on the CP hydrate surface, which can cause the growth of hydrate particles. Silica nanoparticles have a good anti-adhesive performance with a relatively smaller dosage and are less influenced by the presence of molecular surfactants; consequently, these nanoparticles may have a good potential for hydrate inhibition as AAs.

Finite-deformation phase-field chemomechanics for multiphase, multicomponent solids

NASA Astrophysics Data System (ADS)

Svendsen, Bob; Shanthraj, Pratheek; Raabe, Dierk

2018-03-01

The purpose of this work is the development of a framework for the formulation of geometrically non-linear inelastic chemomechanical models for a mixture of multiple chemical components diffusing among multiple transforming solid phases. The focus here is on general model formulation. No specific model or application is pursued in this work. To this end, basic balance and constitutive relations from non-equilibrium thermodynamics and continuum mixture theory are combined with a phase-field-based description of multicomponent solid phases and their interfaces. Solid phase modeling is based in particular on a chemomechanical free energy and stress relaxation via the evolution of phase-specific concentration fields, order-parameter fields (e.g., related to chemical ordering, structural ordering, or defects), and local internal variables. At the mixture level, differences or contrasts in phase composition and phase local deformation in phase interface regions are treated as mixture internal variables. In this context, various phase interface models are considered. In the equilibrium limit, phase contrasts in composition and local deformation in the phase interface region are determined via bulk energy minimization. On the chemical side, the equilibrium limit of the current model formulation reduces to a multicomponent, multiphase, generalization of existing two-phase binary alloy interface equilibrium conditions (e.g., KKS). On the mechanical side, the equilibrium limit of one interface model considered represents a multiphase generalization of Reuss-Sachs conditions from mechanical homogenization theory. Analogously, other interface models considered represent generalizations of interface equilibrium conditions consistent with laminate and sharp-interface theory. In the last part of the work, selected existing models are formulated within the current framework as special cases and discussed in detail.

Comparison of the adsorbed conformation of barley lipid transfer protein at the decane-water and vacuum-water interface: a molecular dynamics simulation.

PubMed

Euston, S R; Hughes, P; Naser, Md A; Westacott, R E

2008-05-01

Molecular dynamics simulation is used to model the adsorption of the barley lipid transfer protein (LTP) at the decane-water and vacuum-water interfaces. Adsorption at both surfaces is driven by displacement of water molecules from the interfacial region. LTP adsorbed at the decane surface exhibits significant changes in its tertiary structure, and penetrates a considerable distance into the decane phase. At the vacuum-water interface LTP shows small conformational changes away from its native structure and does not penetrate into the vacuum space. Modification of the conformational stability of LTP by reduction of its four disulphide bonds leads to an increase in conformational entropy of the molecules, which reduces the driving force for adsorption. Evidence for changes in the secondary structure are also observed for native LTP at the decane-water interface and reduced LTP at the vacuum-water interface. In particular, intermittent formation of short (six-residue) regions of beta-sheet is found in these two systems. Formation of interfacial beta-sheet in adsorbed proteins has been observed experimentally, notably in the globular milk protein beta-lactoglobulin and lysozyme.

Microstructure Evolution and Failure Analysis of an Aluminum-Copper Cathode Conductive Head Produced by Explosive Welding

NASA Astrophysics Data System (ADS)

Wei, Yanni; Luo, Yongguang; Qu, Hongtao; Zou, Juntao; Liang, Shuhua

2017-12-01

In this paper, microstructure evolution and failure analysis of the aluminum-copper interface of cathode conductive heads during their use were studied. The interface morphologies, compositions, conductivity and mechanical properties were investigated and analyzed. Obvious corrosion was found on the surface of the contact interface, which was more prevalent on an Al matrix. The crack increased sharply in the local metallurgical bonding areas on the interface, with the compound volume having no significant change. The phase transformation occurred on the interface during use, which was investigated using the elemental composition and x-ray diffraction pattern. The microhardness near the interface increased accordingly. An obvious electrical conductivity decrease appeared on the Al/Cu interface of the cathode conductive head after use over a specific time interval. Therefore, the deterioration of the microstructures and corrosion are the primary factors that affect the electrical conductivity and effective bonding, which will lead to eventual failure.

Thermal Convection in a Creeping Solid With Melting/Freezing Interfaces at Either or Both Boundaries

NASA Astrophysics Data System (ADS)

Labrosse, S.; Morison, A.; Deguen, R.; Alboussiere, T.; Tackley, P. J.; Agrusta, R.

2017-12-01

Thermal convection in the solid mantles of the Earth, other terrestrial planets and icy satellites sets in while it is still crystallising from a liquid layer (see abstract by Morison et al, this conference). The existence of an ocean (water or magma) either or both below and above the solid mantle modifies the conditions applying at the boundary since matter can flow through it by changing phase. Adapting the boundary conditions developed for the dynamics of the inner core by Deguen et al (GJI 2013) to the plane layer and the spherical shell, we solve the linear stability problem and obtain weakly non-linear solutions as well as direct numerical solutions in both geometries, with a liquid-solid phase change at either or both boundaries. The phase change boundary condition is controlled by a dimensionless number, Φ , which when small, allows easy flow through the boundary while the classical non-penetrating boundary condition is recovered for large values. If both boundaries have a phase change, the preferred wavelength of the flow is large, i.e. λ ∝Φ -1/2 in a plane layer and degree 1 in a spherical shell, and the critical Rayleigh number is of order Φ . The heat transfer efficiency, as measured by the dependence of the Nusselt number on the Rayleigh number also increases indefinitely for decreasing values of Φ . If only one boundary has a phase change condition, the critical wavelength is increased by about a factor 2 and the critical Rayleigh number is decreased by about a factor 4. The dynamics is controlled entirely by the boundary layer opposite to the phase change interface and the geometry of the flow. This model provides a natural explanation for the emergence of degree 1 convection in thin ice layers and implies a style of early mantle dynamics on Earth very different from what is classically envisioned.

Method and Apparatus for Assessment of Changes in Intracranial Pressure

NASA Technical Reports Server (NTRS)

Yost, William T. (Inventor); Cantrell, John H. (Inventor)

2002-01-01

A non-invasive method and apparatus for monitoring changes in intracranial pressure which removes extracranial effects from the measurements. The method and apparatus can include the supplying of a fixed frequency electrical output to a transducer coupled to the patient's head, thereby generating an acoustical tone burst in the patient's head which generates a first echo and a second echo, the first echo reflecting from a first interface in the side of the patient's head coupled to the transducer, and the second echo reflecting from a second interface at the opposite side of the patient's head. The first and second echoes are received by the transducer which can generate a first electrical signal and a second electrical signal, wherein the first and second electrical signals vary in accordance with the corresponding first and second echoes. The counterbalancing phase shifts required to bring about quadrature between each of the first and second electrical signals and the fixed frequency electrical output can be measured, and values for the change in intracranial distance based on the changes in the counterbalancing phase shifts can be obtained.

Impedance spectroscopy of the electrode-tissue interface of living heart with isoösmotic conductivity perturbation

NASA Astrophysics Data System (ADS)

Ovadia, Marc; Zavitz, Daniel H.

2004-06-01

Impedance spectroscopy was used to solve the Pt electrode interface with metabolically active perfused living heart. Three impedance spectra were observed: the Warburg impedance ( ZW∞), a single high angle constant-phase-element, and a thin-film impedance ( ZD). When characterized again after cyclic change of ionic strength (and hence conductivity κ) each interface had one of only two spectra, with exclusion of ZW∞. The in vivo interfacial impedance spectrum is thus neither single-valued nor stable in time. Because metal|living tissue interfaces are obligatory circuit elements in biosensors and electrodes in heart and brain, the multiple-valued and thin-film character of its impedance are significant.

Phase stability in nanoscale material systems: extension from bulk phase diagrams

NASA Astrophysics Data System (ADS)

Bajaj, Saurabh; Haverty, Michael G.; Arróyave, Raymundo; Goddard Frsc, William A., III; Shankar, Sadasivan

2015-05-01

Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions.Phase diagrams of multi-component systems are critical for the development and engineering of material alloys for all technological applications. At nano dimensions, surfaces (and interfaces) play a significant role in changing equilibrium thermodynamics and phase stability. In this work, it is shown that these surfaces at small dimensions affect the relative equilibrium thermodynamics of the different phases. The CALPHAD approach for material surfaces (also termed ``nano-CALPHAD'') is employed to investigate these changes in three binary systems by calculating their phase diagrams at nano dimensions and comparing them with their bulk counterparts. The surface energy contribution, which is the dominant factor in causing these changes, is evaluated using the spherical particle approximation. It is first validated with the Au-Si system for which experimental data on phase stability of spherical nano-sized particles is available, and then extended to calculate phase diagrams of similarly sized particles of Ge-Si and Al-Cu. Additionally, the surface energies of the associated compounds are calculated using DFT, and integrated into the thermodynamic model of the respective binary systems. In this work we found changes in miscibilities, reaction compositions of about 5 at%, and solubility temperatures ranging from 100-200 K for particles of sizes 5 nm, indicating the importance of phase equilibrium analysis at nano dimensions. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01535a

Chronic impedance spectroscopy of an endovascular stent-electrode array

NASA Astrophysics Data System (ADS)

Opie, Nicholas L.; John, Sam E.; Rind, Gil S.; Ronayne, Stephen M.; Grayden, David B.; Burkitt, Anthony N.; May, Clive N.; O'Brien, Terence J.; Oxley, Thomas J.

2016-08-01

Objective. Recently, we reported a minimally invasive stent-electrode array capable of recording neural signals from within a blood vessel. We now investigate the use of electrochemical impedance spectroscopy (EIS) measurements to infer changes occurring to the electrode-tissue interface from devices implanted in a cohort of sheep for up to 190 days. Approach. In a cohort of 15 sheep, endovascular stent-electrode arrays were implanted in the superior sagittal sinus overlying the motor cortex for up to 190 days. EIS was performed routinely to quantify viable electrodes for up to 91 days. An equivalent circuit model (ECM) was developed from the in vivo measurements to characterize the electrode-tissue interface changes occurring to the electrodes chronically implanted within a blood vessel. Post-mortem histological assessment of stent and electrode incorporation into the wall of the cortical vessels was compared to the electrical impedance measurements. Main results. EIS could be used to infer electrode viability and was consistent with x-ray analysis performed in vivo, and post-mortem evaluation. Viable electrodes exhibited consistent 1 kHz impedances across the 91 day measurement period, with the peak resistance frequency for the acquired data also stable over time. There was a significant change in 100 Hz phase angles, increasing from -67.8° ± 8.8° at day 0 to -43.8° ± 0.8° at day 91, which was observed to stabilize after eight days. ECM’s modeled to the data suggested this change was due to an increase in the capacitance of the electrode-tissue interface. This was supported by histological assessment with >85% of the implanted stent struts covered with neointima and incorporated into the blood vessel within two weeks. Conclusion. This work demonstrated that EIS could be used to determine the viability of electrode implanted chronically within a blood vessel. Impedance measurements alone were not observed to be a useful predictor of alterations occurring at the electrode tissue interface. However, measurement of 100 Hz phase angles was in good agreement with the capacitive changes predicted by the ECM and consistent with suggestions that this represents protein absorption on the electrode surface. 100 Hz phase angles stabilized after 8 days, consistent with histologically assessed samples. Significance. These findings demonstrate the potential application of this technology for use as a chronic neural recording system and indicate the importance of conducting EIS as a measure to identify viable electrodes and changes occurring at the electrode-tissue interface.

Determining solid-fluid interface temperature distribution during phase change of cryogenic propellants using transient thermal modeling

NASA Astrophysics Data System (ADS)

Bellur, K.; Médici, E. F.; Hermanson, J. C.; Choi, C. K.; Allen, J. S.

2018-04-01

Control of boil-off of cryogenic propellants is a continuing technical challenge for long duration space missions. Predicting phase change rates of cryogenic liquids requires an accurate estimation of solid-fluid interface temperature distributions in regions where a contact line or a thin liquid film exists. This paper described a methodology to predict inner wall temperature gradients with and without evaporation using discrete temperature measurements on the outer wall of a container. Phase change experiments with liquid hydrogen and methane in cylindrical test cells of various materials and sizes were conducted at the Neutron Imaging Facility at the National Institute of Standards and Technology. Two types of tests were conducted. The first type of testing involved thermal cycling of an evacuated cell (dry) and the second involved controlled phase change with cryogenic liquids (wet). During both types of tests, temperatures were measured using Si-diode sensors mounted on the exterior surface of the test cells. Heat is transferred to the test cell by conduction through a helium exchange gas and through the cryostat sample holder. Thermal conduction through the sample holder is shown to be the dominant mode with the rate of heat transfer limited by six independent contact resistances. An iterative methodology is employed to determine contact resistances between the various components of the cryostat stick insert, test cell and lid using the dry test data. After the contact resistances are established, inner wall temperature distributions during wet tests are calculated.

Salt effects in surfactant-free microemulsions

NASA Astrophysics Data System (ADS)

Schöttl, Sebastian; Horinek, Dominik

2018-06-01

The weakly associated micellar aggregates found in the so-called "pre-ouzo region" of the surfactant-free microemulsion water/ethanol/1-octanol are sensitive to changes in the system composition and also to the presence of additives like salt. In this work, we study the influence of two salts, sodium iodide and lithium chloride, on aggregates in water/ethanol/1-octanol by molecular dynamics simulations. In both cases, ethanol concentration in the nonpolar phase and at the interface is increased due to a salting out effect on ethanol in the aqueous pseudo-phase. In addition, minor charging of the interface as a consequence of differential adsorption of anions and cations occurs. However, this charge separation is overall weakened by the erratic surface of octanol aggregates, where polar hydroxyl groups and hydrophobic patches are both present. Furthermore, ethanol at the interface shields hydrophobic patches and reduces the preferential adsorption of iodide and lithium.

Band transition and topological interface modes in 1D elastic phononic crystals.

PubMed

Yin, Jianfei; Ruzzene, Massimo; Wen, Jihong; Yu, Dianlong; Cai, Li; Yue, Linfeng

2018-05-01

In this report, we design a one-dimensional elastic phononic crystal (PC) comprised of an Aluminum beam with periodically arranged cross-sections to study the inversion of bulk bands due to the change of topological phases. As the geometric parameters of the unit cell varies, the second bulk band closes and reopens forming a topological transition point. This phenomenon is confirmed for both longitudinal waves and bending waves. By constructing a structural system formed by two PCs with different topological phases, for the first time, we experimentally demonstrate the existence of interface mode within the bulk band gap as a result of topological transition for both longitudinal and bending modes in elastic systems, although for bending modes, additional conditions have to be met in order to have the interface mode due to the dispersive nature of the bending waves in uniform media compared to the longitudinal waves.

Coupling mediated by photorefractive phase grating between visible radiation and surface plasmon polaritons in iron-doped LiNbO3 crystal slabs coated with indium-tin oxide

NASA Astrophysics Data System (ADS)

Wang, Hao; Zhao, Hua; Xu, Chao; Li, Liang; Hu, Guangwei; Zhang, Jingwen

2014-10-01

Photorefractive (PR) phase gratings were used in coupling energy between visible light and surface plasmon polaritons in indium-tin oxide (ITO)-coated iron-doped lithium niobate (Fe:LN) crystal slabs via electrostatic modification at the ITO/LN interface based on a strong photovoltaic effect. The energy coupling is considered to be responsible for several interesting observations: (1) dynamic reflectivity change from 3.25 to 37.0% of the very first reflection at the entrance slab interface, (2) total light reflectivity as high as 89%, and (3) two-dimensional diffraction patterns without external feedback needed.

Kinetics of pulse photothermal surface deformation as a method of studying the phase interface movement in a first-order phase transition

NASA Astrophysics Data System (ADS)

Vintzentz, S. V.; Kiselev, V. F.; Levshin, N. L.; Sandomirskii, V. B.

1991-01-01

The photothermal surface deformation (PTSD) method is used for characterization of the first-order phase transition (PT) for the first time. The advantages of the method are demonstrated experimentally for the well known metal-to-semiconductor PT in VO 2. It is found that near the PT temperature the PTSD pulse in a VO 2 film has a sign opposite to that of the thermoelastic response. The conclusion is drawn that this phenomenon is determined primarily by the contribution of the decrease in the specific volume (Δ V/ V) of the substance involved in the semiconductor-to-metal PT. The sign of Δ V/ V for a submicron polycrystalline VO 2 film is determined. Besides, analysis shows that in the PTSD kinetics measured as a whole we can "separate" a law for the metal-semicon- ductor interface movement (i.e. the interface moves towards the interior of the film when the latter is heated and back towards the surface when it is cooling down). The relative density change due to the PT is estimated based on this law.

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

Carbon nanotubes in blends of polycaprolactone/thermoplastic starch.

PubMed

Taghizadeh, Ata; Favis, Basil D

2013-10-15

Despite the importance of polymer-polymer multiphase systems, very little work has been carried out on the preferred localization of solid inclusions in such multiphase systems. In this work, carbon nanotubes (CNT) are dispersed with polycaprolactone (PCL) and thermoplastic starch (TPS) at several CNT contents via a combined solution/twin-screw extrusion melt mixing method. A PCL/CNT masterbatch was first prepared and then blended with 20 wt% TPS. Transmission and scanning electron microscopy images reveal a CNT localization principally in the TPS phase and partly at the PCL/TPS interface, with no further change by annealing. This indicates a strong driving force for the CNTs toward TPS. Young's model predicts that the nanotubes should be located at the interface. X-ray photoelectron spectroscopy (XPS) of extracted CNTs quantitatively confirms an encapsulation by TPS and reveals a covalent bonding of CNTs with thermoplastic starch. It appears likely that the nanotubes migrate to the interface, react with TPS and then are subsequently drawn into the low viscosity TPS phase. In a low shear rate/low shear stress internal mixer the nanotubes are found both in the PCL phase and at the PCL/TPS interface and have not completed the transit to the TPS phase. This latter result indicates the importance of choosing appropriate processing conditions in order to minimize kinetic effects. The addition of CNTs to PCL results in an increase in the crystallization temperature and a decrease in the percent crystallinity confirming the heterogeneous nucleating effect of the nanotubes. Finally, DMA analysis reveals a dramatic decrease in the starch rich phase transition temperature (~26 °C), for the system with nanotubes located in the TPS phase. Copyright © 2013 Elsevier Ltd. All rights reserved.

Hydro-Thermal Fatigue Resistance Measurements on Polymer Interfaces

NASA Astrophysics Data System (ADS)

Gurumurthy, Charan K.; Kramer, Edward J.; Hui, Chung-Yuen

1998-03-01

We have developed a new technique based on a fiber optic displacement sensor for rapid determination of hydro-thermal fatigue crack growth rate per cycle (da/dN) of an epoxy/polyimide interface used in flip chip attach microelectronic assembly. The sample is prepared as a trilayered cantilever beam by capillary flow of the epoxy underfill over a polyimide coated metallic beam. During hydro-thermal cycling the crack growth along the interface (from the free end) changes the displacement of this end of the beam and we measure the free end displacement at the lowest temperature in each hydro-thermal cycle. The change in beam displacement is then converted into crack growth rate (da/dN). da/dN depends on the maximum change in the strain energy release rate of the crack and the phase angle in each cycle. The relation between da/dN and maximum strain energy release rate characterizes the fatigue crack growth resistance of the interface. We have developed and used a simple model anhydride cured and a commercially available PMDA/ODA passivation for this study.

Optical Diagnostics of Solution Crystal Growth

NASA Technical Reports Server (NTRS)

Kim, Yongkee; Reddy, B. R.; George, T. G.; Lal, R. B.

1996-01-01

Non-contact optical techniques such as, optical heterodyne, ellipsometry and interferometry, for real time in-situ monitoring of solution crystal growth are demonstrated. Optical heterodyne technique has the capability of measuring the growth rate as small as 1A/sec. In a typical Michelson interferometer set up, the crystal is illuminated by a Zeeman laser with frequency omega(sub 1) and the reference beam with frequency omega(sub 2). As the crystal grows, the phase of the rf signal changes with respect to the reference beam and this phase change is related to the crystal growth rate. This technique is demonstrated with two examples: (1) by measuring the copper tip expansion/shrinkage rate and (2) by measuring the crystal growth rate of L-Arginine Phosphate (LAP). The first test shows that the expansion/shrinkage rate of copper tip was fast in the beginning, and gets slower as the expansion begins to stabilize with time. In crystal growth, the phase change due the crystal growth is measured using a phase meter and a strip chart recorder. Our experimental results indicate a varied growth rate from 69.4 to 92.6A per sec. The ellipsometer is used to study the crystal growth interface. From these measurements and a theoretical modeling of the interface, the various optical parameters can be deduced. Interferometry can also be used to measure the growth rate and concentration gradient in the vicinity of the crystal.

The influence of the ion plasma flow on the phase composition and microhardness of carbon coatings doped with metals

NASA Astrophysics Data System (ADS)

Rudenkov, A. S.; Piliptsou, D. G.; Luchnikov, P. A.; Rogachev, A. V.; Jiang, Xiaohong; Fedosenko, N. N.

2018-01-01

The Raman spectroscopy method established that subsequent treatment with ion ions leads to a change in the microstructure of coatings based on carbon and metals. It is established that the structure change is determined by the changes occurring at the interface and depends on the sp3 → sp2 phase transition due to the appearance of local thermal peaks at the end of tracks of nitrogen ions implanted in the coating volume. It is shown that the microhardness of metal-carbon coatings (α-C: Cu, α-C: Ti, α-C:Al) increases after ion-plasma treatment, which is determined by the formation of solid interstitial phases based on CNx and metal carbonitrides.

Competitive Adsorption between Nanoparticles and Surface Active Ions for the Oil-Water Interface.

PubMed

Hua, Xiaoqing; Bevan, Michael A; Frechette, Joelle

2018-04-24

Nanoparticles (NPs) can add functionality (e.g., catalytic, optical, rheological) to an oil-water interface. Adsorption of ∼10 nm NPs can be reversible; however, the mechanisms for adsorption and its effects on surface pressure remain poorly understood. Here we demonstrate how the competitive reversible adsorption of NPs and surfactants at fluid interfaces can lead to independent control of both the adsorbed amount and surface pressure. In contrast to prior work, both species investigated (NPs and surfactants) interact reversibly with the interface and without the surface active species binding to NPs. Independent measurements of the adsorption and surface pressure isotherms allow determination of the equation of state (EOS) of the interface under conditions where the NPs and surfactants are both in dynamic equilibrium with the bulk phase. The adsorption and surface pressure measurements are performed with gold NPs of two different sizes (5 and 10 nm), at two pH values, and across a wide concentration range of surfactant (tetrapentylammonium, TPeA + ) and NPs. We show that free surface active ions compete with NPs for the interface and give rise to larger surface pressures upon the adsorption of NPs. Through a competitive adsorption model, we decouple the contributions of NPs wetting at the interface and their surface activity on the measured surface pressure. We also demonstrate reversible control of adsorbed amount via changes in the surfactant concentration or the aqueous phase pH.

An investigation on microstructure and mechanical property of thermally aged stainless steel weld overlay cladding

NASA Astrophysics Data System (ADS)

Cao, X. Y.; Zhu, P.; Ding, X. F.; Lu, Y. H.; Shoji, T.

2017-04-01

Microstructural evolution and mechanical property change of E308L stainless steel weld overlay cladding aged at 400 °C for 400, 1000 and 5000 h were investigated by transmission electron microscope (TEM) and small punch test (SPT). The results indicated that thermal aging had no obvious effect on the volume fraction of ferrite, but can cause microstructural evolution by spinodal decomposotion and G-phase precipitation in the ferrite phase. Spinodal decomposition took place after aging up to 1000 h, while G-phase formed along dislocations, and growed up to 2-11 nm after aging for 5000 h. The total energy for inducing deformation and fracture by the small punch tests decreased with the increase of thermal aging time, and this decline was associated with spinodal decomposition and G-phase precipitation. Plastic deformation of the aged ferrite proceeded via formation of curvilinear slip bands. Nucleation of microcracks occurred at the δ/γ interface along the slip bands. The hardening of the ferrite and high stress concentration on δ/γ phase interface resulted in brittle fracture and phase boundary separation after thermal aging.

Two-Fluid Models and Interfacial Area Transport in Microgravity Condition

NASA Technical Reports Server (NTRS)

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

2004-01-01

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

Use of Advanced Characterization Techniques to Study Structural and Compositional Transitions Across Solid State Interfaces (Preprint)

DTIC Science & Technology

2011-07-01

and ω phases, is shown in Figure 4a. While these α precipitates exhibit a lenticular morphology, the ω precipitates exhibit a more ellipsoidal...morphology. Subsequent isothermal annealing at 400°C for 2 hours resulted in two changes, namely, growth and coarsening of the lenticular α...contrast) imaging studies on the nanometer scale lenticular α precipitates and their interface with the surrounding β matrix were carried out in the

Role of Interfaces in Elasticity and Failure of Clay-Organic Nanocomposites: Toughening upon Interface Weakening?

PubMed

Hantal, György; Brochard, Laurent; Pellenq, Roland J-M; Ulm, Franz-Joseph; Coasne, Benoit

2017-10-24

Synthetic organic-inorganic composites constitute a new class of engineering materials finding applications in an increasing range of fields. The interface between the constituting phases plays a pivotal role in the enhancement of mechanical properties. In exfoliated clay-organic nanocomposites, individual, high aspect ratio clay sheets are dispersed in the organic matrix providing large interfaces and hence efficient stress transfer. In this study, we aim at elucidating molecular-scale reinforcing mechanisms in a series of model clay-organic composite systems by means of reactive molecular simulations. In our models, two possible locations of failure initiation are present: one is the interlayer space of the clay platelet, and the other one is the clay-organic interface. We systematically modify the cohesiveness of the interface and assess how the failure mechanism changes when the different model composites are subjected to a tensile test. Besides a change in the failure mechanism, an increase in the released energy at the interface (meaning an increased overall toughness) are observed upon weakening the interface by bond removal. We propose a theoretical analysis of these results by considering a cohesive law that captures the effect of the interface on the composite mechanics. We suggest an atomistic interpretation of this cohesive law, in particular, how it relates to the degree of bonding at the interface. In a broader perspective, this work sheds light on the importance of the orthogonal behavior of interfaces to nanocomposites.

Morphological variation of stimuli-responsive polypeptide at air-water interface

NASA Astrophysics Data System (ADS)

Shin, Sungchul; Ahn, Sungmin; Cheng, Jie; Chang, Hyejin; Jung, Dae-Hong; Hyun, Jinho

2016-12-01

The morphological variation of stimuli-responsive polypeptide molecules at the air-water interface as a function of temperature and compression was described. The surface pressure-area (π-A) isotherms of an elastin-like polypeptide (ELP) monolayer were obtained under variable external conditions, and Langmuir-Blodgett (LB) monolayers were deposited onto a mica substrate for characterization. As the compression of the ELP monolayer increased, the surface pressure increased gradually, indicating that the ELP monolayer could be prepared with high stability at the air-water interface. The temperature in the subphase of the ELP monolayer was critical in the preparation of LB monolayers. The change in temperature induced a shift in the π-A isotherms as well as a change in ELP secondary structures. Surprisingly, the compression of the ELP monolayer influenced the ELP secondary structure due to the reduction in the phase transition temperature with decreasing temperature. The change in the ELP secondary structure formed at the air-water interface was investigated by surface-enhanced Raman scattering. Moreover, the morphology of the ELP monolayer was subsequently imaged using atomic force microscopy. The temperature responsive behavior resulted in changes in surface morphology from relatively flat structures to rugged labyrinth structures, which suggested conformational changes in the ELP monolayers.

Kinetics-based phase change approach for VOF method applied to boiling flow

NASA Astrophysics Data System (ADS)

Cifani, Paolo; Geurts, Bernard; Kuerten, Hans

2014-11-01

Direct numerical simulations of boiling flows are performed to better understand the interaction of boiling phenomena with turbulence. The multiphase flow is simulated by solving a single set of equations for the whole flow field according to the one-fluid formulation, using a VOF interface capturing method. Interface terms, related to surface tension, interphase mass transfer and latent heat, are added at the phase boundary. The mass transfer rate across the interface is derived from kinetic theory and subsequently coupled with the continuum representation of the flow field. The numerical model was implemented in OpenFOAM and validated against 3 cases: evaporation of a spherical uniformly heated droplet, growth of a spherical bubble in a superheated liquid and two dimensional film boiling. The computational model will be used to investigate the change in turbulence intensity in a fully developed channel flow due to interaction with boiling heat and mass transfer. In particular, we will focus on the influence of the vapor bubble volume fraction on enhancing heat and mass transfer. Furthermore, we will investigate kinetic energy spectra in order to identify the dynamics associated with the wakes of vapor bubbles. Department of Applied Mathematics, 7500 AE Enschede, NL.

In situ investigation of explosive crystallization in a-Ge: Experimental determination of the interface response function using dynamic transmission electron microscopy

NASA Astrophysics Data System (ADS)

Nikolova, Liliya; Stern, Mark J.; MacLeod, Jennifer M.; Reed, Bryan W.; Ibrahim, Heide; Campbell, Geoffrey H.; Rosei, Federico; LaGrange, Thomas; Siwick, Bradley J.

2014-09-01

The crystallization of amorphous semiconductors is a strongly exothermic process. Once initiated the release of latent heat can be sufficient to drive a self-sustaining crystallization front through the material in a manner that has been described as explosive. Here, we perform a quantitative in situ study of explosive crystallization in amorphous germanium using dynamic transmission electron microscopy. Direct observations of the speed of the explosive crystallization front as it evolves along a laser-imprinted temperature gradient are used to experimentally determine the complete interface response function (i.e., the temperature-dependent front propagation speed) for this process, which reaches a peak of 16 m/s. Fitting to the Frenkel-Wilson kinetic law demonstrates that the diffusivity of the material locally/immediately in advance of the explosive crystallization front is inconsistent with those of a liquid phase. This result suggests a modification to the liquid-mediated mechanism commonly used to describe this process that replaces the phase change at the leading amorphous-liquid interface with a change in bonding character (from covalent to metallic) occurring in the hot amorphous material.

Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model

NASA Astrophysics Data System (ADS)

Salvalaglio, Marco; Backofen, Rainer; Voigt, Axel; Elder, Ken R.

2017-08-01

One of the major difficulties in employing phase-field crystal (PFC) modeling and the associated amplitude (APFC) formulation is the ability to tune model parameters to match experimental quantities. In this work, we address the problem of tuning the defect core and interface energies in the APFC formulation. We show that the addition of a single term to the free-energy functional can be used to increase the solid-liquid interface and defect energies in a well-controlled fashion, without any major change to other features. The influence of the newly added term is explored in two-dimensional triangular and honeycomb structures as well as bcc and fcc lattices in three dimensions. In addition, a finite-element method (FEM) is developed for the model that incorporates a mesh refinement scheme. The combination of the FEM and mesh refinement to simulate amplitude expansion with a new energy term provides a method of controlling microscopic features such as defect and interface energies while simultaneously delivering a coarse-grained examination of the system.

Electric Field Induced Interfacial Instabilities

NASA Technical Reports Server (NTRS)

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

1999-01-01

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

A positivity preserving and conservative variational scheme for phase-field modeling of two-phase flows

NASA Astrophysics Data System (ADS)

Joshi, Vaibhav; Jaiman, Rajeev K.

2018-05-01

We present a positivity preserving variational scheme for the phase-field modeling of incompressible two-phase flows with high density ratio. The variational finite element technique relies on the Allen-Cahn phase-field equation for capturing the phase interface on a fixed Eulerian mesh with mass conservative and energy-stable discretization. The mass conservation is achieved by enforcing a Lagrange multiplier which has both temporal and spatial dependence on the underlying solution of the phase-field equation. To make the scheme energy-stable in a variational sense, we discretize the spatial part of the Lagrange multiplier in the phase-field equation by the mid-point approximation. The proposed variational technique is designed to reduce the spurious and unphysical oscillations in the solution while maintaining the second-order accuracy of both spatial and temporal discretizations. We integrate the Allen-Cahn phase-field equation with the incompressible Navier-Stokes equations for modeling a broad range of two-phase flow and fluid-fluid interface problems. The coupling of the implicit discretizations corresponding to the phase-field and the incompressible flow equations is achieved via nonlinear partitioned iterative procedure. Comparison of results between the standard linear stabilized finite element method and the present variational formulation shows a remarkable reduction of oscillations in the solution while retaining the boundedness of the phase-indicator field. We perform a standalone test to verify the accuracy and stability of the Allen-Cahn two-phase solver. We examine the convergence and accuracy properties of the coupled phase-field solver through the standard benchmarks of the Laplace-Young law and a sloshing tank problem. Two- and three-dimensional dam break problems are simulated to assess the capability of the phase-field solver for complex air-water interfaces involving topological changes on unstructured meshes. Finally, we demonstrate the phase-field solver for a practical offshore engineering application of wave-structure interaction.

Contact resistance change memory using N-doped Cr2Ge2Te6 phase-change material showing non-bulk resistance change

NASA Astrophysics Data System (ADS)

Shuang, Y.; Sutou, Y.; Hatayama, S.; Shindo, S.; Song, Y. H.; Ando, D.; Koike, J.

2018-04-01

Phase-change random access memory (PCRAM) is enabled by a large resistance contrast between amorphous and crystalline phases upon reversible switching between the two states. Thus, great efforts have been devoted to identifying potential phase-change materials (PCMs) with large electrical contrast to realize a more accurate reading operation. In contrast, although the truly dominant resistance in a scaled PCRAM cell is contact resistance, less attention has been paid toward the investigation of the contact property between PCMs and electrode metals. This study aims to propose a non-bulk-resistance-dominant PCRAM whose resistance is modulated only by contact. The contact-resistance-dominated PCM exploited here is N-doped Cr2Ge2Te6 (NCrGT), which exhibits almost no electrical resistivity difference between the two phases but exhibits a typical switching behavior involving a three-order-of-magnitude SET/RESET resistance ratio owing to its large contact resistance contrast. The conduction mechanism was discussed on the basis of current-voltage characteristics of the interface between the NCrGT and the W electrode.

Properties of interfaces and transport across them.

PubMed

Cabezas, H

2000-01-01

Much of the biological activity in cell cytoplasm occurs in compartments some of which may be formed, as suggested in this book, by phase separation, and many of the functions of such compartments depend on the transport or exchange of molecules across interfaces. Thus a fundamentally based discussion of the properties of phases, interfaces, and diffusive transport across interfaces has been given to further elucidate these phenomena. An operational criterion for the width of interfaces is given in terms of molecular and physical arguments, and the properties of molecules inside phases and interfaces are discussed in terms of molecular arguments. In general, the properties of the interface become important when the molecules diffusing across are smaller than the width of the interface. Equilibrium partitioning, Donnan phenomena, and electrochemical potentials at interfaces are also discussed in detail. The mathematical expressions for modeling transport across interfaces are discussed in detail. These describe a practical and detailed model for transport across interfaces. For molecules smaller than the width of the interface, this includes a detailed model for diffusion inside the interface. Last, the question of the time scale for phase formation and equilibration in biological systems is discussed.

Irradiation induced structural change in Mo 2Zr intermetallic phase

DOE PAGES

Gan, J.; Keiser, Jr., D. D.; Miller, B. D.; ...

2016-05-14

The Mo 2Zr phase has been identified as a major interaction product at the interface of U-10Mo and Zr. Transmission electron microscopy in-situ irradiation with Kr ions at 200 °C with doses up to 2.0E+16 ions/cm 2 was carried out to investigate the radiation stability of the Mo 2Zr. The Mo 2Zr undergoes a radiation-induced structural change, from a large cubic (cF24) to a small cubic (cI2), along with an estimated 11.2% volume contraction without changing its composition. The structural change begins at irradiation dose below 1.0E+14 ions/cm 2. Furthermore, the transformed Mo 2Zr phase demonstrates exceptional radiation tolerance withmore » the development of dislocations without bubble formation.« less

Bipartite fidelity and Loschmidt echo of the bosonic conformal interface

NASA Astrophysics Data System (ADS)

Zhou, Tianci; Lin, Mao

2017-12-01

We study the quantum quench problem for a class of bosonic conformal interfaces by computing the Loschmidt echo and the bipartite fidelity. The quench can be viewed as a sudden change of boundary conditions parametrized by θ when connecting two one-dimensional critical systems. They are classified by S (θ ) matrices associated with the current scattering processes on the interface. The resulting Loschmidt echo of the quench has long time algebraic decay t-α, whose exponent also appears in the finite size bipartite fidelity as L-α/2. We perform analytic and numerical calculations of the exponent α , and find that it has a quadratic dependence on the change of θ if the prior and post-quench boundary conditions are of the same type of S , while remaining 1/4 otherwise. Possible physical realizations of these interfaces include, for instance, connecting different quantum wires (Luttinger liquids), quench of the topological phase edge states, etc., and the exponent can be detected in an x-ray edge singularity-type experiment.

Cutting Modeling of Hybrid CFRP/Ti Composite with Induced Damage Analysis

PubMed Central

Xu, Jinyang; El Mansori, Mohamed

2016-01-01

In hybrid carbon fiber reinforced polymer (CFRP)/Ti machining, the bi-material interface is the weakest region vulnerable to severe damage formation when the tool cutting from one phase to another phase and vice versa. The interface delamination as well as the composite-phase damage is the most serious failure dominating the bi-material machining. In this paper, an original finite element (FE) model was developed to inspect the key mechanisms governing the induced damage formation when cutting this multi-phase material. The hybrid composite model was constructed by establishing three disparate physical constituents, i.e., the Ti phase, the interface, and the CFRP phase. Different constitutive laws and damage criteria were implemented to build up the entire cutting behavior of the bi-material system. The developed orthogonal cutting (OC) model aims to characterize the dynamic mechanisms of interface delamination formation and the affected interface zone (AIZ). Special focus was made on the quantitative analyses of the parametric effects on the interface delamination and composite-phase damage. The numerical results highlighted the pivotal role of AIZ in affecting the formation of interface delamination, and the significant impacts of feed rate and cutting speed on delamination extent and fiber/matrix failure. PMID:28787824

Aqueous-organic phase-transfer of highly stable gold, silver, and platinum nanoparticles and new route for fabrication of gold nanofilms at the oil/water interface and on solid supports.

PubMed

Feng, Xingli; Ma, Houyi; Huang, Shaoxin; Pan, Wei; Zhang, Xiaokai; Tian, Fang; Gao, Caixia; Cheng, Yingwen; Luo, Jingli

2006-06-29

A simple but effective aqueous-organic phase-transfer method for gold, silver, and platinum nanoparticles was developed on the basis of the decrease of the PVP's solubility in water with the temperature increase. The present method is superior in the transfer efficiency of highly stable nanoparticles to the common phase-transfer methods. The gold, silver, and platinum nanoparticles transferred to the 1-butanol phase dispersed well, especially silver and platinum particles almost kept the previous particle size. Electrochemical synthesis of gold nanoparticles in an oil-water system was achieved by controlling the reaction temperature at 80 degrees C, which provides great conveniences for collecting metal particles at the oil/water interface and especially for fabricating dense metal nanoparticle films. A technique to fabricate gold nanofilms on solid supports was also established. The shapes and sizes of gold nanoparticles as the building blocks may be controllable through changing reaction conditions.

Crystal Phase Quantum Well Emission with Digital Control.

PubMed

Assali, S; Lähnemann, J; Vu, T T T; Jöns, K D; Gagliano, L; Verheijen, M A; Akopian, N; Bakkers, E P A M; Haverkort, J E M

2017-10-11

One of the major challenges in the growth of quantum well and quantum dot heterostructures is the realization of atomically sharp interfaces. Nanowires provide a new opportunity to engineer the band structure as they facilitate the controlled switching of the crystal structure between the zinc-blende (ZB) and wurtzite (WZ) phases. Such a crystal phase switching results in the formation of crystal phase quantum wells (CPQWs) and quantum dots (CPQDs). For GaP CPQWs, the inherent electric fields due to the discontinuity of the spontaneous polarization at the WZ/ZB junctions lead to the confinement of both types of charge carriers at the opposite interfaces of the WZ/ZB/WZ structure. This confinement leads to a novel type of transition across a ZB flat plate barrier. Here, we show digital tuning of the visible emission of WZ/ZB/WZ CPQWs in a GaP nanowire by changing the thickness of the ZB barrier. The energy spacing between the sharp emission lines is uniform and is defined by the addition of single ZB monolayers. The controlled growth of identical quantum wells with atomically flat interfaces at predefined positions featuring digitally tunable discrete emission energies may provide a new route to further advance entangled photons in solid state quantum systems.

Nonlinear behaviour of reflectivity of gallium - Silica interface & its applications

NASA Astrophysics Data System (ADS)

Naruka, Preeti; Bissa, Shivangi

2018-05-01

In this paper Optical properties and nonlinear behaviour of Gallium-Silica Interface is studied. Change in reflectivity of gallium film is explained as a function of thickness of metallic layer and intensity of incident light by using non-thermal mechanism. Here variation of dielectric constant of gallium with temperature is also explained on considering Binary nanoshell model of gallium nanoparticles of spherical shape. In the present paper application of structural phase transformation of gallium is explained as a Grating assisted coupler.

Investigation of local evaporation flux and vapor-phase pressure at an evaporative droplet interface.

PubMed

Duan, Fei; Ward, C A

2009-07-07

In the steady-state experiments of water droplet evaporation, when the throat was heating at a stainless steel conical funnel, the interfacial liquid temperature was found to increase parabolically from the center line to the rim of the funnel with the global vapor-phase pressure at around 600 Pa. The energy conservation analysis at the interface indicates that the energy required for evaporation is maintained by thermal conduction to the interface from the liquid and vapor phases, thermocapillary convection at interface, and the viscous dissipation globally and locally. The local evaporation flux increases from the center line to the periphery as a result of multiple effects of energy transport at the interface. The local vapor-phase pressure predicted from statistical rate theory (SRT) is also found to increase monotonically toward the interface edge from the center line. However, the average value of the local vapor-phase pressures is in agreement with the measured global vapor-phase pressure within the measured error bar.

Effects of supercritical environment on hydrocarbon-fuel injection

NASA Astrophysics Data System (ADS)

Shin, Bongchul; Kim, Dohun; Son, Min; Koo, Jaye

2017-04-01

In this study, the effects of environment conditions on decane were investigated. Decane was injected in subcritical and supercritical ambient conditions. The visualization chamber was pressurized to 1.68 MPa by using nitrogen gas at a temperature of 653 K for subcritical ambient conditions. For supercritical ambient conditions, the visualization chamber was pressurized to 2.52 MPa by using helium at a temperature of 653 K. The decane injection in the pressurized chamber was visualized via a shadowgraph technique and gradient images were obtained by a post processing method. A large variation in density gradient was observed at jet interface in the case of subcritical injection in subcritical ambient conditions. Conversely, for supercritical injection in supercritical ambient conditions, a small density gradient was observed at the jet interface. In a manner similar to that observed in other cases, supercritical injection in subcritical ambient conditions differed from supercritical ambient conditions such as sphere shape liquid. Additionally, there were changes in the interface, and the supercritical injection core width was thicker than that in the subcritical injection. Furthermore, in cases with the same injection conditions, the change in the supercritical ambient normalized core width was smaller than the change in the subcritical ambient normalized core width owing to high specific heat at the supercritical injection and small phase change at the interface. Therefore, the interface was affected by the changing ambient condition. Given that the effect of changing the thermodynamic properties of propellants could be essential for a variable thrust rocket engine, the effects of the ambient conditions were investigated experimentally.

The interaction of evaporative and convective instabilities

NASA Astrophysics Data System (ADS)

Ozen, O.

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

Imaging at an x-ray absorption edge using free electron laser pulses for interface dynamics in high energy density systems [Resonant phase contrast imaging for interface physics

DOE PAGES

Beckwith, M. A.; Jiang, S.; Schropp, A.; ...

2017-05-01

Tuning the energy of an x-ray probe to an absorption line or edge can provide material-specific measurements that are particularly useful for interfaces. Simulated hard x-ray images above the Fe K-edge are presented to examine ion diffusion across an interface between Fe 2O 3 and SiO 2 aerogel foam materials. The simulations demonstrate the feasibility of such a technique for measurements of density scale lengths near the interface with submicron spatial resolution. A proof-of-principle experiment is designed and performed at the Linac coherent light source facility. Preliminary data show the change of the interface after shock compression and heating withmore » simultaneous fluorescence spectra for temperature determination. Here, the results provide the first demonstration of using x-ray imaging at an absorption edge as a diagnostic to detect ultrafast phenomena for interface physics in high-energy-density systems.« less

Microstructural Evolution of the Interface Between Pure Titanium and Low Melting Point Zr-Ti-Ni(Cu) Filler Metals

NASA Astrophysics Data System (ADS)

Lee, Dongmyoung; Sun, Juhyun; Kang, Donghan; Shin, Seungyoung; Hong, Juhwa

2014-12-01

Low melting point Zr-based filler metals with melting point depressants (MPDs) such as Cu and Ni elements are used for titanium brazing. However, the phase transition of the filler metals in the titanium joint needs to be explained, since the main element of Zr in the filler metals differs from that of the parent titanium alloys. In addition, since the MPDs easily form brittle intermetallics, that deteriorate joint properties, the phase evolution they cause needs to be studied. Zr-based filler metals having Cu content from 0 to 12 at. pct and Ni content from 12 to 24 at. pct with a melting temperature range of 1062 K to 1082 K (789 °C to 809 °C) were wetting-tested on a titanium plate to investigate the phase transformation and evolution at the interface between the titanium plate and the filler metals. In the interface, the alloys system with Zr, Zr2Ni, and (Ti,Zr)2Ni phases was easily changed to a Ti-based alloy system with Ti, Ti2Ni, and (Ti,Zr)2Ni phases, by the local melting of parent titanium. The dissolution depths of the parent metal were increased with increasing Ni content in the filler metals because Ni has a faster diffusion rate than Cu. Instead, slow diffusion of Cu into titanium substrate leads to the accumulation of Cu at the molten zone of the interface, which could form undesirable Ti x Cu y intermetallics. This study confirmed that Zr-based filler metals are compatible with the parent titanium metal with the minimum content of MPDs.

Atom-probe tomography and transmission electron microscopy of the kamacite-taenite interface in the fast-cooled Bristol IVA iron meteorite

NASA Astrophysics Data System (ADS)

Rout, Surya S.; Heck, Philipp R.; Isheim, Dieter; Stephan, Thomas; Zaluzec, Nestor J.; Miller, Dean J.; Davis, Andrew M.; Seidman, David N.

2017-12-01

We report the first combined atom-probe tomography (APT) and transmission electron microscopy (TEM) study of a kamacite-tetrataenite (K-T) interface region within an iron meteorite, Bristol (IVA). Ten APT nanotips were prepared from the K-T interface with focused ion beam scanning electron microscopy (FIB-SEM) and then studied using TEM followed by APT. Near the K-T interface, we found 3.8 ± 0.5 wt% Ni in kamacite and 53.4 ± 0.5 wt% Ni in tetrataenite. High-Ni precipitate regions of the cloudy zone (CZ) have 50.4 ± 0.8 wt% Ni. A region near the CZ and martensite interface has <10 nm sized Ni-rich precipitates with 38.4 ± 0.7 wt% Ni present within a low-Ni matrix having 25.5 ± 0.6 wt% Ni. We found that Cu is predominantly concentrated in tetrataenite, whereas Co, P, and Cr are concentrated in kamacite. Phosphorus is preferentially concentrated along the K-T interface. This study is the first precise measurement of the phase composition at high spatial resolution and in 3-D of the K-T interface region in a IVA iron meteorite and furthers our knowledge of the phase composition changes in a fast-cooled iron meteorite below 400 °C. We demonstrate that APT in conjunction with TEM is a useful approach to study the major, minor, and trace elemental composition of nanoscale features within fast-cooled iron meteorites.

Numerical formulation for the prediction of solid/liquid change of a binary alloy

NASA Technical Reports Server (NTRS)

Schneider, G. E.; Tiwari, S. N.

1990-01-01

A computational model is presented for the prediction of solid/liquid phase change energy transport including the influence of free convection fluid flow in the liquid phase region. The computational model considers the velocity components of all non-liquid phase change material control volumes to be zero but fully solves the coupled mass-momentum problem within the liquid region. The thermal energy model includes the entire domain and uses an enthalpy like model and a recently developed method for handling the phase change interface nonlinearity. Convergence studies are performed and comparisons made with experimental data for two different problem specifications. The convergence studies indicate that grid independence was achieved and the comparison with experimental data indicates excellent quantitative prediction of the melt fraction evolution. Qualitative data is also provided in the form of velocity vector diagrams and isotherm plots for selected times in the evolution of both problems. The computational costs incurred are quite low by comparison with previous efforts on solving these problems.

Sb7Te3/Ge multilayer films for low power and high speed phase-change memory

NASA Astrophysics Data System (ADS)

Chen, Shiyu; Wu, Weihua; Zhai, Jiwei; Song, Sannian; Song, Zhitang

2017-06-01

Phase-change memory has attracted enormous attention for its excellent properties as compared to flash memories due to their high speed, high density, better date retention and low power consumption. Here we present Sb7Te3/Ge multilayer films by using a magnetron sputtering method. The 10 years’ data retention temperature is significantly increased compared with pure Sb7Te3. When the annealing temperature is above 250 °C, the Sb7Te3/Ge multilayer thin films have better interface properties, which renders faster crystallization speed and high thermal stability. The decrease in density of ST/Ge multilayer films is only around 5%, which is very suitable for phase change materials. Moreover, the low RESET power benefits from high resistivity and better thermal stability in the PCM cells. This work demonstrates that the multilayer configuration thin films with tailored properties are beneficial for improving the stability and speed in phase change memory applications.

Kinetic transition in the order-disorder transformation at a solid/liquid interface

NASA Astrophysics Data System (ADS)

Galenko, P. K.; Nizovtseva, I. G.; Reuther, K.; Rettenmayr, M.

2018-01-01

Phase-field analysis for the kinetic transition in an ordered crystal structure growing from an undercooled liquid is carried out. The results are interpreted on the basis of analytical and numerical solutions of equations describing the dynamics of the phase field, the long-range order parameter as well as the atomic diffusion within the crystal/liquid interface and in the bulk crystal. As an example, the growth of a binary A50B50 crystal is described, and critical undercoolings at characteristic changes of growth velocity and the long-range order parameter are defined. For rapidly growing crystals, analogies and qualitative differences are found in comparison with known non-equilibrium effects, particularly solute trapping and disorder trapping. The results and model predictions are compared qualitatively with results of the theory of kinetic phase transitions (Chernov 1968 Sov. Phys. JETP 26, 1182-1190) and with experimental data obtained for rapid dendritic solidification of congruently melting alloy with order-disorder transition (Hartmann et al. 2009 Europhys. Lett. 87, 40007 (doi:10.1209/0295-5075/87/40007)). This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

Investigations of effect of phase change mass transfer rate on cavitation process with homogeneous relaxation model

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

He, Zhixia; Zhang, Liang; Saha, Kaushik

The super high fuel injection pressure and micro size of nozzle orifice has been an important development trend for the fuel injection system. Accordingly, cavitation transient process, fuel compressibility, amount of noncondensable gas in the fuel and cavitation erosion have attracted more attention. Based on the fact of cavitation in itself is a kind of thermodynamic phase change process, this paper takes the perspective of the cavitation phase change mass transfer process to analyze above mentioned phenomenon. The two-phase cavitating turbulent flow simulations with VOF approach coupled with HRM cavitation model and U-RANS of standard k-ε turbulence model were performedmore » for investigations of cavitation phase change mass transfer process. It is concluded the mass transfer time scale coefficient in the Homogenous Relaxation Model (HRM) representing mass transfer rate should tend to be as small as possible in a condition that ensured the solver stable. At very fast mass transfer rate, the phase change occurs at very thin interface between liquid and vapor phase and condensation occurs more focused and then will contribute predictably to a more serious cavitation erosion. Both the initial non-condensable gas in fuel and the fuel compressibility can accelerate the cavitation mass transfer process.« less

Efficient collection of peripheral blood stem cells using the Fresenius AS104 in chronic myelocytic leukemia patients with very high numbers of platelets.

PubMed

Komatsu, F; Ishida, Y

1997-04-01

For chronic myelocytic leukemia patients with very high numbers of platelets, we describe an efficient method for the collection of peripheral blood stem cells (PBSC) using the Fresenius AS104 cell separator. In these patients, it is difficult to collect a sufficient number of PBSC, due to the platelet band interfering with the machine's red cell interface sensor. We, therefore, tried a manual adjustment of the device. The collection phase was set automatically. When the whole blood began to separate into the red cell layer and plasma (plus mononuclear cell) layer, the red cell interface setting of "7:1" was changed to "OFF," and the plasma pump flow rate was controlled manually in order to locate the interface position 1 cm from the outside wall of the centrifuge chamber. After the collection phase, the procedure was returned to the automatic setting. By repeating this procedure, we were able to collect large numbers of PBSC.

Visualizing monolayers with a water-soluble fluorophore to quantify adsorption, desorption, and the double layer.

PubMed

Shieh, Ian C; Zasadzinski, Joseph A

2015-02-24

Contrast in confocal microscopy of phase-separated monolayers at the air-water interface can be generated by the selective adsorption of water-soluble fluorescent dyes to disordered monolayer phases. Optical sectioning minimizes the fluorescence signal from the subphase, whereas convolution of the measured point spread function with a simple box model of the interface provides quantitative assessment of the excess dye concentration associated with the monolayer. Coexisting liquid-expanded, liquid-condensed, and gas phases could be visualized due to differential dye adsorption in the liquid-expanded and gas phases. Dye preferentially adsorbed to the liquid-disordered phase during immiscible liquid-liquid phase coexistence, and the contrast persisted through the critical point as shown by characteristic circle-to-stripe shape transitions. The measured dye concentration in the disordered phase depended on the phase composition and surface pressure, and the dye was expelled from the film at the end of coexistence. The excess concentration of a cationic dye within the double layer adjacent to an anionic phospholipid monolayer was quantified as a function of subphase ionic strength, and the changes in measured excess agreed with those predicted by the mean-field Gouy-Chapman equations. This provided a rapid and noninvasive optical method of measuring the fractional dissociation of lipid headgroups and the monolayer surface potential.

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

PubMed

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

2015-01-20

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

Optical monitor for real time thickness change measurements via lateral-translation induced phase-stepping interferometry

DOEpatents

Rushford, Michael C.

2002-01-01

An optical monitoring instrument monitors etch depth and etch rate for controlling a wet-etching process. The instrument provides means for viewing through the back side of a thick optic onto a nearly index-matched interface. Optical baffling and the application of a photoresist mask minimize spurious reflections to allow for monitoring with extremely weak signals. A Wollaston prism enables linear translation for phase stepping.

An intelligent interface for satellite operations: Your Orbit Determination Assistant (YODA)

NASA Technical Reports Server (NTRS)

Schur, Anne

1988-01-01

An intelligent interface is often characterized by the ability to adapt evaluation criteria as the environment and user goals change. Some factors that impact these adaptations are redefinition of task goals and, hence, user requirements; time criticality; and system status. To implement adaptations affected by these factors, a new set of capabilities must be incorporated into the human-computer interface design. These capabilities include: (1) dynamic update and removal of control states based on user inputs, (2) generation and removal of logical dependencies as change occurs, (3) uniform and smooth interfacing to numerous processes, databases, and expert systems, and (4) unobtrusive on-line assistance to users of concepts were applied and incorporated into a human-computer interface using artificial intelligence techniques to create a prototype expert system, Your Orbit Determination Assistant (YODA). YODA is a smart interface that supports, in real teime, orbit analysts who must determine the location of a satellite during the station acquisition phase of a mission. Also described is the integration of four knowledge sources required to support the orbit determination assistant: orbital mechanics, spacecraft specifications, characteristics of the mission support software, and orbit analyst experience. This initial effort is continuing with expansion of YODA's capabilities, including evaluation of results of the orbit determination task.

Interface wave propagation and edge conversion at a low stiffness interphase layer between two solids: A numerical study.

PubMed

Cho, Hideo; Rokhlin, Stanislav I

2015-09-01

The Rayleigh-to-interface wave conversion and the propagation of the resulting symmetric and antisymmetric modes on a bonded interface between solids is analyzed by the two dimensional finite difference time domain method. The propagated patterns were visualized to improve understanding of the phenomena. It is found that the partition of the energy of the interface waves above and below the interface changes repeatedly with propagation distance due to interference between the two modes which have slightly different phase velocities. The destructive interference of those two modes results in dips in the amplitude spectrum of the interface waves, which shift in frequency with propagation distance. The Rayleigh wave received that is created by the interface wave at the exit corner of the joint also shows interference dips in its spectrum. Those dips depend on the interface properties and can potentially be used for interface characterization. Conversion factors related to the interface wave at the upward and downward corners are determined and discussed. As a result, the total transition factor through the upward and downward corners for the interface wave was estimated as 0.37 and would be sufficiently large to probe the interface by coupling from the Rayleigh to the interface wave. Copyright © 2015 Elsevier B.V. All rights reserved.

Structural rearrangement of β-lactoglobulin at different oil-water interfaces and its effect on emulsion stability.

PubMed

Zhai, Jiali; Wooster, Tim J; Hoffmann, Søren V; Lee, Tzong-Hsien; Augustin, Mary Ann; Aguilar, Marie-Isabel

2011-08-02

Understanding the factors that control protein structure and stability at the oil-water interface continues to be a major focus to optimize the formulation of protein-stabilized emulsions. In this study, a combination of synchrotron radiation circular dichroism spectroscopy, front-face fluorescence spectroscopy, and dual polarization interferometry (DPI) was used to characterize the conformation and geometric structure of β-lactoglobulin (β-Lg) upon adsorption to two oil-water interfaces: a hexadecane-water interface and a tricaprylin-water interface. The results show that, upon adsorption to both oil-water interfaces, β-Lg went through a β-sheet to α-helix transition with a corresponding loss of its globular tertiary structure. The degree of conformational change was also a function of the oil phase polarity. The hexadecane oil induced a much higher degree of non-native α-helix compared to the tricaprylin oil. In contrast to the β-Lg conformation in solution, the non-native α-helical-rich conformation of β-Lg at the interface was resistant to further conformational change upon heating. DPI measurements suggest that β-Lg formed a thin dense layer at emulsion droplet surfaces. The effects of high temperature and the presence of salt on these β-Lg emulsions were then investigated by monitoring changes in the ζ-potential and particle size. In the absence of salt, high electrostatic repulsion meant β-Lg-stabilized emulsions were resistant to heating to 90 °C. Adding salt (120 mM NaCl) before or after heating led to emulsion flocculation due to the screening of the electrostatic repulsion between colloidal particles. This study has provided insight into the structural properties of proteins adsorbed at the oil-water interface and has implications in the formulation and production of emulsions stabilized by globular proteins.

AFM study of the plastic deformation behavior of poly-synthetically-twinned (PST) titanium aluminide crystals

NASA Astrophysics Data System (ADS)

Chen, Yali

The plastic deformation behavior of PST TiAl crystals was investigated using AFM techniques to reveal the effects of lamellar structure on the deform mechanisms of two-phase TiAl materials. PST crystals with a nominal composition of Ti52Al48 (atomic percent) were grown by the floating zone method and at various orientations deformed in compression at room temperature. Atomic Force Microscopy (AFM) was employed to investigate the deformation structure on the free surfaces. The deformation of the PST crystals is highly anisotropic and the deformation mechanism changes dramatically with sample orientation. When the angle between the loading axis and the lamellar interfaces is below 20°, the gamma lamellae deform by dislocation slip and twinning on planes oblique to the lamellar interfaces, but the Burgers vectors or the resultant shear vectors are parallel to the lamellar interfaces inside each lamella. When the angle is between 20° and 80° the gamma phase deforms by shear on planes parallel to the lamellar interfaces. Some domains deform by a combination of ordinary dislocation slip and twinning. In the domains where twinning cannot be activated, slip occurs by ordinary dislocations or superdislocations. When the loading axis is nearly perpendicular to the lamellar interfaces ordinary dislocation slip and twinning on slip planes inclined with the lamellar interfaces are dominant and the shear is trans-lamellar. The three deformation modes are termed as A, B and N type deformation modes respectively. In the A type mode the alpha2 lamellae concomitantly deform by prismatic slip. In the other two modes, the alpha2 phase does not deform and acts as strong obstacles to the transfer of deformation. Abundant misfit dislocations are emitted from the lamellar interfaces which is beneficial for the plastic deformation. On the other hand, the lamellar interfaces strongly impede trans-lamellar deformation and channel the deformation inside each lamella. The inhomogeneous coherency stresses at the lamellar interfaces also lead to heterogeneous deformation of PST crystals. The deformation behavior of the lamellar grains produces remarkable strain incompatibility in lamellar polycrystals and deteriorates the deformability.

Creation and Ordering of Oxygen Vacancies at WO 3-δ and Perovskite Interfaces

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

Zhang, Kelvin H. L.; Li, Guoqiang; Spurgeon, Steven R.

Changes in structure and composition resulting from oxygen deficiency can strongly impact the physical and chemical properties of transition metal oxides, which may lead to new functionalities for novel electronic devices. Oxygen vacancies (V o) can be readily formed to accomodate the lattice mismatch during epitixial thin film growth. In this paper, the effects of substrate strain and oxidizing power on the creation and distribution of V o in WO 3-δ thin films are investigated in detail. An 18O 2 isotope labeled time-of-flight secondary ion mass spectrometry study reveals that WO 3-δ films grown on SrTiO 3 substrates display amore » significantly larger oxygen vacancy gradient along the growth direction compared to those grown on LaAlO 3 substrates. This result is corroborated by scanning transmission electron microscopy imaging which reveals a large number of defects close to the interface to accommodate interfacial tensile strain, leading to the ordering of V o and the formation of semi-aligned Magnéli phases. The strain is gradually released and tetragonal phase with much better crystallinity is observed at the film/vacuum interface. The changes in structure resulting from oxygen defect creation are shown to have a direct impact on the electronic and optical properties of the films.« less

Displacive Transformation in Ceramics

DTIC Science & Technology

1994-02-28

product However, the evidence here is thin because no other interface which, during transformation movement, pro - crystallographic data were used other... con - and the parent phase. stants c and a change abruptly and the structure becomles The phenomenological crystallographic theory of cubic. Since the...detectable negative volume change near T,, PbTiO3 Pro * vides a more sensitve indication of the role of lattice vari- Department of Matcrials Science

Experimental investigation and numerical simulation of a copper micro-channel heat exchanger with HFE-7200 working fluid

NASA Astrophysics Data System (ADS)

Borquist, Eric

Ever increasing cost and consumption of global energy resources has inspired the development of energy harvesting techniques which increase system efficiency, sustainability, and environmental impact by using waste energy otherwise lost to the surroundings. As part of a larger effort to produce a multi-energy source prototype, this study focused on the fabrication and testing of a waste heat recovery micro-channel heat exchanger. Reducing cost and facility requirements were a priority for potential industry and commercial adoption of such energy harvesting devices. During development of the micro-channel heat exchanger, a new fabrication process using mature technologies was created that reduced cost, time, and required equipment. Testing involved filling the micro-channel heat exchanger with 3MTM NovecTM HFE-7200 working fluid. The working fluid was chosen for appropriate physical and environmental properties for the prototypes intended application. Using a dry heat exchanger as the baseline, the addition of the working fluid proved advantageous by increasing energy output by 8% while decreasing overall device temperatures. Upon successful experimental testing of the physical device, internal operation was determined based on implementation of the lattice Boltzmann method, a physics-based statistical method that actively tracked the phase change occurring in a simulated micro-channel. The simulation demonstrated three primary areas of phase change occurring, surfaces adjacent to where the heat source and heat sink were located and the bulk vapor-liquid interface, which agreed with initial device design intentions. Condensation film thickness grew to 5microm over the time interval, while the bulk interface tracked from initial 12microm from the lid to 20microm from the lid. Surface tension effects dominating vapor pressure kept the liquid near the heat source; however, the temperature and pressure VLE data suggested vapor interface growth from the heated surface to 5microm above the heated copper plate. Reinforcing the simulation results, including location and movement of phase interfaces, was accomplished through a thorough ten dimensionless number analyses. These specialized ratios indicated dominant fluid and heat transfer behavior including phase change conditions. Thus, fabrication and empirical results for the heat energy harvesting prototype were successful and computational modeling provided understanding of applicable internal system behavior.

Numerical modeling of an alloy droplet deposition with non-equilibrium solidification

NASA Astrophysics Data System (ADS)

Ramanuj, Vimal

Droplet deposition is a process of extensive relevance to the microfabrication industry. Various bonding and film deposition methods utilize single or multiple droplet impingements on a substrate with subsequent splat formation through simultaneous spreading and solidification. Splat morphology and solidification characteristics play vital roles in determining the final outcome. Experimental methods have limited reach in studying such phenomena owing to the extremely small time and length scales involved. Fundamental understanding of the governing principles of fluid flow, heat transfer and phase change provide effective means of studying such processes through computational techniques. The present study aims at numerically modeling and analyzing the phenomenon of splat formation and phase change in an alloy droplet deposition process. Phase change in alloys occurs non-isothermally and its formulation poses mathematical challenges. A highly non-linear flow field in conjunction with multiple interfaces and convection-diffusion governed phase transition are some of the highlighting features involved in the numerical formulation. Moreover, the non-equilibrium solidification behavior in eutectic systems is of prime concern. The peculiar phenomenon requires special treatments in terms of modeling solid phase species diffusion, liquid phase enrichment during solute partitioning and isothermal eutectic transformation. The flow field is solved using a two-step projection algorithm coupled with enhanced interface modeling schemes. The free surface tracking and reconstruction is achieved through two approaches: VOF-PLIC and CLSVOF to achieve optimum interface accuracy with minimal computational resources. The energy equation is written in terms of enthalpy with an additional source term to account for the phase change. The solidification phenomenon is modeled using a coupled temperature-solute scheme that reflects the microscopic effects arising due to dendritic growth taking place in rapidly solidifying domains. Solid phase diffusion theories proposed in the literature are incorporated in the solute conservation equation through a back diffusion parameter till the eutectic composition; beyond which a special treatment is proposed. A simplified homogeneous mushy region model has also been outline. Both models are employed to reproduce analytical results under limiting conditions and also experimentally verified. The primary objective of the present work is to examine the splat morphology, solidification behavior and microstructural characteristics under varying operational parameters. A simplified homogeneous mushy region model is first applied to study the role of convection in an SS304 droplet deposition with substrate remelting. The results are compared with experimental findings reported in the literature and a good agreement is observed. Furthermore, a hypoeutectic Sn-Pb alloy droplet deposition is studied using a comprehensive coupled temperature solute model that accounts for the non-equilibrium solidification occurring in eutectic type of alloys. Particular focus is laid on the limitations of a homogeneous mushy region assumption, role of species composition in governing solidification, estimation of the microstructural properties and eutectic formation.

Effect of boundary heat flux on columnar formation in binary alloys: A phase-field study

NASA Astrophysics Data System (ADS)

Du, Lifei; Zhang, Peng; Yang, Shaomei; Chen, Jie; Du, Huiling

2018-02-01

A non-isothermal phase-field model was employed to simulate the columnar formation during rapid solidification in binary Ni-Cu alloy. Heat flux at different boundaries was applied to investigate the temperature gradient effect on the morphology, concentration and temperature distributions during directional solidifications. With the heat flux input/extraction from boundaries, coupling with latent heat release and initial temperature gradient, temperature distributions are significantly changed, leading to solute diffusion changes during the phase-transition. Thus, irregular columnar structures are formed during the directional solidification, and the concentration distribution in solid columnar arms could also be changed due to the different growing speeds and temperature distributions at the solid-liquid interfaces. Therefore, applying specific heat conditions at the solidifying boundaries could be an efficient way to control the microstructure during solidifications.

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

NASA Astrophysics Data System (ADS)

Tafen, De Nyago; Gao, Michael

2011-03-01

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

Dramatically different kinetics and mechanism at solid/liquid and solid/gas interfaces for catalytic isopropanol oxidation over size-controlled platinum nanoparticles.

PubMed

Wang, Hailiang; Sapi, Andras; Thompson, Christopher M; Liu, Fudong; Zherebetskyy, Danylo; Krier, James M; Carl, Lindsay M; Cai, Xiaojun; Wang, Lin-Wang; Somorjai, Gabor A

2014-07-23

We synthesize platinum nanoparticles with controlled average sizes of 2, 4, 6, and 8 nm and use them as model catalysts to study isopropanol oxidation to acetone in both the liquid and gas phases at 60 °C. The reaction at the solid/liquid interface is 2 orders of magnitude slower than that at the solid/gas interface, while catalytic activity increases with the size of platinum nanoparticles for both the liquid-phase and gas-phase reactions. The activation energy of the gas-phase reaction decreases with the platinum nanoparticle size and is in general much higher than that of the liquid-phase reaction which is largely insensitive to the size of catalyst nanoparticles. Water substantially promotes isopropanol oxidation in the liquid phase. However, it inhibits the reaction in the gas phase. The kinetic results suggest different mechanisms between the liquid-phase and gas-phase reactions, correlating well with different orientations of IPA species at the solid/liquid interface vs the solid/gas interface as probed by sum frequency generation vibrational spectroscopy under reaction conditions and simulated by computational calculations.

Extrinsic fiber optic displacement sensors and displacement sensing systems

DOEpatents

Murphy, K.A.; Gunther, M.F.; Vengsarkar, A.M.; Claus, R.O.

1994-04-05

An extrinsic Fizeau fiber optic sensor comprises a single-mode fiber, used as an input/output fiber, and a multimode fiber, used purely as a reflector, to form an air gap within a silica tube that acts as a Fizeau cavity. The Fresnel reflection from the glass/air interface at the front of the air gap (reference reflection) and the reflection from the air/glass interface at the far end of the air gap (sensing reflection) interfere in the input/output fiber. The two fibers are allowed to move in the silica tube, and changes in the air gap length cause changes in the phase difference between the reference reflection and the sensing reflection. This phase difference is observed as changes in intensity of the light monitored at the output arm of a fused biconical tapered coupler. The extrinsic Fizeau fiber optic sensor behaves identically whether it is surface mounted or embedded, which is unique to the extrinsic sensor in contrast to intrinsic Fabry-Perot sensors. The sensor may be modified to provide a quadrature phase shift extrinsic Fizeau fiber optic sensor for the detection of both the amplitude and the relative polarity of dynamically varying strain. The quadrature light signals may be generated by either mechanical or optical means. A plurality of the extrinsic sensors may connected in cascade and multiplexed to allow monitoring by a single analyzer. 14 figures.

Extrinsic fiber optic displacement sensors and displacement sensing systems

DOEpatents

Murphy, Kent A.; Gunther, Michael F.; Vengsarkar, Ashish M.; Claus, Richard O.

1994-01-01

An extrinsic Fizeau fiber optic sensor comprises a single-mode fiber, used as an input/output fiber, and a multimode fiber, used purely as a reflector, to form an air gap within a silica tube that acts as a Fizeau cavity. The Fresnel reflection from the glass/air interface at the front of the air gap (reference reflection) and the reflection from the air/glass interface at the far end of the air gap (sensing reflection) interfere in the input/output fiber. The two fibers are allowed to move in the silica tube, and changes in the air gap length cause changes in the phase difference between the reference reflection and the sensing reflection. This phase difference is observed as changes in intensity of the light monitored at the output arm of a fused biconical tapered coupler. The extrinsic Fizeau fiber optic sensor behaves identically whether it is surface mounted or embedded, which is unique to the extrinsic sensor in contrast to intrinsic Fabry-Perot sensors. The sensor may be modified to provide a quadrature phase shift extrinsic Fizeau fiber optic sensor for the detection of both the amplitude and the relative polarity of dynamically varying strain. The quadrature light signals may be generated by either mechanical or optical means. A plurality of the extrinsic sensors may connected in cascade and multiplexed to allow monitoring by a single analyzer.

Parametric study of the effect of phase anisotropy on the micromechanical behaviour of dentin–adhesive interfaces

PubMed Central

Misra, Anil; Spencer, Paulette; Marangos, Orestes; Wang, Yong; Katz, J. Lawrence

2005-01-01

A finite element (FE) model has been developed based upon the recently measured micro-scale morphological, chemical and mechanical properties of dentin–adhesive (d–a) interfaces using confocal Raman microspectroscopy and scanning acoustic microscopy (SAM). The results computed from this FE model indicated that the stress distributions and concentrations are affected by the micro-scale elastic properties of various phases composing the d–a interface. However, these computations were performed assuming isotropic material properties for the d–a interface. The d–a interface components, such as the peritubular and intertubular dentin, the partially demineralized dentin and the so-called ‘hybrid layer’ adhesive-collagen composite, are probably anisotropic. In this paper, the FE model is extended to account for the probable anisotropic properties of these d–a interface phases. A parametric study is performed to study the effect of anisotropy on the micromechanical stress distributions in the hybrid layer and the peritubular dentin phases of the d–a interface. It is found that the anisotropy of the phases affects the region and extent of stress concentration as well as the location of the maximum stress concentrations. Thus, the anisotropy of the phases could effect the probable location of failure initiation, whether in the peritubular region or in the hybrid layer. PMID:16849175

Ordered polymer nanofibers enhance output brightness in bilayer light-emitting field-effect transistors.

PubMed

Hsu, Ben B Y; Seifter, Jason; Takacs, Christopher J; Zhong, Chengmei; Tseng, Hsin-Rong; Samuel, Ifor D W; Namdas, Ebinazar B; Bazan, Guillermo C; Huang, Fei; Cao, Yong; Heeger, Alan J

2013-03-26

Polymer light emitting field effect transistors are a class of light emitting devices that reveal interesting device physics. Device performance can be directly correlated to the most fundamental polymer science. Control over surface properties of the transistor dielectric can dramatically change the polymer morphology, introducing ordered phase. Electronic properties such as carrier mobility and injection efficiency on the interface can be promoted by ordered nanofibers in the polymer. Moreover, by controlling space charge in the polymer interface, the recombination zone can be spatially extended and thereby enhance the optical output.

Use of XPS to clarify the Hall coefficient sign variation in thin niobium layers buried in silicon

NASA Astrophysics Data System (ADS)

Demchenko, Iraida N.; Lisowski, Wojciech; Syryanyy, Yevgen; Melikhov, Yevgen; Zaytseva, Iryna; Konstantynov, Pavlo; Chernyshova, Maryna; Cieplak, Marta Z.

2017-03-01

Si/Nb/Si trilayers formed with 9.5 and 1.3 nm thick niobium layer buried in amorphous silicon were prepared by magnetron sputtering and studied using XPS depth-profile techniques in order to investigate the change of Hall coefficient sign with thickness. The analysis of high-resolution (HR) XPS spectra revealed that the thicker layer sample has sharp top interface and metallic phase of niobium, thus holes dominate the transport. In contrast, the analysis indicates that the thinner layer sample has a Nb-rich mixed alloy formation at the top interface. The authors suggest that the main effect leading to a change of sign of the Hall coefficient for the thinner layer sample (which is negative contrary to the positive sign for the thicker layer sample) may be related to strong boundary scattering enhanced by the presence of silicon ions in the layer close to the interface/s. The depth-profile reconstruction was performed by SESSA software tool confirming that it can be reliably used for quantitative analysis/interpretation of experimental XPS data.

Structural and magnetic depth profiles of magneto-ionic heterostructures beyond the interface limit

DOE PAGES

Gilbert, Dustin A.; Grutter, Alexander J.; Arenholz, Elke; ...

2016-07-22

Electric field control of magnetism provides a promising route towards ultralow power information storage and sensor technologies. The effects of magneto-ionic motion have been prominently featured in the modification of interface characteristics. Here, we demonstrate magnetoelectric coupling moderated by voltage-driven oxygen migration beyond the interface in relatively thick AlO x/GdO x/Co(15 nm) films. Oxygen migration and Co magnetization are quantitatively mapped with polarized neutron reflectometry under electro-thermal conditioning. The depth-resolved profiles uniquely identify interfacial and bulk behaviours and a semi-reversible control of the magnetization. Magnetometry measurements suggest changes in the microstructure which disrupt long-range ferromagnetic ordering, resulting in an additionalmore » magnetically soft phase. X-ray spectroscopy confirms changes in the Co oxidation state, but not in the Gd, suggesting that the GdO x transmits oxygen but does not source or sink it. These results together provide crucial insight into controlling magnetism via magneto-ionic motion, both at interfaces and throughout the bulk of the films.« less

Integrated vehicle-based safety systems (IVBSS) : human factors and driver-vehicle interface (DVI) summary report

DOT National Transportation Integrated Search

2008-02-01

The IVBSS program is a four-year, two-phase project to design and evaluate an integrated crash warning system for forward collision, lateral drift, lane-change merge, and curve speed warnings for both light vehicles and heavy trucks. This report, cov...

Computer-Based Tools for Evaluating Graphical User Interfaces

NASA Technical Reports Server (NTRS)

Moore, Loretta A.

1997-01-01

The user interface is the component of a software system that connects two very complex system: humans and computers. Each of these two systems impose certain requirements on the final product. The user is the judge of the usability and utility of the system; the computer software and hardware are the tools with which the interface is constructed. Mistakes are sometimes made in designing and developing user interfaces because the designers and developers have limited knowledge about human performance (e.g., problem solving, decision making, planning, and reasoning). Even those trained in user interface design make mistakes because they are unable to address all of the known requirements and constraints on design. Evaluation of the user inter-face is therefore a critical phase of the user interface development process. Evaluation should not be considered the final phase of design; but it should be part of an iterative design cycle with the output of evaluation being feed back into design. The goal of this research was to develop a set of computer-based tools for objectively evaluating graphical user interfaces. The research was organized into three phases. The first phase resulted in the development of an embedded evaluation tool which evaluates the usability of a graphical user interface based on a user's performance. An expert system to assist in the design and evaluation of user interfaces based upon rules and guidelines was developed during the second phase. During the final phase of the research an automatic layout tool to be used in the initial design of graphical inter- faces was developed. The research was coordinated with NASA Marshall Space Flight Center's Mission Operations Laboratory's efforts in developing onboard payload display specifications for the Space Station.

Scenarios of stable Vapor→Liquid Droplet→Solid Nanowire growth

NASA Astrophysics Data System (ADS)

Nebol`sin, Valery A.; Dunaev, Alexander I.; Tatarenkov, Alexander F.; Shmakova, Svetlana S.

2016-09-01

In the process of Nanowire (NW) growth under the Vapor→Liquid Droplet→Solid (VLS) scheme, the stages that reach the boundary of the crystallization front (the triple phase line (TPL)) under the droplet of the catalyst are either absorbed by the TPL, or accumulate ahead of it. It has been shown that, in the first case, TPL can release stages, which leads to a decrease in supersaturation necessary for NW growth. An equation has been derived, which defines the change in free surface energy of the three-phase system in the absorption (release) of a stage, being a function of the contact angle of the droplet, and the ratio between the phase conjugation angles interface at equilibrium shift in the boundary line. A thermodynamic model has been developed and three possible scenarios for sustainable NW growth: Non-Wetting, Wetting and Fully Wetting have been considered in accordance with the processes occurring at the interface of three phases. The results obtained for each scenario were used to analyze the polytypism of GaAs and InAs NW, the radial periodic instability of Si NW and the formation of "negative" NW.

Overview of the Tusas Code for Simulation of Dendritic Solidification

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

Trainer, Amelia J.; Newman, Christopher Kyle; Francois, Marianne M.

2016-01-07

The aim of this project is to conduct a parametric investigation into the modeling of two dimensional dendrite solidification, using the phase field model. Specifically, we use the Tusas code, which is for coupled heat and phase-field simulation of dendritic solidification. Dendritic solidification, which may occur in the presence of an unstable solidification interface, results in treelike microstructures that often grow perpendicular to the rest of the growth front. The interface may become unstable if the enthalpy of the solid material is less than that of the liquid material, or if the solute is less soluble in solid than itmore » is in liquid, potentially causing a partition [1]. A key motivation behind this research is that a broadened understanding of phase-field formulation and microstructural developments can be utilized for macroscopic simulations of phase change. This may be directly implemented as a part of the Telluride project at Los Alamos National Laboratory (LANL), through which a computational additive manufacturing simulation tool is being developed, ultimately to become part of the Advanced Simulation and Computing Program within the U.S. Department of Energy [2].« less

Small strain multiphase-field model accounting for configurational forces and mechanical jump conditions

NASA Astrophysics Data System (ADS)

Schneider, Daniel; Schoof, Ephraim; Tschukin, Oleg; Reiter, Andreas; Herrmann, Christoph; Schwab, Felix; Selzer, Michael; Nestler, Britta

2018-03-01

Computational models based on the phase-field method have become an essential tool in material science and physics in order to investigate materials with complex microstructures. The models typically operate on a mesoscopic length scale resolving structural changes of the material and provide valuable information about the evolution of microstructures and mechanical property relations. For many interesting and important phenomena, such as martensitic phase transformation, mechanical driving forces play an important role in the evolution of microstructures. In order to investigate such physical processes, an accurate calculation of the stresses and the strain energy in the transition region is indispensable. We recall a multiphase-field elasticity model based on the force balance and the Hadamard jump condition at the interface. We show the quantitative characteristics of the model by comparing the stresses, strains and configurational forces with theoretical predictions in two-phase cases and with results from sharp interface calculations in a multiphase case. As an application, we choose the martensitic phase transformation process in multigrain systems and demonstrate the influence of the local homogenization scheme within the transition regions on the resulting microstructures.

Driving force behind adsorption-induced protein unfolding: a time-resolved X-ray reflectivity study on lysozyme adsorbed at an air/water interface.

PubMed

Yano, Yohko F; Uruga, Tomoya; Tanida, Hajime; Toyokawa, Hidenori; Terada, Yasuko; Takagaki, Masafumi; Yamada, Hironari

2009-01-06

Time-resolved X-ray reflectivity measurements for lysozyme (LSZ) adsorbed at an air/water interface were performed to study the mechanism of adsorption-induced protein unfolding. The time dependence of the density profile at the air/water interface revealed that the molecular conformation changed significantly during adsorption. Taking into account previous work using Fourier transform infrared (FTIR) spectroscopy, we propose that the LSZ molecules initially adsorbed on the air/water interface have a flat unfolded structure, forming antiparallel beta-sheets as a result of hydrophobic interactions with the gas phase. In contrast, as adsorption continues, a second layer forms in which the molecules have a very loose structure having random coils as a result of hydrophilic interactions with the hydrophilic groups that protrude from the first layer.

Diffuse-interface approach to rotating Hele-Shaw flows.

PubMed

Chen, Ching-Yao; Huang, Yu-Sheng; Miranda, José A

2011-10-01

When two fluids of different densities move in a rotating Hele-Shaw cell, the interface between them becomes centrifugally unstable and deforms. Depending on the viscosity contrast of the system, distinct types of complex patterns arise at the fluid-fluid boundary. Deformations can also induce the emergence of interfacial singularities and topological changes such as droplet pinch-off and self-intersection. We present numerical simulations based on a diffuse-interface model for this particular two-phase displacement that capture a variety of pattern-forming behaviors. This is implemented by employing a Boussinesq Hele-Shaw-Cahn-Hilliard approach, considering the whole range of possible values for the viscosity contrast, and by including inertial effects due to the Coriolis force. The role played by these two physical contributions on the development of interface singularities is illustrated and discussed.

Intermetallic Compound Growth and Stress Development in Al-Cu Diffusion Couple

NASA Astrophysics Data System (ADS)

Mishler, M.; Ouvarov-Bancalero, V.; Chae, Seung H.; Nguyen, Luu; Kim, Choong-Un

2018-01-01

This paper reports experimental observations evidencing that the intermetallic compound phase interfaced with Cu in the Al-Cu diffusion couple is most likely α2-Cu3Al phase, not γ-Cu9Al4 phase as previously assumed, and that its growth to a critical thickness may result in interface failure by stress-driven fracture. These conclusions are made based on an interdiffusion study of a diffusion couple made of a thick Cu plate coated with ˜ 2- μm-thick Al thin film. The interface microstructure and lattice parameter were characterized using scanning electron microscopy and x-ray diffraction analysis. Specimens aged at temperature between 623 K (350°C) and 723 K (450°C) for various hours produced consistent results supporting the main conclusions. It is found that disordered α2-Cu3Al phase grows in a similar manner to solid-state epitaxy, probably owing to its structural similarity to the Cu lattice. The increase in the interface strain that accompanies the α2-Cu3Al phase growth ultimately leads to interface fracture proceeding from crack initiation and growth along the interface. This mechanism provides the most consistent explanation for interface failures observed in other studies.

CO2 convective dissolution controlled by temporal changes in free-phase CO2 properties

NASA Astrophysics Data System (ADS)

Jafari Raad, S. M.; Emami-Meybodi, H.; Hassanzadeh, H.

2017-12-01

Understanding the factors that control CO2 convective dissolution, which is one of the permanent trapping mechanisms, in the deep saline aquifer is crucial in the long-term fate of the injected CO2. The present study investigates the effects of temporal changes in the solubility of CO2 at the free-phase CO2/brine interface on the onset of natural convection and the subsequent convective mixing by conducting linear stability analyses (LSA) and direct numerical simulations (DNS). A time-dependent concentration boundary is considered for the free-phase CO2/brine interface where the CO2 concentration first decreases with the time and then remains constant. The LSA results show that the temporal variation in the concentration increases the onset of natural convection up to two orders of magnitude. In addition, the critical Rayleigh number significantly increases as CO2 concentration decreases. In other words, size and pressure of the injected CO2 affect the commencement of convective mixing. Based on LSA results, several scaling relations are proposed to correlate critical Rayleigh number, critical time, and its corresponding wavenumbers with time-dependent boundary's parameters, such as concentration decline rate and equilibrium concentration ratio. The DNS results reveal that the convective fingering patterns are significantly influenced by the variation of CO2 concentration at the interface. These findings improve our understanding of CO2 solubility trapping and are particularly important in estimation of potential storage capacity, risk assessment, and storage sites characterization and screening. Keywords: CO2 sequestration; natural convection; solubility trapping; time-dependent boundary condition; numerical simulation; stability analysis

Phase-field-crystal investigation of the morphology of a steady-state dendrite tip on the atomic scale

NASA Astrophysics Data System (ADS)

Tang, Sai; Wang, Jincheng; Li, Junjie; Wang, Zhijun; Guo, Yaolin; Guo, Can; Zhou, Yaohe

2017-06-01

Through phase-field-crystal (PFC) simulations, we investigated, on the atomic scale, the crucial role played by interface energy anisotropy and growth driving force during the morphological evolution of a dendrite tip at low growth driving force. In the layer-by-layer growth manner, the interface energy anisotropy drives the forefront of the dendrite tip to evolve to be highly similar to the corner of the corresponding equilibrium crystal from the aspects of atom configuration and morphology, and thus affects greatly the formation and growth of a steady-state dendrite tip. Meanwhile, the driving force substantially influences the part behind the forefront of the dendrite tip, rather than the forefront itself. However, as the driving force increases enough to change the layer-by-layer growth to the multilayer growth, the morphology of the dendrite tip's forefront is completely altered. Parabolic fitting of the dendrite tip reveals that an increase in the influence of interface energy anisotropy makes dendrite tips deviate increasingly from a parabolic shape. By quantifying the deviations under various interface energy anisotropies and growth driving forces, it is suggested that a perfect parabola is an asymptotic limit for the shape of the dendrite tips. Furthermore, the atomic scale description of the dendrite tip obtained in the PFC simulation is compatible with the mesoscopic results obtained in the phase-field simulation in terms of the dendrite tip's morphology and the stability criterion constant.

Subsonic leaky Rayleigh waves at liquid-solid interfaces.

PubMed

Mozhaev, V G; Weihnacht, M

2002-05-01

The paper is devoted to the study of leaky Rayleigh waves at liquid-solid interfaces close to the border of the existence domain of these modes. The real and complex roots of the secular equation are computed for interface waves at the boundary between water and a binary isotropic alloy of gold and silver with continuously variable composition. The change of composition of the alloy allows one to cross a critical velocity for the existence of leaky waves. It is shown that, contrary to popular opinion, the critical velocity does not coincide with the phase velocity of bulk waves in liquid. The true threshold velocity is found to be smaller, the correction being of about 1.45%. Attention is also drawn to the fact that using the real part of the complex phase velocity as a velocity of leaky waves gives only approximate value. The most interesting feature of the waves under consideration is the presence of energy leakage in the subsonic range of the phase velocities where, at first glance, any radiation by harmonic waves is not permitted. A simple physical explanation of this radiation with due regard for inhomogeneity of radiated and radiating waves is given. The controversial question of the existence of leaky Rayleigh waves at a water/ice interface is reexamined. It is shown that the solution considered previously as a leaky wave is in fact the solution of the bulk-wave-reflection problem for inhomogeneous waves.

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.

Methods for compressible multiphase flows and their applications

NASA Astrophysics Data System (ADS)

Kim, H.; Choe, Y.; Kim, H.; Min, D.; Kim, C.

2018-06-01

This paper presents an efficient and robust numerical framework to deal with multiphase real-fluid flows and their broad spectrum of engineering applications. A homogeneous mixture model incorporated with a real-fluid equation of state and a phase change model is considered to calculate complex multiphase problems. As robust and accurate numerical methods to handle multiphase shocks and phase interfaces over a wide range of flow speeds, the AUSMPW+_N and RoeM_N schemes with a system preconditioning method are presented. These methods are assessed by extensive validation problems with various types of equation of state and phase change models. Representative realistic multiphase phenomena, including the flow inside a thermal vapor compressor, pressurization in a cryogenic tank, and unsteady cavitating flow around a wedge, are then investigated as application problems. With appropriate physical modeling followed by robust and accurate numerical treatments, compressible multiphase flow physics such as phase changes, shock discontinuities, and their interactions are well captured, confirming the suitability of the proposed numerical framework to wide engineering applications.

Protein-lipid interactions at the air/water interface.

PubMed

Lad, Mitaben D; Birembaut, Fabrice; Frazier, Richard A; Green, Rebecca J

2005-10-07

Surface pressure measurements and external reflection FTIR spectroscopy have been used to probe protein-lipid interactions at the air/water interface. Spread monomolecular layers of stearic acid and phosphocholine were prepared and held at different compressed phase states prior to the introduction of protein to the buffered subphase. Contrasting interfacial behaviour of the proteins, albumin and lysozyme, was observed and revealed the role of both electrostatic and hydrophobic interactions in protein adsorption. The rate of adsorption of lysozyme to the air/water interface increased dramatically in the presence of stearic acid, due to strong electrostatic interactions between the negatively charged stearic acid head group and lysozyme, whose net charge at pH 7 is positive. Introduction of albumin to the subphase resulted in solubilisation of the stearic acid via the formation of an albumin-stearic acid complex and subsequent adsorption of albumin. This observation held for both human and bovine serum albumin. Protein adsorption to a PC layer held at low surface pressure revealed adsorption rates similar to adsorption to the bare air/water interface and suggested very little interaction between the protein and the lipid. For PC layers in their compressed phase state some adsorption of protein occurred after long adsorption times. Structural changes of both lysozyme and albumin were observed during adsorption, but these were dramatically reduced in the presence of a lipid layer compared to that of adsorption to the pure air/water interface.

A Phase Field Study of the Effect of Microstructure Grain Size Heterogeneity on Grain Growth

NASA Astrophysics Data System (ADS)

Crist, David J. D.

Recent studies conducted with sharp-interface models suggest a link between the spatial distribution of grain size variance and average grain growth rate. This relationship and its effect on grain growth rate was examined using the diffuse-interface Phase Field Method on a series of microstructures with different degrees of grain size gradation. Results from this work indicate that the average grain growth rate has a positive correlation with the average grain size dispersion for phase field simulations, confirming previous observations. It is also shown that the grain growth rate in microstructures with skewed grain size distributions is better measured through the change in the volume-weighted average grain size than statistical mean grain size. This material is based upon work supported by the National Science Foundation under Grant No. 1334283. The NSF project title is "DMREF: Real Time Control of Grain Growth in Metals" and was awarded by the Civil, Mechanical and Manufacturing Innovation division under the Designing Materials to Revolutionize and Engineer our Future (DMREF) program.

Surface structure in simple liquid metals: An orbital-free first-principles study

NASA Astrophysics Data System (ADS)

González, D. J.; González, L. E.; Stott, M. J.

2006-07-01

Molecular dynamics simulations of the liquid-vapor interfaces in simple sp-bonded liquid metals have been performed using first-principles methods. Results are presented for liquid Li, Na, K, Rb, Cs, Mg, Ba, Al, Tl, and Si at thermodynamic conditions near their respective triple points, for samples of 2000 particles in a slab geometry. The longitudinal ionic density profiles exhibit a pronounced stratification extending several atomic diameters into the bulk, which is a feature already experimentally observed in liquid K, Ga, In, Sn, and Hg. The wavelength of the ionic oscillations shows a good scaling with the radii of the associated Wigner-Seitz spheres. The structural rearrangements at the interface are analyzed in terms of the transverse pair correlation function, the coordination number, and the bond-angle distribution between nearest neighbors. The valence electronic density profile also shows (weaker) oscillations whose phase, with respect to those of the ionic profile, changes from opposite phase in the alkalis to almost in-phase for Si.

Near-field thermal rectification devices using phase change periodic nanostructure.

PubMed

Ghanekar, Alok; Tian, Yanpei; Ricci, Matthew; Zhang, Sinong; Gregory, Otto; Zheng, Yi

2018-01-22

We theoretically analyze two near-field thermal rectification devices: a radiative thermal diode and a thermal transistor that utilize a phase change material to achieve dynamic control over heat flow by exploiting metal-insulator transition of VO 2 near 341 K. The thermal analogue of electronic diode allows high heat flow in one direction while it restricts the heat flow when the polarity of temperature gradient is reversed. We show that with the introduction of 1-D rectangular grating, thermal rectification is dramatically enhanced in the near-field due to reduced tunneling of surface waves across the interfaces for negative polarity. The radiative thermal transistor also works around phase transition temperature of VO 2 and controls heat flow. We demonstrate a transistor-like behavior wherein heat flow across the source and the drain can be greatly varied by making a small change in gate temperature.

Electrically controlled microvalves to integrate microchip polymerase chain reaction and capillary electrophoresis.

PubMed

Kaigala, Govind V; Hoang, Viet N; Backhouse, Christopher J

2008-07-01

Microvalves are key in realizing portable miniaturized diagnostic platforms. We present a scalable microvalve that integrates well with standard lab on a chip (LOC) implementations, yet which requires essentially no external infrastructure for its operation. This electrically controlled, phase-change microvalve is used to integrate genetic amplification and analysis via capillary electrophoresis--the basis of many diagnostics. The microvalve is actuated using a polymer (polyethylene glycol, PEG) that exhibits a large volumetric change between its solid and liquid phases. Both the phase change of the PEG and the genetic amplification via polymerase chain reaction (PCR) are thermally controlled using thin film resistive elements that are patterned using standard microfabrication methods. By contrast with many other valve technologies, these microvalves and their control interface scale down in size readily. The novelty here lies in the use of fully integrated microvalves that require only electrical connections to realize a portable and inexpensive genetic analysis platform.

An English language interface for constrained domains

NASA Technical Reports Server (NTRS)

Page, Brenda J.

1989-01-01

The Multi-Satellite Operations Control Center (MSOCC) Jargon Interpreter (MJI) demonstrates an English language interface for a constrained domain. A constrained domain is defined as one with a small and well delineated set of actions and objects. The set of actions chosen for the MJI is from the domain of MSOCC Applications Executive (MAE) Systems Test and Operations Language (STOL) directives and contains directives for signing a cathode ray tube (CRT) on or off, calling up or clearing a display page, starting or stopping a procedure, and controlling history recording. The set of objects chosen consists of CRTs, display pages, STOL procedures, and history files. Translation from English sentences to STOL directives is done in two phases. In the first phase, an augmented transition net (ATN) parser and dictionary are used for determining grammatically correct parsings of input sentences. In the second phase, grammatically typed sentences are submitted to a forward-chaining rule-based system for interpretation and translation into equivalent MAE STOL directives. Tests of the MJI show that it is able to translate individual clearly stated sentences into the subset of directives selected for the prototype. This approach to an English language interface may be used for similarly constrained situations by modifying the MJI's dictionary and rules to reflect the change of domain.

Analytical study of the reflection and transmission coefficient of the submarine interface

NASA Astrophysics Data System (ADS)

Zhang, Guangli; Hao, Chongtao; Yao, Chen

2018-05-01

The analytical study of the reflection and transmission coefficient of the seafloor interface is essential for the characterization of the ocean bottom in marine seismic exploration. Based on the boundary conditions of the seafloor interface, the analytical expression of the reflection and transmission coefficient at the submarine interface is derived in this study by using the steady-state wave solution of the elastic wave in a homogeneous, isotropic medium. With this analytical expression, the characteristics of the reflection and transmission coefficient at the submarine interface are analysed and discussed using critical angles. The results show that the change in the reflection and transmission coefficient with the incidence angle presents a "segmented" characteristic, in which the critical angle is the dividing point. The amplitude value and phase angle of the coefficient at the submarine interface change dramatically at the critical angle, which is related to the P- and S-wave velocities in the seabed layer. Compared with the stiff seabed, the soft seabed has a larger P-wave critical angle and an absence of the converted S-wave critical angle, owing to the low P- and S-wave velocities in the solid seabed layer. By analysing and discussing the special changes that occur in the coefficient values at the critical angle, the reflection and transmission characteristics of the different incident angles are obtained. Synthetic models of both stiff and soft seafloors are provided in this study to verify the analytical results. Finally, we compared our synthetic results with real data from the Gulf of Mexico, which enabled the validation of our conclusions.

Langmuir Films of Flexible Polymers Transferred to Aqueous/Liquid Crystal Interfaces Induce Uniform Azimuthal Alignment of the Liquid Crystal

PubMed Central

Kinsinger, Michael I.; Buck, Maren E.; Meli, Maria-Victoria; Abbott, Nicholas L.; Lynn, David M.

2009-01-01

We reported recently that amphiphilic polymers can be assembled at interfaces created between aqueous phases and thermotropic liquid crystals (LCs) in ways that (i) couple the organization of the polymer to the order of the LC and (ii) respond to changes in the properties of aqueous phases that can be characterized as changes in the optical appearance of the LC. This investigation sought to characterize the behavior of aqueous-LC interfaces decorated with uniaxially compressed thin films of polymers transferred by Langmuir-Schaefer (LS) transfer. Here, we report physicochemical characterization of interfaces created between aqueous phases and the thermotropic LC 4-cyano-4’-pentylbiphenyl (5CB) decorated with Langmuir films of a novel amphiphilic polymer (polymer 1), synthesized by the addition of hydrophobic and hydrophilic side chains to poly(2-vinyl-4,4’-dimethylazlactone). Initial characterization of this system resulted in the unexpected observation of uniform azimuthal alignment of 5CB after LS transfer of the polymer films to aqueous-5CB interfaces. This paper describes characterization of Langmuir films of polymer 1 hosted at aqueous-5CB interfaces as well as the results of our investigations into the origins of the uniform ordering of the LC observed upon LS transfer. Our results, when combined, support the conclusion that uniform azimuthal alignment of 5CB is the result of long-range ordering of polymer chains in the Langmuir films (in a preferred direction orthogonal to the direction of compression) that is generated during uniaxial compression of the films prior to LS transfer. Although past studies of Langmuir films of polymers at aqueous-air interfaces have demonstrated that in-plane alignment of polymer backbones can be induced by uniaxial compression, these past reports have generally made use of polymers with rigid backbones. One important outcome of this current study is thus the observation of anisotropy and long-range order in Langmuir films of a novel flexible polymer. A second important outcome is the observation that the existence, extent, and dynamics of this order can be identified and characterized optically by transfer of the Langmuir film to a thin film of LC. Additional characterization of Langmuir films of two other flexible polymers [poly(methyl methacrylate) and poly(vinyl stearate)] using this method also resulted in uniform azimuthal alignment of 5CB, suggesting that the generation of long-range order in uniaxially compressed Langmuir films of polymers may also occur more generally over a broader range of polymers with flexible backbones. PMID:19836025

The growth mechanism of grain boundary carbide in Alloy 690

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

Li, Hui, E-mail: huili@shu.edu.cn; Institute of Materials, Shanghai University, Shanghai 200072; Xia, Shuang

2013-07-15

The growth mechanism of grain boundary M{sub 23}C{sub 6} carbides in nickel base Alloy 690 after aging at 715 °C was investigated by high resolution transmission electron microscopy. The grain boundary carbides have coherent orientation relationship with only one side of the matrix. The incoherent phase interface between M{sub 23}C{sub 6} and matrix was curved, and did not lie on any specific crystal plane. The M{sub 23}C{sub 6} carbide transforms from the matrix phase directly at the incoherent interface. The flat coherent phase interface generally lies on low index crystal planes, such as (011) and (111) planes. The M{sub 23}C{submore » 6} carbide transforms from a transition phase found at curved coherent phase interface. The transition phase has a complex hexagonal crystal structure, and has coherent orientation relationship with matrix and M{sub 23}C{sub 6}: (111){sub matrix}//(0001){sub transition}//(111){sub carbide}, <112{sup ¯}>{sub matrix}//<21{sup ¯}10>{sub transition}//<112{sup ¯}>{sub carbide}. The crystal lattice constants of transition phase are c{sub transition}=√(3)×a{sub matrix} and a{sub transition}=√(6)/2×a{sub matrix}. Based on the experimental results, the growth mechanism of M{sub 23}C{sub 6} and the formation mechanism of transition phase are discussed. - Highlights: • A transition phase was observed at the coherent interfaces of M{sub 23}C{sub 6} and matrix. • The transition phase has hexagonal structure, and is coherent with matrix and M{sub 23}C{sub 6}. • The M{sub 23}C{sub 6} transforms from the matrix directly at the incoherent phase interface.« less

First-principles study of the α-ω phase transformation in Ti and Zr coupled to slip modes

NASA Astrophysics Data System (ADS)

Kumar, Anil; Bronkhorst, Curt A.; Lookman, Turab

2018-01-01

We present first-principles density functional theory calculations to study the α-ω phase transformation in Ti and Zr and its coupling to slip modes of the two phases. We first investigate the relative energetics of all possible slip systems in the α and ω phases to predict the dominant slip system that is activated during a plastic deformation under an arbitrary load. Using this and the crystallographic orientation relationships between α and ω phases, we construct low energy α/ω interfaces and study the energetics of the slip system at the interface between α and ω to compare to the slip systems in the bulk phases. We find that for a particular crystallographic orientation relationship, where (basal) α∥(prismatic-II)ω , and [a] α∥[c] ω , the slip at the interface is preferred compared to its bulk counterparts. This implies that the plastically deformed α/ω phase with this orientation relationship prefers to retain the interface (or coexisting phases) than transforming back to the pure phase after unloading. This is consistent with the observation that the ω-phase is retained in samples loaded in flyer plate experiments or under high-pressure torsion. Furthermore, calculation of the energy barrier for α to ω phase transformation as a function of glide at the α/ω interface shows significant coupling between the α-ω phase transformation and slip modes in Ti and Zr.

Modeling particle-facilitated solute transport using the C-Ride module of HYDRUS

NASA Astrophysics Data System (ADS)

Simunek, Jiri; Bradford, Scott A.

2017-04-01

Strongly sorbing chemicals (e.g., heavy metals, radionuclides, pharmaceuticals, and/or explosives) in soils are associated predominantly with the solid phase, which is commonly assumed to be stationary. However, recent field- and laboratory-scale observations have shown that, in the presence of mobile colloidal particles (e.g., microbes, humic substances, clays and metal oxides), the colloids could act as pollutant carriers and thus provide a rapid transport pathway for strongly sorbing contaminants. Such transport can be further accelerated since these colloidal particles may travel through interconnected larger pores where the water velocity is relatively high. Additionally, colloidal particles have a considerable adsorption capacity for other species present in water because of their large specific surface areas and their high concentrations in soil-water and groundwater. As a result, the transport of contaminants can be significantly, sometimes dramatically, enhanced when they are adsorbed to mobile colloids. To address this problem, we have developed the C-Ride module for HYDRUS-1D. This one-dimensional numerical module is based on the HYDRUS-1D software package and incorporates mechanisms associated with colloid and colloid-facilitated solute transport in variably saturated porous media. This numerical model accounts for both colloid and solute movement due to convection, diffusion, and dispersion in variably-saturated soils, as well as for solute movement facilitated by colloid transport. The colloids transport module additionally considers processes of attachment/detachment to/from the solid phase, straining, and/or size exclusion. Various blocking and depth dependent functions can be used to modify the attachment and straining coefficients. The module additionally considers the effects of changes in the water content on colloid/bacteria transport and attachment/detachment to/from solid-water and air-water interfaces. For example, when the air-water interface disappears during imbibition, particles residing on this interface are released into the liquid phase. Similarly, during drainage, particles residing at the solid-water interface may be detached from this interface by capillary forces and released into the liquid phase or become attached to the air-water interface. The solute transport module uses the concept of two-site sorption to describe nonequilibrium adsorption-desorption reactions to the solid phase. The module further assumes that the contaminant can be sorbed onto surfaces of both deposited and mobile colloids, fully accounting for the dynamics of colloids movement between different phases. We will demonstrate the use of the module using selected datasets and numerical examples.

Reflection high-energy electron diffraction study of growth and interface formation of the Ga(1-x)In(x)Sb/InAs strained-layer superlattices

NASA Technical Reports Server (NTRS)

Fan, W. C.; Zborowski, J. T.; Golding, T. D.; Shih, H. D.

1992-01-01

Reflection high-energy electron diffraction (RHEED) during molecular beam epitaxy is used to study the growth and interface formation of the Ga(1-x)In(x)Sb/InAs (x is not greater than 0.4) strained-layer superlattices (SLSs) on GaSb(100) substrates. A number of surface atomic structures were observed in the growth of the SLS: a (1 x 3) phase from the InAs epilayer surface, a (2 x 3) phase, a (2 x 4) phase, and diffuse (1 x 1)-like phases from the InAs epilayer surface. It is suggested that the long-range order quality of the interface of Ga(1-x)In(x)Sb on InAs may be better than that of the interface of InAs on Ga(1-x)In(x)Sb, but the abruptness of the interfaces would still be compatible. The RHEED intensity variations in the formation of the interfaces are discussed in terms of interface chemical reactions.

Coherently coupled ZnO and VO2 interface studied by photoluminescence and electrical transport across a phase transition

NASA Astrophysics Data System (ADS)

Srivastava, Amar; Herng, T. S.; Saha, Surajit; Nina, Bao; Annadi, A.; Naomi, N.; Liu, Z. Q.; Dhar, S.; Ariando; Ding, J.; Venkatesan, T.

2012-06-01

We have investigated the photoluminescence and electrical properties of a coherently coupled interface consisting of a ZnO layer grown on top of an oriented VO2 layer on sapphire across the phase transition of VO2. The band edge and defect luminescence of the ZnO overlayer exhibit hysteresis in opposite directions induced by the phase transition of VO2. Concomitantly the phase transition of VO2 was seen to induce defects in the ZnO layer. Such coherently coupled interfaces could be of use in characterizing the stability of a variety of interfaces in situ and also for novel device application.

Condensation in One-Dimensional Dead-End Nanochannels.

PubMed

Zhong, Junjie; Zandavi, Seyed Hadi; Li, Huawei; Bao, Bo; Persad, Aaron H; Mostowfi, Farshid; Sinton, David

2017-01-24

Phase change at the nanoscale is at the heart of many biological and geological phenomena. The recent emergence and global implications of unconventional oil and gas production from nanoporous shale further necessitate a higher understanding of phase behavior at these scales. Here, we directly observe condensation and condensate growth of a light hydrocarbon (propane) in discrete sub-100 nm (∼70 nm) channels. Two different condensation mechanisms at this nanoscale are distinguished, continuous growth and discontinuous growth due to liquid bridging ahead of the meniscus, both leading to similar net growth rates. The growth rates agree well with those predicted by a suitably defined thermofluid resistance model. In contrast to phase change at larger scales (∼220 and ∼1000 nm cases), the rate of liquid condensate growth in channels of sub-100 nm size is found to be limited mainly by vapor flow resistance (∼70% of the total resistance here), with interface resistance making up the difference. The condensation-induced vapor flow is in the transitional flow regime (Knudsen flow accounting for up to 13% of total resistance here). Collectively, these results demonstrate that with confinement at sub-100 nm scales, such as is commonly found in porous shale and other applications, condensation conditions deviate from the microscale and larger bulk conditions chiefly due to vapor flow and interface resistances.

Electrostatic coalescence system with independent AC and DC hydrophilic electrodes

DOEpatents

Hovarongkura, A. David; Henry, Jr., Joseph D.

1981-01-01

An improved electrostatic coalescence system is provided in which independent AC and DC hydrophilic electrodes are employed to provide more complete dehydration of an oil emulsion. The AC field is produced between an AC electrode array and the water-oil interface wherein the AC electrode array is positioned parallel to the interface which acts as a grounded electrode. The emulsion is introduced into the AC field in an evenly distributed manner at the interface. The AC field promotes drop-drop and drop-interface coalescence of the water phase in the entering emulsion. The continuous oil phase passes upward through the perforated AC electrode array and enters a strong DC field produced between closely spaced DC electrodes in which small dispersed droplets of water entrained in the continuous phase are removed primarily by collection at hydrophilic DC electrodes. Large droplets of water collected by the electrodes migrate downward through the AC electrode array to the interface. All phase separation mechanisms are utilized to accomplish more complete phase separation.

Development of glue type potentials for the Al-Pb system: computer simulation of Pb/Al interfaces and phase diagram calculation

NASA Astrophysics Data System (ADS)

Landa, Alex; Wynblatt, Paul; Siegel, Donald; Adams, Jim; Johnson, Erik; Dahmen, Uli

2000-03-01

Empirical many-body potentials have been constructed for the Al-Pb system using the ``force matching" method. The potentials have been fitted to a set of the ground state physical quantities calculated within ab initio approach and a massive quantum mechanical forces database for samples of bulk Al-Pb liquid alloys generated using ab initio molecular dynamics program VASP. Monte Carlo simulations using these potentials have been employed to compute an Al-Pb phase diagram, which is in fair agreement with experimental data, and to model the structure of (111) and (100) Pb/Al interfaces. The calculated free energy ratios for the Pb/Al 100 and 111 interfaces are in good agreement with recent high-resolution transmission electron microscopy measurements. The constructed glue potentials correctly reflects the large change in anisotropy which is observed experimentally between isolated Pb crystals and Pb crystals embedded in Al. Support by the DOE under grants DE-FG02-99ER45773 and DE-AC03-76SF00098, the NSF under grant DMR9619353 and the Danish Natural Sciences Research Council.

Artefacts in geometric phase analysis of compound materials.

PubMed

Peters, Jonathan J P; Beanland, Richard; Alexe, Marin; Cockburn, John W; Revin, Dmitry G; Zhang, Shiyong Y; Sanchez, Ana M

2015-10-01

The geometric phase analysis (GPA) algorithm is known as a robust and straightforward technique that can be used to measure lattice strains in high resolution transmission electron microscope (TEM) images. It is also attractive for analysis of aberration-corrected scanning TEM (ac-STEM) images that resolve every atom column, since it uses Fourier transforms and does not require real-space peak detection and assignment to appropriate sublattices. Here it is demonstrated that, in ac-STEM images of compound materials with compositionally distinct atom columns, an additional geometric phase is present in the Fourier transform. If the structure changes from one area to another in the image (e.g. across an interface), the change in this additional phase will appear as a strain in conventional GPA, even if there is no lattice strain. Strategies to avoid this pitfall are outlined. Copyright © 2015 Elsevier B.V. All rights reserved.

Interface Reactions and Synthetic Reaction of Composite Systems

PubMed Central

Park, Joon Sik; Kim, Jeong Min

2010-01-01

Interface reactions in composite systems often determine their overall properties, since product phases usually formed at interfaces during composite fabrication processing make up a large portion of the composites. Since most composite materials represent a ternary or higher order materials system, many studies have focused on analyses of diffusion phenomena and kinetics in multicomponent systems. However, the understanding of the kinetic behavior increases the complexity, since the kinetics of each component during interdiffusion reactions need to be defined for interpreting composite behaviors. From this standpoint, it is important to clarify the interface reactions for producing compatible interfaces with desired product phases. A thermodynamic evaluation such as a chemical potential of involving components can provide an understanding of the diffusion reactions, which govern diffusion pathways and product phase formation. A strategic approach for designing compatible interfaces is discussed in terms of chemical potential diagrams and interface morphology, with some material examples.

Microwave irradiation induced modifications on the interfaces in SAN/EVA/PVC and PVAc/BPA/PVP ternary polymer blends: Positron lifetime study

NASA Astrophysics Data System (ADS)

Dinesh, Meghala; Chikkakuntappa, Ranganathaiah

2013-09-01

Ternary polymer blends of poly(styrene-co-acrylonitrile)/poly(ethylene-co-vinylacetate)/poly(vinyl chloride) (SAN/EVA/PVC) and poly(vinyl acetate)/bisphenol A/polyvinylpyrrolidone (PVAc/BPA/PVP) with different compositions have been prepared by solvent casting method and characterized by positron lifetime spectroscopy and differential scanning calorimetry DSC. Phase modifications have been induced by irradiating the blends with microwave radiation. These changes have been monitored by measuring the free-volume content in the blends. The results clearly show improved interactions between the constituent polymers of the blends upon microwave irradiation. However, the free-volume data and DSC measurements are found to be inadequate to reveal the changes at the interfaces and the interfaces determine the final properties of the blend. For this we have used hydrodynamic interaction (αij) approach developed by us to measure strength of hydrodynamic interaction at the interfaces. These results show that microwave irradiation stabilizes the interfaces if the blend contains strong polar groups. SAN/EVA/PVC blend shows an increased effective hydrodynamic interaction from -3.18 to -4.85 at composition 50/35/15 upon microwave irradiation and PVAc/BPA/PVP blend shows an increased effective hydrodynamic interaction from -3.81 to -7.57 at composition 20/50/30 after irradiation.

Nanoscale capillary freezing of ionic liquids confined between metallic interfaces and the role of electronic screening

PubMed Central

Comtet, Jean; Niguès, Antoine; Kaiser, Vojtech; Coasne, Benoit; Bocquet, Lydéric; Siria, Alessandro

2017-01-01

Room temperature Ionic liquids (RTIL) are new materials with fundamental importance for energy storage and active lubrication. They are unsual liquids, which challenge the classical frameworks of electrolytes, whose behavior at electrified interfaces remains elusive with exotic responses relevant to their electrochemical activity. By means of tuning fork based AFM nanorheological measurements, we explore here the properties of confined RTIL, unveiling a dramatic change of the RTIL towards a solid-like phase below a threshold thickness, pointing to capillary freezing in confinement. This threshold is related to the metallic nature of the confining materials, with more metallic surfaces facilitating freezing. This is interpreted in terms of the shift of freezing transition, taking into account the influence of the electronic screening on RTIL wetting of the confining surfaces. Our findings provide fresh views on the properties of confined RTIL with implications for their properties inside nanoporous metallic structures and suggests applications to tune nanoscale lubrication with phase-changing RTIL, by varying the nature and patterning of the substrate, and application of active polarisation. PMID:28346432

Nanoscale capillary freezing of ionic liquids confined between metallic interfaces and the role of electronic screening.

PubMed

Comtet, Jean; Niguès, Antoine; Kaiser, Vojtech; Coasne, Benoit; Bocquet, Lydéric; Siria, Alessandro

2017-06-01

Room-temperature ionic liquids (RTILs) are new materials with fundamental importance for energy storage and active lubrication. They are unusual liquids, which challenge the classical frameworks of electrolytes, whose behaviour at electrified interfaces remains elusive, with exotic responses relevant to their electrochemical activity. Using tuning-fork-based atomic force microscope nanorheological measurements, we explore here the properties of confined RTILs, unveiling a dramatic change of the RTIL towards a solid-like phase below a threshold thickness, pointing to capillary freezing in confinement. This threshold is related to the metallic nature of the confining materials, with more metallic surfaces facilitating freezing. This behaviour is interpreted in terms of the shift of the freezing transition, taking into account the influence of the electronic screening on RTIL wetting of the confining surfaces. Our findings provide fresh views on the properties of confined RTIL with implications for their properties inside nanoporous metallic structures, and suggests applications to tune nanoscale lubrication with phase-changing RTILs, by varying the nature and patterning of the substrate, and application of active polarization.

Nanoscale capillary freezing of ionic liquids confined between metallic interfaces and the role of electronic screening

NASA Astrophysics Data System (ADS)

Comtet, Jean; Niguès, Antoine; Kaiser, Vojtech; Coasne, Benoit; Bocquet, Lydéric; Siria, Alessandro

2017-06-01

Room-temperature ionic liquids (RTILs) are new materials with fundamental importance for energy storage and active lubrication. They are unusual liquids, which challenge the classical frameworks of electrolytes, whose behaviour at electrified interfaces remains elusive, with exotic responses relevant to their electrochemical activity. Using tuning-fork-based atomic force microscope nanorheological measurements, we explore here the properties of confined RTILs, unveiling a dramatic change of the RTIL towards a solid-like phase below a threshold thickness, pointing to capillary freezing in confinement. This threshold is related to the metallic nature of the confining materials, with more metallic surfaces facilitating freezing. This behaviour is interpreted in terms of the shift of the freezing transition, taking into account the influence of the electronic screening on RTIL wetting of the confining surfaces. Our findings provide fresh views on the properties of confined RTIL with implications for their properties inside nanoporous metallic structures, and suggests applications to tune nanoscale lubrication with phase-changing RTILs, by varying the nature and patterning of the substrate, and application of active polarization.

Giant Tunnel Magnetoresistance with a Single Magnetic Phase-Transition Electrode

NASA Astrophysics Data System (ADS)

Zhang, Jia; Chen, X. Z.; Song, C.; Feng, J. F.; Wei, H. X.; Lü, Jing-Tao

2018-04-01

The magnetic phase-transition tunnel-magnetoresistance (MPT-TMR) effect with a single magnetic electrode is investigated by first-principles calculations. The calculations show that the MPT-TMR of an α'-FeRh /MgO /Cu tunnel junction can be as high as hundreds of percent when the magnetic structure of α'-FeRh changes from G -type antiferromagnetic (G -AFM ) to ferromagnetic order. This type of MPT-TMR may be superior to the tunnel anisotropic magnetoresistance because of its huge magnetoresistance effect and similar structural simplicity. The main mechanism for the giant MPT-TMR can be attributed to the formation of interface resonant states at the G -AFM FeRh /MgO interface. A direct FeRh /MgO interface is found to be necessary for achieving a high MPT-TMR experimentally. Moreover, we find the α'-FeRh /MgO interface with FeRh in the ferromagnetic phase has nearly full spin polarization due to the negligible majority transmission and significantly different Fermi surface of two spin channels. Thus, it may act as a highly efficient and tunable spin injector. In addition, the electric-field-driven MPT of FeRh-based heteromagnetic nanostructures can be utilized to design various energy-efficient tunnel-junction structures and the corresponding lower-power-consumption devices. We also discuss the consequence of various junction defects on MPT-TMR. The interface oxygen layer is found to be detrimental to MPT-TMR. The sign of MPT-TMR is reversed with Rh termination due to the lack of contribution from the interface resonance states. However, the MPT-TMR may be robust against the oxygen vacancy inside of MgO and the shift of the Fermi energy. Our results will stimulate further experimental investigations of MPT-TMR and other fascinating phenomenon of FeRh-based tunnel junctions that may be promising in antiferromagnetic spintronics.

Electrochemical ion transfer across liquid/liquid interfaces confined within solid-state micropore arrays--simulations and experiments.

PubMed

Strutwolf, Jörg; Scanlon, Micheál D; Arrigan, Damien W M

2009-01-01

Miniaturised liquid/liquid interfaces provide benefits for bioanalytical detection with electrochemical methods. In this work, microporous silicon membranes which can be used for interface miniaturisation were characterized by simulations and experiments. The microporous membranes possessed hexagonal arrays of pores with radii between 10 and 25 microm, a pore depth of 100 microm and pore centre-to-centre separations between 99 and 986 microm. Cyclic voltammetry was used to monitor ion transfer across arrays of micro-interfaces between two immiscible electrolyte solutions (microITIES) formed at these membranes, with the organic phase present as an organogel. The results were compared to computational simulations taking into account mass transport by diffusion and encompassing diffusion to recessed interfaces and overlapped diffusion zones. The simulation and experimental data were both consistent with the situation where the location of the liquid/liquid (l/l) interface was on the aqueous side of the silicon membrane and the pores were filled with the organic phase. While the current for the forward potential scan (transfer of the ion from the aqueous phase to the organic phase) was strongly dependent on the location of the l/l interface, the current peak during the reverse scan (transfer of the ion from the organic phase to the aqueous phase) was influenced by the ratio of the transferring ion's diffusion coefficients in both phases. The diffusion coefficient of the transferring ion in the gelified organic phase was ca. nine times smaller than in the aqueous phase. Asymmetric cyclic voltammogram shapes were caused by the combined effect of non-symmetrical diffusion (spherical and linear) and by the inequality of the diffusion coefficient in both phases. Overlapping diffusion zones were responsible for the observation of current peaks instead of steady-state currents during the forward scan. The characterisation of the diffusion behaviour is an important requirement for application of these silicon membranes in electroanalytical chemistry.

In situ interactions between Opalinus Clay and Low Alkali Concrete

NASA Astrophysics Data System (ADS)

Lerouge, Catherine; Gaboreau, Stéphane; Grangeon, Sylvain; Claret, Francis; Warmont, Fabienne; Jenni, Andreas; Cloet, Veerle; Mäder, Urs

2017-06-01

A five-year-old interface between a Low Alkali Concrete (LAC) formulation (CEM III/B containing 66% slag and 10% nano-silica) and Opalinus Clay (OPA) from a field experiment at Mont Terri Underground Rock Laboratory in Switzerland (Jenni et al., 2014) has been studied to decipher the textural, mineralogical and chemical changes that occurred between the two reacting materials. Reactivity between LAC concrete and OPA is found to be limited to a ∼1 mm thick highly porous (ca. 75% porosity) white crust developed on the concrete side. Quantitative mineralogical mapping of the white crust using an electron microprobe and infrared spectroscopy on the cement matrix provides evidence of a Mg-rich phase accounting for approximatively 25 wt % of the matrix associated with 11 wt % of calcite, calcium silicate hydrate (C-S-H) and other cement phases. EDX analyses and electron diffraction combined with transmission electron microscopy of the Mg-rich phase provide evidence for a tri-octahedral 2:1 phyllosilicate with mean composition: (Ca0.5±0.2) (Mg2.0±0.4, Fe0.2±0.1, Al0.5±03, □0.3±0.3) (Al0.9±0.2, Si3.1±0.2) O10 (OH)2, where □ represents vacancies in the octahedral site. Apart from this reactive contact, textural, mineralogical and chemical modifications at the contact with the LAC concrete are limited. OPA mineralogy remains largely unmodified. X-ray micro-fluorescence and EPMA mapping of major elements on the OPA side also provides evidence for a Mg-enriched 300-400 μm thick layer. The cation exchange capacity (CEC) values measured in the OPA in contact with the LAC concrete range between 153 and 175 meq kg-1 of dry OPA, close to the reference value of 170 ± 10 meq kg-1 of dry OPA (Pearson et al., 2003). Changing cation occupancies at the interface with LAC concrete are mainly marked by increased Ca, Mg and K, and decreased Na. Leaching tests performed on OPA with deionized water and at different solid to water ratios strongly suggest that Cl and SO4 have either conservative behaviour or are constrained by the solubility of a precipitated sulfate phase. The Cl and SO4 concentrations measured at 2 cm from the interface are close to concentrations of undisturbed OPA pore waters (SO4: 4.5 ± 1.5 mmol kg-1 of dry OPA; Cl: 7.5 ± 2.1 mmol kg-1of dry OPA), and increase towards the interface with the concrete. The SO4 to Cl ratio also increases towards the interface, suggesting that the increasing anion concentrations are not related to porosity variations but rather to a concentration gradient and sulfate phase precipitation near the interface.

Molecular conformation of linear alkane molecules: From gas phase to bulk water through the interface

NASA Astrophysics Data System (ADS)

Murina, Ezequiel L.; Fernández-Prini, Roberto; Pastorino, Claudio

2017-08-01

We studied the behavior of long chain alkanes (LCAs) as they were transferred from gas to bulk water, through the liquid-vapor interface. These systems were studied using umbrella sampling molecular dynamics simulation and we have calculated properties like free energy profiles, molecular orientation, and radius of gyration of the LCA molecules. The results show changes in conformation of the solutes along the path. LCAs adopt pronounced molecular orientations and the larger ones extend appreciably when partially immersed in the interface. In bulk water, their conformations up to dodecane are mainly extended. However, larger alkanes like eicosane present a more stable collapsed conformation as they approach bulk water. We have characterized the more probable configurations in all interface and bulk regions. The results obtained are of interest for the study of biomatter processes requiring the transfer of hydrophobic matter, especially chain-like molecules like LCAs, from gas to bulk aqueous systems through the interface.

Quasi-Phase Diagrams at Air/Oil Interfaces and Bulk Oil Phases for Crystallization of Small-Molecular Semiconductors by Adjusting Gibbs Adsorption.

PubMed

Watanabe, Satoshi; Ohta, Takahisa; Urata, Ryota; Sato, Tetsuya; Takaishi, Kazuto; Uchiyama, Masanobu; Aoyama, Tetsuya; Kunitake, Masashi

2017-09-12

The temperature and concentration dependencies of the crystallization of two small-molecular semiconductors were clarified by constructing quasi-phase diagrams at air/oil interfaces and in bulk oil phases. A quinoidal quaterthiophene derivative with four alkyl chains (QQT(CN)4) in 1,1,2,2-tetrachroloethane (TCE) and a thienoacene derivative with two alkyl chains (C8-BTBT) in o-dichlorobenzene were used. The apparent crystal nucleation temperature (T n ) and dissolution temperature (T d ) of the molecules were determined based on optical microscopy examination in closed glass capillaries and open dishes during slow cooling and heating processes, respectively. T n and T d were considered estimates of the critical temperatures for nuclear formation and crystal growth, respectively. The T n values of QQT(CN)4 and C8-BTBT at the air/oil interfaces were higher than those in the bulk oil phases, whereas the T d values at the air/oil interfaces were almost the same as those in the bulk oil phases. These Gibbs adsorption phenomena were attributed to the solvophobic effect of the alkyl chain moieties. The temperature range between T n and T d corresponds to suitable supercooling conditions for ideal crystal growth based on the suppression of nucleation. The T n values at the water/oil and oil/glass interfaces did not shift compared with those of the bulk phases, indicating that adsorption did not occur at the hydrophilic interfaces. Promotion and inhibition of nuclear formation for crystal growth of the semiconductors were achieved at the air/oil and hydrophilic interfaces, respectively.

Permittivity changes induced by injected electrons and field-induced phase transition in KTa1-xNbxO3 optical beam deflectors

NASA Astrophysics Data System (ADS)

Imai, Tadayuki; Toyoda, Seiji; Miyazu, Jun; Kobayashi, Junya; Kojima, Seiji

2014-09-01

A space-charge-controlled optical beam deflector made of a KTa1-xNbxO3 (KTN) single crystal utilizes electrons that are injected through the cathode by applying voltage. With the deflector made of lithium-doped KTN (K0.95Li0.05Ta0.73Nb0.27O3, KLTN/0.05/0.27), we observed large increases in the capacitance of the deflector when we injected electrons. The increases were not caused by changes in the electrode interface but by changes in the permittivity of the bulk crystal. In the paraelectric phase, the KLTN/0.05/0.27 crystal exhibited nonlinearity in the dielectric response with double hysteresis loops in the D-E curves. We ascribed the permittivity change to this nonlinear phenomenon. We also discuss this nonlinearity in terms of the Landau-Devonshire phenomenological theory. The coefficient g4 of the fourth power term in the expanded free energy was negative in the paraelectric phase near the phase transition temperature as it is for other materials that exhibit a first-order phase transition. However, g4 depended on the temperature and its sign became positive about 15 °C above the phase transition temperature.

Disruption of the air-sea interface and formation of two-phase transitional layer in hurricane conditions

NASA Astrophysics Data System (ADS)

Soloviev, A.; Matt, S.; Fujimura, A.

2012-04-01

The change of the air-sea interaction regime in hurricane conditions is linked to the mechanism of direct disruption of the air-sea interface by pressure fluctuations working against surface tension forces (Soloviev and Lukas, 2010). The direct disruption of the air-sea interface due to the Kelvin-Helmholtz (KH) instability and formation of a two-phase transitional layer have been simulated with a computational fluid dynamics model. The volume of fluid multiphase model included surface tension at the water-air interface. The model was initialized with either a flat interface or short wavelets. Wind stress was applied at the upper boundary of the air layer, ranging from zero stress to hurricane force stress in different experiments. Under hurricane force wind, the numerical model demonstrated disruption of the air-water interface and the formation of spume and the two-phase transition layer. In the presence of a transition layer, the air-water interface is no longer explicitly identifiable. As a consequence, the analysis of dimensions suggests a linear dependence for velocity and logarithm of density on depth (which is consistent with the regime of marginal stability in the transition layer). The numerical simulations confirmed the presence of linear segments in the corresponding profiles within the transition layer. This permitted a parameterization of the equivalent drag coefficient due to the presence of the two-phase transition layer at the air-sea interface. This two-phase layer parameterization represented the lower limit imposed on the drag coefficient under hurricane conditions. The numerical simulations helped to reduce the uncertainty in the critical Richardson number applicable to the air-sea interface and in the values of two dimensionless constants; this reduced the uncertainty in the parameterization of the lower limit on the drag coefficient. The available laboratory data (Donelan et al., 2004) are bounded by the two-phase layer parameterization from below and the wave resistance parameterization from above. The available field data (Powell et al., 2003; Black et al., 2007) fall between these two parameterizations, for wind speeds of up to 50 m/s. A few points from the dropsonde data from Powell et al. (2003), obtained at very high wind speeds, are below the theoretical lower limit on the drag coefficient. We also conducted a numerical experiment with imposed short wavelets. Streamwise coherent structures were observed on the water surface, which were especially prominent on the top of wave crests. These intermittent streamwise structures on the top of wavelets, with periodicity in the transverse direction, presumably were a result of the Tollmien-Schlichting (TS) instability. Similar processes take place at the atomization of liquid fuels in cryogenic and diesel engines (Yecko et al., 2002). According to McNaughton and Brunet (2002), the nonlinear stage of the TS instability results in streamwise streaks followed by fluid ejections. This mechanism can contribute to the generation of spume in the form of streaks. Foam streaks are an observable feature on photographic images of the ocean surface under hurricane conditions. The mechanism of the TS instability can also contribute to dispersion of oil spills and other pollutants in hurricane conditions.

Gradient-augmented hybrid interface capturing method for incompressible two-phase flow

NASA Astrophysics Data System (ADS)

Zheng, Fu; Shi-Yu, Wu; Kai-Xin, Liu

2016-06-01

Motivated by inconveniences of present hybrid methods, a gradient-augmented hybrid interface capturing method (GAHM) is presented for incompressible two-phase flow. A front tracking method (FTM) is used as the skeleton of the GAHM for low mass loss and resources. Smooth eulerian level set values are calculated from the FTM interface, and are used for a local interface reconstruction. The reconstruction avoids marker particle redistribution and enables an automatic treatment of interfacial topology change. The cubic Hermit interpolation is employed in all steps of the GAHM to capture subgrid structures within a single spacial cell. The performance of the GAHM is carefully evaluated in a benchmark test. Results show significant improvements of mass loss, clear subgrid structures, highly accurate derivatives (normals and curvatures) and low cost. The GAHM is further coupled with an incompressible multiphase flow solver, Super CE/SE, for more complex and practical applications. The updated solver is evaluated through comparison with an early droplet research. Project supported by the National Natural Science Foundation of China (Grant Nos. 10972010, 11028206, 11371069, 11372052, 11402029, and 11472060), the Science and Technology Development Foundation of China Academy of Engineering Physics (CAEP), China (Grant No. 2014B0201030), and the Defense Industrial Technology Development Program of China (Grant No. B1520132012).

A novel artificial condensed matter lattice and a new platform for one-dimensional topological phases

DOE PAGES

Belopolski, Ilya; Xu, Su -Yang; Koirala, Nikesh; ...

2017-03-24

Engineered lattices in condensed matter physics, such as cold-atom optical lattices or photonic crystals, can have properties that are fundamentally different from those of naturally occurring electronic crystals. We report a novel type of artificial quantum matter lattice. Our lattice is a multilayer heterostructure built from alternating thin films of topological and trivial insulators. Each interface within the heterostructure hosts a set of topologically protected interface states, and by making the layers sufficiently thin, we demonstrate for the first time a hybridization of interface states across layers. In this way, our heterostructure forms an emergent atomic chain, where the interfacesmore » act as lattice sites and the interface states act as atomic orbitals, as seen from our measurements by angle-resolved photoemission spectroscopy. By changing the composition of the heterostructure, we can directly control hopping between lattice sites. We realize a topological and a trivial phase in our superlattice band structure. We argue that the superlattice may be characterized in a significant way by a one-dimensional topological invariant, closely related to the invariant of the Su-Schrieffer-Heeger model. Our topological insulator heterostructure demonstrates a novel experimental platform where we can engineer band structures by directly controlling how electrons hop between lattice sites.« less

A novel artificial condensed matter lattice and a new platform for one-dimensional topological phases

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

Belopolski, Ilya; Xu, Su -Yang; Koirala, Nikesh

Engineered lattices in condensed matter physics, such as cold-atom optical lattices or photonic crystals, can have properties that are fundamentally different from those of naturally occurring electronic crystals. We report a novel type of artificial quantum matter lattice. Our lattice is a multilayer heterostructure built from alternating thin films of topological and trivial insulators. Each interface within the heterostructure hosts a set of topologically protected interface states, and by making the layers sufficiently thin, we demonstrate for the first time a hybridization of interface states across layers. In this way, our heterostructure forms an emergent atomic chain, where the interfacesmore » act as lattice sites and the interface states act as atomic orbitals, as seen from our measurements by angle-resolved photoemission spectroscopy. By changing the composition of the heterostructure, we can directly control hopping between lattice sites. We realize a topological and a trivial phase in our superlattice band structure. We argue that the superlattice may be characterized in a significant way by a one-dimensional topological invariant, closely related to the invariant of the Su-Schrieffer-Heeger model. Our topological insulator heterostructure demonstrates a novel experimental platform where we can engineer band structures by directly controlling how electrons hop between lattice sites.« less

A finite element model to assess transtibial prosthetic sockets with elastomeric liners.

PubMed

Cagle, John C; Reinhall, Per G; Allyn, Kate J; McLean, Jake; Hinrichs, Paul; Hafner, Brian J; Sanders, Joan E

2017-12-13

People with transtibial amputation often experience skin breakdown due to the pressures and shear stresses that occur at the limb-socket interface. The purpose of this research was to create a transtibial finite element model (FEM) of a contemporary prosthesis that included complete socket geometry, two frictional interactions (limb-liner and liner-socket), and an elastomeric liner. Magnetic resonance imaging scans from three people with characteristic transtibial limb shapes (i.e., short-conical, long-conical, and cylindrical) were acquired and used to develop the models. Each model was evaluated with two loading profiles to identify locations of focused stresses during stance phase. The models identified five locations on the participants' residual limbs where peak stresses matched locations of mechanically induced skin issues they experienced in the 9 months prior to being scanned. The peak contact pressure across all simulations was 98 kPa and the maximum resultant shear stress was 50 kPa, showing reasonable agreement with interface stress measurements reported in the literature. Future research could take advantage of the developed FEM to assess the influence of changes in limb volume or liner material properties on interface stress distributions. Graphical abstract Residual limb finite element model. Left: model components. Right: interface pressures during stance phase.

Multi-level storage and ultra-high speed of superlattice-like Ge50Te50/Ge8Sb92 thin film for phase-change memory application.

PubMed

Wu, Weihua; Chen, Shiyu; Zhai, Jiwei; Liu, Xinyi; Lai, Tianshu; Song, Sannian; Song, Zhitang

2017-10-06

Superlattice-like Ge 50 Te 50 /Ge 8 Sb 92 (SLL GT/GS) thin film was systematically investigated for multi-level storage and ultra-fast switching phase-change memory application. In situ resistance measurement indicates that SLL GT/GS thin film exhibits two distinct resistance steps with elevated temperature. The thermal stability of the amorphous state and intermediate state were evaluated with the Kissinger and Arrhenius plots. The phase-structure evolution revealed that the amorphous SLL GT/GS thin film crystallized into rhombohedral Sb phase first, then the rhombohedral GeTe phase. The microstructure, layered structure, and interface stability of SLL GT/GS thin film was confirmed by using transmission electron microscopy. The transition speed of crystallization and amorphization was measured by the picosecond laser pump-probe system. The volume variation during the crystallization was obtained from x-ray reflectivity. Phase-change memory (PCM) cells based on SLL GT/GS thin film were fabricated to verify the multi-level switching under an electrical pulse as short as 30 ns. These results illustrate that the SLL GT/GS thin film has great potentiality in high-density and high-speed PCM applications.

The effect of an external electric field on the growth of incongruent-melting material

NASA Astrophysics Data System (ADS)

Uda, Satoshi; Huang, Xinming; Wang, Shou-Qi

2005-02-01

The significance of an electric field on the crystallization process is differentiated into two consequences; (i) thermodynamic effect and (ii) growth-dynamic effect. The former modifies the chemical potential of the associated phases which changes the equilibrium phase relationship while the latter influences the solute transport, growth kinetics, surface creation and defect generation during growth. The intrinsic electric field generating during growth is attributed to the crystallization-related electromotive force and the thermoelectric power driven by the temperature gradient at the interface which influences the solute transport and solute partitioning. The external electric field was applied to the growth apparatus in the ternary system of La2O3- Ga2O3- SiO2 so that the chemical potential of both solid and liquid phases changed leading to the variation of the equilibrium phase relationship. Imposing a 500 V/cm electric field on the system moved the boundary of primary phase field of lanthanum gallate ( LaGaO3) and Ga-bearing lanthanum silicate ( La14GaxSi9-xO) toward the SiO2 apex by 5 mol% which clearly demonstrated the change of the phase relationship by the external electric field.

Optical encryption interface

NASA Technical Reports Server (NTRS)

Jackson, Deborah J. (Inventor)

1998-01-01

An analog optical encryption system based on phase scrambling of two-dimensional optical images and holographic transformation for achieving large encryption keys and high encryption speed. An enciphering interface uses a spatial light modulator for converting a digital data stream into a two dimensional optical image. The optical image is further transformed into a hologram with a random phase distribution. The hologram is converted into digital form for transmission over a shared information channel. A respective deciphering interface at a receiver reverses the encrypting process by using a phase conjugate reconstruction of the phase scrambled hologram.

The role of C and Mn at the austenite/pearlite reaction front during non-steady-state pearlite growth in a Fe-C-Mn steel

DOE PAGES

Aranda, M. M.; Rementeria, R.; Poplawsky, Jonathan D.; ...

2015-04-18

The role of C and Mn during the growth of pearlite under non-steady state conditions is analyzed by comparing the phase compositions of austenite, ferrite and cementite (γ+α+θ) through the use of transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), and atom probe tomography (APT) measurements across the austenite/pearlite interface. Furthermore, a local Mn enrichment and C depletion at the austenite/pearlite interface has been measured, which causes a change in the driving force with time during divergent pearlite growth.

Robust electroencephalogram phase estimation with applications in brain-computer interface systems.

PubMed

Seraj, Esmaeil; Sameni, Reza

2017-03-01

In this study, a robust method is developed for frequency-specific electroencephalogram (EEG) phase extraction using the analytic representation of the EEG. Based on recent theoretical findings in this area, it is shown that some of the phase variations-previously associated to the brain response-are systematic side-effects of the methods used for EEG phase calculation, especially during low analytical amplitude segments of the EEG. With this insight, the proposed method generates randomized ensembles of the EEG phase using minor perturbations in the zero-pole loci of narrow-band filters, followed by phase estimation using the signal's analytical form and ensemble averaging over the randomized ensembles to obtain a robust EEG phase and frequency. This Monte Carlo estimation method is shown to be very robust to noise and minor changes of the filter parameters and reduces the effect of fake EEG phase jumps, which do not have a cerebral origin. As proof of concept, the proposed method is used for extracting EEG phase features for a brain computer interface (BCI) application. The results show significant improvement in classification rates using rather simple phase-related features and a standard K-nearest neighbors and random forest classifiers, over a standard BCI dataset. The average performance was improved between 4-7% (in absence of additive noise) and 8-12% (in presence of additive noise). The significance of these improvements was statistically confirmed by a paired sample t-test, with 0.01 and 0.03 p-values, respectively. The proposed method for EEG phase calculation is very generic and may be applied to other EEG phase-based studies.

Crystal-Phase Quantum Wires: One-Dimensional Heterostructures with Atomically Flat Interfaces.

PubMed

Corfdir, Pierre; Li, Hong; Marquardt, Oliver; Gao, Guanhui; Molas, Maciej R; Zettler, Johannes K; van Treeck, David; Flissikowski, Timur; Potemski, Marek; Draxl, Claudia; Trampert, Achim; Fernández-Garrido, Sergio; Grahn, Holger T; Brandt, Oliver

2018-01-10

In semiconductor quantum-wire heterostructures, interface roughness leads to exciton localization and to a radiative decay rate much smaller than that expected for structures with flat interfaces. Here, we uncover the electronic and optical properties of the one-dimensional extended defects that form at the intersection between stacking faults and inversion domain boundaries in GaN nanowires. We show that they act as crystal-phase quantum wires, a novel one-dimensional quantum system with atomically flat interfaces. These quantum wires efficiently capture excitons whose radiative decay gives rise to an optical doublet at 3.36 eV at 4.2 K. The binding energy of excitons confined in crystal-phase quantum wires is measured to be more than twice larger than that of the bulk. As a result of their unprecedented interface quality, these crystal-phase quantum wires constitute a model system for the study of one-dimensional excitons.

From Two-Phase to Three-Phase: The New Electrochemical Interface by Oxide Electrocatalysts

NASA Astrophysics Data System (ADS)

Xu, Zhichuan J.

2018-03-01

Electrochemical reactions typically occur at the interface between a solid electrode and a liquid electrolyte. The charge exchange behaviour between these two phases determines the kinetics of electrochemical reactions. In the past few years, significant advances have been made in the development of metal oxide electrocatalysts for fuel cell and electrolyser reactions. However, considerable gaps remain in the fundamental understanding of the charge transfer pathways and the interaction between the metal oxides and the conducting substrate on which they are located. In particular, the electrochemical interfaces of metal oxides are significantly different from the traditional (metal) ones, where only a conductive solid electrode and a liquid electrolyte are considered. Oxides are insulating and have to be combined with carbon as a conductive mediator. This electrode configuration results in a three-phase electrochemical interface, consisting of the insulating oxide, the conductive carbon, and the liquid electrolyte. To date, the mechanistic insights into this kind of non-traditional electrochemical interface remain unclear. Consequently conventional electrochemistry concepts, established on classical electrode materials and their two-phase interfaces, are facing challenges when employed for explaining these new electrode materials. [Figure not available: see fulltext.

Electronic phase separation at the LaAlO₃/SrTiO₃ interface.

PubMed

Ariando; Wang, X; Baskaran, G; Liu, Z Q; Huijben, J; Yi, J B; Annadi, A; Barman, A Roy; Rusydi, A; Dhar, S; Feng, Y P; Ding, J; Hilgenkamp, H; Venkatesan, T

2011-02-08

There are many electronic and magnetic properties exhibited by complex oxides. Electronic phase separation (EPS) is one of those, the presence of which can be linked to exotic behaviours, such as colossal magnetoresistance, metal-insulator transition and high-temperature superconductivity. A variety of new and unusual electronic phases at the interfaces between complex oxides, in particular between two non-magnetic insulators LaAlO(3) and SrTiO(3), have stimulated the oxide community. However, no EPS has been observed in this system despite a theoretical prediction. Here, we report an EPS state at the LaAlO(3)/SrTiO(3) interface, where the interface charges are separated into regions of a quasi-two-dimensional electron gas, a ferromagnetic phase, which persists above room temperature, and a (superconductor like) diamagnetic/paramagnetic phase below 60 K. The EPS is due to the selective occupancy (in the form of 2D-nanoscopic metallic droplets) of interface sub-bands of the nearly degenerate Ti orbital in the SrTiO(3). The observation of this EPS demonstrates the electronic and magnetic phenomena that can emerge at the interface between complex oxides mediated by the Ti orbital.

Experimental study of the replacement of calcite by calcium sulphates

NASA Astrophysics Data System (ADS)

Ruiz-Agudo, E.; Putnis, C. V.; Hövelmann, J.; Álvarez-Lloret, P.; Ibáñez-Velasco, A.; Putnis, A.

2015-05-01

Among the most relevant mineral replacement reactions are those involving sulphates and carbonates, which have important geological and technological implications. Here it is shown experimentally that during the interaction of calcite (CaCO3) cleavage surfaces with sulphate-bearing acidic solutions, calcite is ultimately replaced by gypsum (CaSO4 2H2O) and anhydrite (CaSO4), depending on the reaction temperature. Observations suggest that this occurs most likely via an interface-coupled dissolution-precipitation reaction, in which the substrate is replaced pseudomorphically by the product. At 120 and 200 °C gypsum and/or bassanite (CaSO4·0.5H2O) form as precursor phases for the thermodynamically stable anhydrite. Salinity promotes the formation of less hydrated precursor phases during the replacement of calcite by anhydrite. The reaction stops before equilibrium with respect to calcite is reached and during the course of the reaction most of the bulk solutions are undersaturated with respect to the precipitating phase(s). A mechanism consisting of the dissolution of small amounts of solid in a thin layer of fluid at the mineral-fluid interface and the subsequent precipitation of the product phase from this layer is in agreement with these observations. PHREEQC simulations performed in the framework of this mechanism highlight the relevance of transport and surface reaction kinetics on the volume change associated with the CaCO3-CaSO4 replacement. Under our experimental conditions, this reaction occurs with a positive volume change, which ultimately results in passivation of the unreacted substrate before calcite attains equilibrium with respect to the bulk solution.

Molecular dynamics simulation of the cooperative adsorption of barley lipid transfer protein and cis-isocohumulone at the vacuum-water interface.

PubMed

Euston, S R; Hughes, P; Naser, Md A; Westacott, R E

2008-11-01

Molecular dynamic simulations have been carried out on systems containing a mixture of barley lipid transfer protein (LTP) and cis-isocohumulone (a hop derived iso-alpha-acid) in one of its enol forms, in bulk water and at the vacuum-water interface. In solution, the cis-isocohumulone molecules bind to the surface of the LTP molecule. The mechanism of binding appears to be purely hydrophobic in nature via desolvation of the protein surface. Binding of hop acids to the LTP leads to a small change in the 3-D conformation of the protein, but no change in the proportion of secondary structure present in helices, even though there is a significant degree of hop acid binding to the helical regions. At the vacuum-water interface, cis-isocohumulone shows a high surface activity and adsorbs rapidly at the interface. LTP then shows a preference to bind to the preadsorbed hop acid layer at the interface rather than to the bare water-vacuum interface. The free energy of adsorption of LTP at the hop-vacuum-water interface is more favorable than for adsorption at the vacuum-water interface. Our results support the view that hop iso-alpha-acids promote beer foam stability by forming bridges between separate adsorbed protein molecules, thus strengthening the adsorbed protein layer and reducing foam breakdown by lamellar phase drainage. The results also suggest a second mechanism may also occur, whereby the concentration of protein at the interface is increased via enhanced protein adsorption to adsorbed hop acid layers. This too would increase foam stability through its effect on the stabilizing protein layer around the foam bubbles.

Modélisation et simulation numérique du changement de phase liquide vapeur en cavité

NASA Astrophysics Data System (ADS)

Daru, Virginie; Duluc, Marie-Christine; Le Maître, Olivier; Juric, Damir; Le Quéré, Patrick

2006-01-01

A model for the simulation of boiling flow with phase change in a closed cavity is presented. A front-tracking method is used to deal with the liquid-vapor interface. The liquid phase is incompressible while the vapor phase is weakly compressible and obeys to the perfect gas law. This model can deal with large density ratio ( ρ/ρ≃1000) flows while accounting for the saturation curve. Computations are performed on a 1D validation case, idealizing a pressure cooker. Results are compared with a low Mach number approximation. To cite this article: V. Daru et al., C. R. Mecanique 334 (2006).

NUMERICAL ANALYSES FOR TREATING DIFFUSION IN SINGLE-, TWO-, AND THREE-PHASE BINARY ALLOY SYSTEMS

NASA Technical Reports Server (NTRS)

Tenney, D. R.

1994-01-01

This package consists of a series of three computer programs for treating one-dimensional transient diffusion problems in single and multiple phase binary alloy systems. An accurate understanding of the diffusion process is important in the development and production of binary alloys. Previous solutions of the diffusion equations were highly restricted in their scope and application. The finite-difference solutions developed for this package are applicable for planar, cylindrical, and spherical geometries with any diffusion-zone size and any continuous variation of the diffusion coefficient with concentration. Special techniques were included to account for differences in modal volumes, initiation and growth of an intermediate phase, disappearance of a phase, and the presence of an initial composition profile in the specimen. In each analysis, an effort was made to achieve good accuracy while minimizing computation time. The solutions to the diffusion equations for single-, two-, and threephase binary alloy systems are numerically calculated by the three programs NAD1, NAD2, and NAD3. NAD1 treats the diffusion between pure metals which belong to a single-phase system. Diffusion in this system is described by a one-dimensional Fick's second law and will result in a continuous composition variation. For computational purposes, Fick's second law is expressed as an explicit second-order finite difference equation. Finite difference calculations are made by choosing the grid spacing small enough to give convergent solutions of acceptable accuracy. NAD2 treats diffusion between pure metals which form a two-phase system. Diffusion in the twophase system is described by two partial differential equations (a Fick's second law for each phase) and an interface-flux-balance equation which describes the location of the interface. Actual interface motion is obtained by a mass conservation procedure. To account for changes in the thicknesses of the two phases as diffusion progresses, a variable grid technique developed by Murray and Landis is employed. These equations are expressed in finite difference form and solved numerically. Program NAD3 treats diffusion between pure metals which form a two-phase system with an intermediate third phase. Diffusion in the three-phase system is described by three partial differential expressions of Fick's second law and two interface-flux-balance equations. As with the two-phase case, a variable grid finite difference is used to numerically solve the diffusion equations. Computation time is minimized without sacrificing solution accuracy by treating the three-phase problem as a two-phase problem when the thickness of the intermediate phase is less than a preset value. Comparisons between these programs and other solutions have shown excellent agreement. The programs are written in FORTRAN IV for batch execution on the CDC 6600 with a central memory requirement of approximately 51K (octal) 60 bit words.

Study on microstructural changes in thermally-aged stainless steel weld-overlay cladding of nuclear reactor pressure vessels by atom probe tomography

NASA Astrophysics Data System (ADS)

Takeuchi, T.; Kameda, J.; Nagai, Y.; Toyama, T.; Nishiyama, Y.; Onizawa, K.

2011-08-01

The effect of thermal aging on microstructural changes was investigated in stainless steel weld-overlay cladding composed of 90% austenite and 10% δ-ferrite phases using atom probe tomography (APT). In as-received materials subjected to cooling process after post-welding heat treatments (PWHT), a slight fluctuation of the Cr concentration was already observed due to spinodal decomposition in the ferrite phase but not in the austenitic phase. Thermal aging at 400 °C for 10,000 h caused not only an increase in the amplitude of spinodal decomposition but also the precipitation of G phases with composition ratios of Ni:Si:Mn = 16:7:6 in the ferrite phase. The chemical compositions of M 23C 6 type carbides seemed to be formed at the austenite/ferrite interface were analyzed. The analyses of the magnitude of the spinodal decomposition and the hardness implied that the spinodal decomposition was the main cause of the hardening.

Independent Verification and Validation of Complex User Interfaces: A Human Factors Approach

NASA Technical Reports Server (NTRS)

Whitmore, Mihriban; Berman, Andrea; Chmielewski, Cynthia

1996-01-01

The Usability Testing and Analysis Facility (UTAF) at the NASA Johnson Space Center has identified and evaluated a potential automated software interface inspection tool capable of assessing the degree to which space-related critical and high-risk software system user interfaces meet objective human factors standards across each NASA program and project. Testing consisted of two distinct phases. Phase 1 compared analysis times and similarity of results for the automated tool and for human-computer interface (HCI) experts. In Phase 2, HCI experts critiqued the prototype tool's user interface. Based on this evaluation, it appears that a more fully developed version of the tool will be a promising complement to a human factors-oriented independent verification and validation (IV&V) process.

Phase constitution and interface structure of nano-sized Ag-Cu/AlN multilayers: Experiment and ab initio modeling

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

Pigozzi, Giancarlo; Janczak-Rusch, Jolanta; Passerone, Daniele

2012-10-29

Nano-sized Ag-Cu{sub 8nm}/AlN{sub 10nm} multilayers were deposited by reactive DC sputtering on {alpha}-Al{sub 2}O{sub 3}(0001) substrates. Investigation of the phase constitution and interface structure of the multilayers evidences a phase separation of the alloy sublayers into nanosized grains of Ag and Cu. The interfaces between the Ag grains and the quasi-single-crystalline AlN sublayers are semi-coherent, whereas the corresponding Cu/AlN interfaces are incoherent. The orientation relationship between Ag and AlN is constant throughout the entire multilayer stack. These observations are consistent with atomistic models of the interfaces as obtained by ab initio calculations.

Analytical studies on the crystal melt interface shape in the Czochralski process for oxide single crystals

NASA Astrophysics Data System (ADS)

Jeong, Ja Hoon; Kang, In Seok

2000-09-01

Effects of the operating conditions on the crystal-melt interface shape are analytically investigated for the Czochralski process of the oxide single crystals. The ideas, which were used for the silicon single-crystal growth by Jeong et al. (J. Crystal Growth 177 (1997) 157), are extended to the oxide single-crystal growth problem by considering the internal radiation in the crystal phase and the melt phase heat transfer with the high Prandtl number. The interface shape is approximated in the simplest form as a quadratic function of radial position and an expression for the deviation from the flat interface shape is derived as a function of operating conditions. The radiative heat transfer rate between the interface and the ambient is computed by calculating the view factors for the curved interface shape with the assumption that the crystal phase is completely transparent. For the melt phase, the well-known results from the thermal boundary layer analysis are applied for the asymptotic case of high Prandtl number based on the idea that the flow field near the crystal-melt interface can be modeled as either a uniaxial or a biaxial flow. Through this work, essential information on the interface shape deformation and the effects of operating conditions are brought out for the oxide single-crystal growth.

Effects of surfactants on lipase structure, activity, and inhibition.

PubMed

Delorme, Vincent; Dhouib, Rabeb; Canaan, Stéphane; Fotiadu, Frédéric; Carrière, Frédéric; Cavalier, Jean-François

2011-08-01

Lipase inhibitors are the main anti-obesity drugs prescribed these days, but the complexity of their mechanism of action is making it difficult to develop new molecules for this purpose. The efficacy of these drugs is known to depend closely on the physico-chemistry of the lipid-water interfaces involved and on the unconventional behavior of the lipases which are their target enzymes. The lipolysis reaction which occurs at an oil-water interface involves complex equilibria between adsorption-desorption processes, conformational changes and catalytic mechanisms. In this context, surfactants can induce significant changes in the partitioning of the enzyme and the inhibitor between the water phase and lipid-water interfaces. Surfactants can be found at the oil-water interface where they compete with lipases for adsorption, but also in solution in the form of micellar aggregates and monomers that may interact with hydrophobic parts of lipases in solution. These various interactions, combined with the emulsification and dispersion of insoluble substrates and inhibitors, can either promote or decrease the activity and the inhibition of lipases. Here, we review some examples of the various effects of surfactants on lipase structure, activity and inhibition, which show how complex the various equilibria involved in the lipolysis reaction tend to be.

A level set approach for shock-induced α-γ phase transition of RDX

NASA Astrophysics Data System (ADS)

Josyula, Kartik; Rahul; De, Suvranu

2018-02-01

We present a thermodynamically consistent level sets approach based on regularization energy functional which can be directly incorporated into a Galerkin finite element framework to model interface motion. The regularization energy leads to a diffusive form of flux that is embedded within the level sets evolution equation which maintains the signed distance property of the level set function. The scheme is shown to compare well with the velocity extension method in capturing the interface position. The proposed level sets approach is employed to study the α-γphase transformation in RDX single crystal shocked along the (100) plane. Example problems in one and three dimensions are presented. We observe smooth evolution of the phase interface along the shock direction in both models. There is no diffusion of the interface during the zero level set evolution in the three dimensional model. The level sets approach is shown to capture the characteristics of the shock-induced α-γ phase transformation such as stress relaxation behind the phase interface and the finite time required for the phase transformation to complete. The regularization energy based level sets approach is efficient, robust, and easy to implement.

Diffusion Behavior of Mn and Si Between Liquid Oxide Inclusions and Solid Iron-Based Alloy at 1473 K

NASA Astrophysics Data System (ADS)

Kim, Sun-Joong; Tago, Hanae; Kim, Kyung-Ho; Kitamura, Shin-ya; Shibata, Hiroyuki

2018-06-01

In order to clarify the changes in the composition of oxide inclusions in steel, the effect of the metal and oxide composition on the reaction between solid Fe-based alloys and liquid multi-component oxides was investigated using the diffusion couple method at 1473 K. The measured concentration gradients of Mn and Si in the metal indicated that Mn diffused into the metal from the oxide, while the diffusion of Si occurred in the opposite direction. In addition, the MnO content in the oxide decreased with heat treatment time, while the SiO2 content increased. The compositional changes in both phases indicated that the Mn content in the metal near the interface increased with heat treatment with decreasing MnO content in the oxide. Assuming local equilibrium at the interface, the calculated [Mn]2/[Si] ratio at the interface in equilibrium with the oxide increased with increases in the MnO/SiO2 ratio in the oxide. The difference in the [Mn]2/[Si] ratios between the interface and the metal matrix increased, which caused the diffusion of Mn and Si between the multi-component oxide and metal. By measuring the diffusion lengths of Mn and Si in the metal, the chemical diffusion coefficients of Mn and Si were obtained to calculate the composition changes in Mn and Si in the metal. The calculated changes in Mn and Si in the metal agreed with the experimental results.

Quantification of the Mass Transfer at Fluid Interfaces in Microfluidic Channels

NASA Astrophysics Data System (ADS)

Wismeth, Carina; Manhart, Michael; Niessner, Reinhard; Baumann, Thomas

2017-04-01

Mass transfer rates at interfaces in a complex porous media are relevant in many environmental applications and control the functions of natural filter systems in subsurface environments. The mass transfer at fluid interfaces is associated with interface convection caused by local inhomogeneities in interface tension and hydrodynamic instabilities at the interface. If there is a surface tension gradient along the surface a shear stress jump is generated that results in fluid motion along the surface that is called Marangoni effect. These spontaneous convection currents can lead to an increased mass transfer of the transition component at the phase boundary and to an increased mixing of the phases. Therefore compensatory currents at the interface can have a significant influence on the subsurface transport of contaminants in the groundwater area, especially in the vadose zone. Using microfluidic channels and advanced experimental techniques it is possible to measure the fluid flow and mass transfer rates directly and to quantify the effect of the Marangoni convection on the mass transfer at interfaces between a non-aqueous liquid and water with high temporal and spatial resolution. The use of fluorescent particles as well as the recording and analysis of their trajectories is intended to visualize interfacial processes and to quantify the mass transfer at fluid phase boundaries. Concentration gradients at the interface are analysed by spectroscopic methods and allow an assessment of the enrichment and depletion at the phase boundaries. Extensive test series provide the experimental basis for quantifying and analysing the impact of the Marangoni effect on the mass transfer rates at interfaces in porous media in subsurface aquatic environments. Within this research project we concentrate on the effect of Marangoni convection on the mass transfer near an 1-octanol-water interface, which serves as a well defined proxy for non-aqueous phase liquids in porous media. Experiments and a numerical simulation are closely coupled to provide a generic data set with high reproducibility and used to obtain highly resolved three-dimensional data of mass transfer in two- and three-phase systems to foster the understanding of subsurface transport, especially in the vadose zone.

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.

Fabrication and microstructures of functional gradient SiBCN–Nb composite by hot pressing

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

Sun, Min, E-mail: lcxsunmin@163.com; Fu, Ruoyu; Chen, Jun

2016-04-15

A functional gradient material with five layers composed of SiBCN ceramic and niobium (Nb) was prepared successfully by hot pressing. The phase composition, morphology features and microstructures were investigated in each layer of the gradient material. The Nb-containing compounds involving NbC, Nb{sub 6}C{sub 5}, Nb{sub 4}C{sub 3}, Nb{sub 5}Si{sub 3} and NbN increase with the volume fraction of Nb increasing in the sub-layer. They are randomly scattered (≤ 25 vol.% Nb), then strip-like, and finally distribute continuously (≥ 75 vol.% Nb). The size of BN(C) and SiC grains in Nb-containing layers is larger than in 100% SiBCN layer due tomore » the loss of the capsule-like structures. No distinct interfaces form in the transition regions indicating the gradual changes in phase composition and microstructures. - Highlights: • A functional gradient SiBCN–Nb material was prepared successfully by hot pressing. • Phase composition, morphology features and microstructures were investigated. • Thermodynamic calculation was used to aid in the phase analysis. • No distinct interfaces form typical of the functional gradient material.« less

Onset of phase separation in the double perovskite oxide La2MnNiO6

NASA Astrophysics Data System (ADS)

Spurgeon, Steven R.; Sushko, Peter V.; Devaraj, Arun; Du, Yingge; Droubay, Timothy; Chambers, Scott A.

2018-04-01

Identification of kinetic and thermodynamic factors that control crystal nucleation and growth represents a central challenge in materials synthesis. Here we report that apparently defect-free growth of La2MnNiO6 (LMNO) thin films supported on SrTiO3 (STO) proceeds up to 1-5 nm, after which it is disrupted by precipitation of NiO phases. Local geometric phase analysis and ensemble-averaged x-ray reciprocal space mapping show no change in the film strain away from the interface, indicating that mechanisms other than strain relaxation induce the formation of the NiO phases. Ab initio simulations suggest that the electrostatic potential build-up associated with the polarity mismatch at the film-substrate interface promotes the formation of oxygen vacancies with increasing thickness. In turn, oxygen deficiency promotes the formation of Ni-rich regions, which points to the built-in potential as an additional factor that contributes to the NiO precipitation mechanisms. These results suggest that the precipitate-free region could be extended further by either incorporating dopants that suppress the built-in potential or by increasing the oxygen fugacity in order to suppress the formation of oxygen vacancies.

Nondestructive Evaluation of Adhesive Bonds via Ultrasonic Phase Measurements

NASA Technical Reports Server (NTRS)

Haldren, Harold A.; Perey, Daniel F.; Yost, William T.; Cramer, K. Elliott; Gupta, Mool C.

2016-01-01

The use of advanced composites utilizing adhesively bonded structures offers advantages in weight and cost for both the aerospace and automotive industries. Conventional nondestructive evaluation (NDE) has proved unable to reliably detect weak bonds or bond deterioration during service life conditions. A new nondestructive technique for quantitatively measuring adhesive bond strength is demonstrated. In this paper, an ultrasonic technique employing constant frequency pulsed phased-locked loop (CFPPLL) circuitry to monitor the phase response of a bonded structure from change in thermal stress is discussed. Theoretical research suggests that the thermal response of a bonded interface relates well with the quality of the adhesive bond. In particular, the effective stiffness of the adhesive-adherent interface may be extracted from the thermal phase response of the structure. The sensitivity of the CFPPLL instrument allows detection of bond pathologies that have been previously difficult-to-detect. Theoretical results with this ultrasonic technique on single epoxy lap joint (SLJ) specimens are presented and discussed. This technique has the potential to advance the use of adhesive bonds - and by association, advanced composite structures - by providing a reliable method to measure adhesive bond strength, thus permitting more complex, lightweight, and safe designs.

Influence of palmitic acid and hexadecanol on the phase transition temperature and molecular packing of dipalmitoylphosphatidyl-choline monolayers at the air-water interface

NASA Astrophysics Data System (ADS)

Lee, Ka Yee C.; Gopal, Ajaykumar; von Nahmen, Anja; Zasadzinski, Joseph A.; Majewski, Jaroslaw; Smith, Gregory S.; Howes, Paul B.; Kjaer, Kristian

2002-01-01

Palmitic acid (PA) and 1-hexadecanol (HD) strongly affect the phase transition temperature and molecular packing of dipalmitoylphosphatidylcholine (DPPC) monolayers at the air-water interface. The phase behavior and morphology of mixed DPPC/PA as well as DPPC/HD monolayers were determined by pressure-area-isotherms and fluorescence microscopy. The molecular organization was probed by synchrotron grazing incidence x-ray diffraction using a liquid surface diffractometer. Addition of PA or HD to DPPC monolayers increases the temperature of the liquid-expanded to condensed phase transition. X-ray diffraction shows that DPPC forms mixed crystals both with PA and HD over a wide range of mixing ratios. At a surface pressure (π) of 40 mN/m, increasing the amount of the single chain surfactant leads to a reduction in tilt angle of the aliphatic chains from nearly 30° for pure DPPC to almost 0° in a 1:1 molar ratio of DPPC and PA or HD. At this composition we also find closest packing of the aliphatic chains. Further increase of the amount of PA or HD does not change the lattice or the tilt.

Observation of giant exchange bias in bulk Mn50Ni42Sn8 Heusler alloy

NASA Astrophysics Data System (ADS)

Sharma, Jyoti; Suresh, K. G.

2015-02-01

We report a giant exchange bias (EB) field of 3520 Oe in bulk Mn50Ni42Sn8 Heusler alloy. The low temperature magnetic state of the martensite phase has been studied by DC magnetization and AC susceptibility measurements. Frequency dependence of spin freezing temperature (Tf) on critical slowing down relation and observation of memory effect in zero field cooling mode confirms the super spin glass (SSG) phase at low temperatures. Large EB is attributed to the strong exchange coupling between the SSG clusters formed by small regions of ferromagnetic order embedded in an antiferromagnetic (AFM) matrix. The temperature and cooling field dependence of EB have been studied and related to the change in unidirectional anisotropy at SSG/AFM interface. The training effect also corroborates with the presence of frozen (SSG) moments at the interface and their role in EB.

Microfluidic generation of particle-stabilized water-in-water emulsions

NASA Astrophysics Data System (ADS)

Abbasi, Niki; Navi, Maryam; Tsai, Scott

2017-11-01

We present a microfluidic platform that generates particle-stabilized water-in-water emulsions, using an aqueous two-phase system (ATPS) of polyethylene glycol (PEG) and Dextran (DEX). DEX droplets are generated passively at a flow focusing junction, in a continuous phase of PEG and carboxylated particles, using weak hydrostatic pressure to drive the flow. As DEX droplets travel inside the microfluidic device, carboxylated particles partition to the interface of the droplets. The number of particles partitioning to the interface of droplets increases as the droplets migrate downstream in the microchannel. As a result, the DEX droplets become stabilized against coalescence. We study the coverage and stability of the DEX droplets further downstream inside a reservoir, by changing the carboxylated particle concentration and the particle size. We anticipate that particle-stabilized water-in-water emulsions may have important biotechnological applications, due to their intrinsic biocompatibility compared to traditional particle-stabilized water-in-oil emulsions, for example for cell encapsulation.

Synchrotron In-Situ Aging Study and Correlations to the γ' Phase Instabilities in a High-Refractory Content γ-γ' Ni-Base Superalloy

NASA Astrophysics Data System (ADS)

Antonov, Stoichko; Sun, Eugene; Tin, Sammy

2018-06-01

Detailed ex-situ electron microscopy and atom probe tomography (APT) were combined with in-situ synchrotron diffraction to systematically quantify the chemical, morphological, and lattice instabilities that occur during aging of a polycrystalline high-refractory content Ni-base superalloy. The morphological changes and splitting phenomenon associated with the secondary γ' precipitates were related to a combination of discrete chemical composition variations at the secondary γ'/γ interfaces and additional chemical energy arising from γ precipitates that form within the secondary γ' particles. The compositional phase inhomogeneities led to the precipitation of finely dispersed tertiary γ' particles within the γ matrix and secondary γ particles within the secondary γ' precipitates, which, along with surface grooving of the secondary γ' particles, likely due to a spike in the lattice misfit at the particle interfaces, contributed to the splitting of the precipitates during aging.

The Wannabee Culture: Why No-One Does What They Used To.

ERIC Educational Resources Information Center

Dixon, Anne

1998-01-01

Electronic publishing has been an agent for change in not just how one publishes but in what one publishes. Describes HyperCite, a joint project with the Institution of Electrical Engineers (IEE) to create INSPEC database. Highlights include the database; the research phase (cross database searching and new interface); and what and how much was…

Microstructure formation in partially melted zone during gas tungsten arc welding of AZ91 Mg cast alloy

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

Zhu Tianping; Chen, Zhan W.; Gao Wei

2008-11-15

During gas tungsten arc (GTA) welding of AZ91 Mg cast alloy, constitutional liquid forms locally in the original interdendritic regions in the partially melted zone (PMZ). The PMZ re-solidification behaviour has not been well understood. In this study, the gradual change of the re-solidification microstructure within PMZ from base metal side to weld metal side was characterised. High cooling rate experiments using Gleeble thermal simulator were also conducted to understand the morphological change of the {alpha}-Mg/{beta}-Mg{sub 17}Al{sub 12} phase interface formed during re-solidification after partial melting. It was found that the original partially divorced eutectic structure has become a moremore » regular eutectic phase in most of the PMZ, although close to the fusion boundary the re-solidified eutectic is again a divorced one. Proceeding the eutectic re-solidification, if the degree of partial melting is sufficiently high, {alpha}-Mg re-solidified with a cellular growth, resulting in a serrated interface between {alpha}-Mg and {alpha}-Mg/{beta}-Mg{sub 17}Al{sub 12} in the weld sample and between {alpha}-Mg and {beta}-Mg{sub 17}Al{sub 12} (fully divorced eutectic) in Gleeble samples. The morphological changes affected by the peak temperature and cooling rate are also explained.« less

Big and small: menisci in soil pores affect water pressures, dynamics of groundwater levels, and catchment-scale average matric potentials

NASA Astrophysics Data System (ADS)

de Rooij, G. H.

2010-09-01

Soil water is confined behind the menisci of its water-air interface. Catchment-scale fluxes (groundwater recharge, evaporation, transpiration, precipitation, etc.) affect the matric potential, and thereby the interface curvature and the configuration of the phases. In turn, these affect the fluxes (except precipitation), creating feedbacks between pore-scale and catchment-scale processes. Tracking pore-scale processes beyond the Darcy scale is not feasible. Instead, for a simplified system based on the classical Darcy's Law and Laplace-Young Law we i) clarify how menisci transfer pressure from the atmosphere to the soil water, ii) examine large-scale phenomena arising from pore-scale processes, and iii) analyze the relationship between average meniscus curvature and average matric potential. In stagnant water, changing the gravitational potential or the curvature of the air-water interface changes the pressure throughout the water. Adding small amounts of water can thus profoundly affect water pressures in a much larger volume. The pressure-regulating effect of the interface curvature showcases the meniscus as a pressure port that transfers the atmospheric pressure to the water with an offset directly proportional to its curvature. This property causes an extremely rapid rise of phreatic levels in soils once the capillary fringe extends to the soil surface and the menisci flatten. For large bodies of subsurface water, the curvature and vertical position of any meniscus quantify the uniform hydraulic potential under hydrostatic equilibrium. During unit-gradient flow, the matric potential corresponding to the mean curvature of the menisci should provide a good approximation of the intrinsic phase average of the matric potential.

Adaptive Phase Delay Generator

NASA Technical Reports Server (NTRS)

Greer, Lawrence

2013-01-01

There are several experimental setups involving rotating machinery that require some form of synchronization. The adaptive phase delay generator (APDG) the Bencic-1000 is a flexible instrument that allows the user to generate pulses synchronized to the rising edge of a tachometer signal from any piece of rotating machinery. These synchronized pulses can vary by the delay angle, pulse width, number of pulses per period, number of skipped pulses, and total number of pulses. Due to the design of the pulse generator, any and all of these parameters can be changed independently, yielding an unparalleled level of versatility. There are two user interfaces to the APDG. The first is a LabVIEW program that has the advantage of displaying all of the pulse parameters and input signal data within one neatly organized window on the PC monitor. Furthermore, the LabVIEW interface plots the rpm of the two input signal channels in real time. The second user interface is a handheld portable device that goes anywhere a computer is not accessible. It consists of a liquid-crystal display and keypad, which enable the user to control the unit by scrolling through a host of command menus and parameter listings. The APDG combines all of the desired synchronization control into one unit. The experimenter can adjust the delay, pulse width, pulse count, number of skipped pulses, and produce a specified number of pulses per revolution. Each of these parameters can be changed independently, providing an unparalleled level of versatility when synchronizing hardware to a host of rotating machinery. The APDG allows experimenters to set up quickly and generate a host of synchronizing configurations using a simple user interface, which hopefully leads to faster results.

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.

Modeling the thickness dependence of the magnetic phase transition temperature in thin FeRh films

NASA Astrophysics Data System (ADS)

Ostler, Thomas Andrew; Barton, Craig; Thomson, Thomas; Hrkac, Gino

2017-02-01

FeRh and its first-order phase transition can open new routes for magnetic hybrid materials and devices under the assumption that it can be exploited in ultra-thin-film structures. Motivated by experimental measurements showing an unexpected increase in the phase transition temperature with decreasing thickness of FeRh on top of MgO, we develop a computational model to investigate strain effects of FeRh in such magnetic structures. Our theoretical results show that the presence of the MgO interface results in a strain that changes the magnetic configuration which drives the anomalous behavior.

Nanoscale thermal transport. II. 2003-2012

NASA Astrophysics Data System (ADS)

Cahill, David G.; Braun, Paul V.; Chen, Gang; Clarke, David R.; Fan, Shanhui; Goodson, Kenneth E.; Keblinski, Pawel; King, William P.; Mahan, Gerald D.; Majumdar, Arun; Maris, Humphrey J.; Phillpot, Simon R.; Pop, Eric; Shi, Li

2014-03-01

A diverse spectrum of technology drivers such as improved thermal barriers, higher efficiency thermoelectric energy conversion, phase-change memory, heat-assisted magnetic recording, thermal management of nanoscale electronics, and nanoparticles for thermal medical therapies are motivating studies of the applied physics of thermal transport at the nanoscale. This review emphasizes developments in experiment, theory, and computation in the past ten years and summarizes the present status of the field. Interfaces become increasingly important on small length scales. Research during the past decade has extended studies of interfaces between simple metals and inorganic crystals to interfaces with molecular materials and liquids with systematic control of interface chemistry and physics. At separations on the order of ˜ 1 nm , the science of radiative transport through nanoscale gaps overlaps with thermal conduction by the coupling of electronic and vibrational excitations across weakly bonded or rough interfaces between materials. Major advances in the physics of phonons include first principles calculation of the phonon lifetimes of simple crystals and application of the predicted scattering rates in parameter-free calculations of the thermal conductivity. Progress in the control of thermal transport at the nanoscale is critical to continued advances in the density of information that can be stored in phase change memory devices and new generations of magnetic storage that will use highly localized heat sources to reduce the coercivity of magnetic media. Ultralow thermal conductivity—thermal conductivity below the conventionally predicted minimum thermal conductivity—has been observed in nanolaminates and disordered crystals with strong anisotropy. Advances in metrology by time-domain thermoreflectance have made measurements of the thermal conductivity of a thin layer with micron-scale spatial resolution relatively routine. Scanning thermal microscopy and thermal analysis using proximal probes has achieved spatial resolution of 10 nm, temperature precision of 50 mK, sensitivity to heat flows of 10 pW, and the capability for thermal analysis of sub-femtogram samples.

Dynamics of rigid microparticles at the interface of co-flowing immiscible liquids in a microchannel.

PubMed

Jayaprakash, K S; Banerjee, U; Sen, A K

2017-05-01

We report the dynamical migration behavior of rigid polystyrene microparticles at an interface of co-flowing streams of primary CP 1 (aqueous) and secondary CP 2 (oils) immiscible phases at low Reynolds numbers (Re) in a microchannel. The microparticles initially suspended in the CP 1 either continue to flow in the bulk CP 1 or migrate across the interface into CP 2 , when the stream width of the CP 1 approaches the diameter of the microparticles. Experiments were performed with different secondary phases and it is found that the migration criterion depends on the sign of the spreading parameter S and the presence of surfactant at the interface. To substantiate the migration criterion, experiments were also carried out by suspending the microparticles in CP 2 (oil phase). Our study reveals that in case of aqueous-silicone oil combination, the microparticles get attached to the interface since S<0 and the three phase contact angle, θ>90°. For complete detachment of microparticles from the interface into the secondary phase, additional energy ΔG is needed. We discuss the role of interfacial perturbation, which causes detachment of microparticles from the interface. In case of mineral and olive oils, the surfactants present at the interface prevents attachment of the microparticles to the interface due to the repulsive disjoining pressure. Finally, using a aqueous-silicone oil system, we demonstrate size based sorting of microparticles of size 25μm and 15μm respectively from that of 15μm and 10μm and study the variation of separation efficiency η with the ratio of the width of the aqueous stream to the diameter of the microparticles ρ. Copyright © 2017 Elsevier Inc. All rights reserved.

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.

Towards building a robust computational framework to simulate multi-physics problems - a solution technique for three-phase (gas-liquid-solid) interactions

NASA Astrophysics Data System (ADS)

Zhang, Lucy

In this talk, we show a robust numerical framework to model and simulate gas-liquid-solid three-phase flows. The overall algorithm adopts a non-boundary-fitted approach that avoids frequent mesh-updating procedures by defining independent meshes and explicit interfacial points to represent each phase. In this framework, we couple the immersed finite element method (IFEM) and the connectivity-free front tracking (CFFT) method that model fluid-solid and gas-liquid interactions, respectively, for the three-phase models. The CFFT is used here to simulate gas-liquid multi-fluid flows that uses explicit interfacial points to represent the gas-liquid interface and for its easy handling of interface topology changes. Instead of defining different levels simultaneously as used in level sets, an indicator function naturally couples the two methods together to represent and track each of the three phases. Several 2-D and 3-D testing cases are performed to demonstrate the robustness and capability of the coupled numerical framework in dealing with complex three-phase problems, in particular free surfaces interacting with deformable solids. The solution technique offers accuracy and stability, which provides a means to simulate various engineering applications. The author would like to acknowledge the supports from NIH/DHHS R01-2R01DC005642-10A1 and the National Natural Science Foundation of China (NSFC) 11550110185.

Modeling of Bulk Evaporation and Condensation

NASA Technical Reports Server (NTRS)

Anghaie, S.; Ding, Z.

1996-01-01

This report describes the modeling and mathematical formulation of the bulk evaporation and condensation involved in liquid-vapor phase change processes. An internal energy formulation, for these phase change processes that occur under the constraint of constant volume, was studied. Compared to the enthalpy formulation, the internal energy formulation has a more concise and compact form. The velocity and time scales of the interface movement were obtained through scaling analysis and verified by performing detailed numerical experiments. The convection effect induced by the density change was analyzed and found to be negligible compared to the conduction effect. Two iterative methods for updating the value of the vapor phase fraction, the energy based (E-based) and temperature based (T-based) methods, were investigated. Numerical experiments revealed that for the evaporation and condensation problems the E-based method is superior to the T-based method in terms of computational efficiency. The internal energy formulation and the E-based method were used to compute the bulk evaporation and condensation processes under different conditions. The evolution of the phase change processes was investigated. This work provided a basis for the modeling of thermal performance of multi-phase nuclear fuel elements under variable gravity conditions, in which the buoyancy convection due to gravity effects and internal heating are involved.

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

Kazyak, Eric; Chen, Kuan-Hung; Wood, Kevin N.

Lithium solid electrolytes are a promising platform for achieving high energy density, long-lasting, and safe rechargeable batteries, which could have widespread societal impact. In particular, the ceramic oxide garnet Li7La3Zr2O12 (LLZO) has been shown to be a promising electrolyte due to its stability and high ionic conductivity. Two major challenges for commercialization are manufacturing of thin layers and creating stable, low-impedance, interfaces with both anode and cathode materials. Atomic Layer Deposition (ALD) has recently been shown as a potential method for depositing both solid electrolytes and interfacial layers to improve the stability and performance at electrode-electrolyte interfaces in battery systems.more » Herein we present the first reported ALD process for LLZO, demonstrating the ability to tune composition within the amorphous film and anneal to achieve the desired cubic garnet phase. Formation of the cubic phase was observed at temperatures as low as 555°C, significantly lower than is required for bulk processing. Additionally, challenges associated with achieving a dense garnet phase due to substrate reactivity, morphology changes and Li loss under the necessary high temperature annealing are quantified via in situ synchrotron diffraction.« less

μX-ray fluorescence analysis of traces and calcium phosphate phases on tooth tartar interfaces using synchrotron radiation

NASA Astrophysics Data System (ADS)

Abraham, J. A.; Grenón, M. S.; Sánchez, H. J.; Valentinuzzi, M. C.; Perez, C. A.

2007-07-01

Hard dental tissues like dentine and cementum with calcified deposits (dental calculi) were studied in several human dental pieces of adult individuals from the same geographic region. A couple of cross cuts were performed at dental root level resulting in a planar slice with calculus and dental tissue exposed for analysis. The elemental content along a linear path crossing the dentine-cementum-tartar interfaces and also all over a surface was measured by X-ray fluorescence microanalysis using synchrotron radiation (μSRXRF). The concentration of elemental traces like K, V, Cu, Zn, As, Br and Sr showed different features on the analyzed regions. The possible connections with the dynamic of mineralization and biological implications are discussed. The concentrations of major elements Ca and P were also determined and the measured Ca/P molar ratio was used to estimate the average composition of calcium phosphate phases in the measured points. A deeper knowledge of the variations of the elemental compositions and the changes of the different phases will help to a better understanding of the scarcely known mechanism of calculus growing.

Modification of structure and pattern of lipid monolayer on water and solid surfaces in presence of globular protein

NASA Astrophysics Data System (ADS)

Sah, Bijay Kumar; Kundu, Sarathi

2017-05-01

Langmuir monolayers of phospholipids at the air-water interface are well-established model systems for mimicking biological membranes and hence are useful for studying lipid-protein interactions. In the present work, phases and phase transformations occurring in the lipid (DMPA) monolayer in the presence of globular protein (BSA) at neutral subphase pH (≈7.0) are highlighted and the corresponding in-plane pattern and morphology are explored from the surface pressure (π) - specific molecular area (A) isotherm, Brewster angle microscopy (BAM) and atomic force microscopy (AFM) both at air-water and air-solid interfaces. Films of pure lipid and lipid-protein complexes are deposited on solid surfaces by Langmuir-Blodgett method. Due to the presence of BSA molecules, phases and domain pattern changes in comparison with that of the pure DMPA. Moreover, accumulations of globular proteins in between lipid domains are also visible through BAM. AFM shows that the mixed film has relatively bigger globular-like morphology in comparison with that of pure DMPA domains. Combination of electrostatic and hydrophobic interactions between protein and lipid are responsible for such modifications.

Microstructure and High Temperature Mechanical Property of Fe-Cr-B Based Metal/Ceramic Composite Manufactured by Metal Injection Molding Process

NASA Astrophysics Data System (ADS)

Lee, Kee-Ahn; Gwon, Jin-Han; Yoon, Tae-Sik

2018-03-01

This study investigated the microstructure and the room and high temperature mechanical properties of Fe-Cr-B alloy manufactured by metal injection molding. In addition, hot isostatic pressing was performed to increase the density of the material, and a comparison of properties was made. Microstructural observation confirmed a bi-continuous structure composed of a three-dimensional network of α-Fe phase and (Cr,Fe)2B phase. The HIPed specimen featured a well-formed adhesion between the α-Fe phase and boride, and the number of fine pores was significantly reduced. The tensile results confirmed that the HIPed specimen (RT to 900 °C) had higher strengths compared to the as-sintered specimen, and the change of elongation starting from 700 °C was significantly greater in the HIPed specimen. Fractography suggested that cracks propagated mostly along the interface between the α-Fe matrix and boride in the as-sintered specimen, while direct fracture of boride was observed in addition to interface separation in the HIPed specimen.

Phase transitions of amorphous solid acetone in confined geometry investigated by reflection absorption infrared spectroscopy.

PubMed

Shin, Sunghwan; Kang, Hani; Kim, Jun Soo; Kang, Heon

2014-11-26

We investigated the phase transformations of amorphous solid acetone under confined geometry by preparing acetone films trapped in amorphous solid water (ASW) or CCl4. Reflection absorption infrared spectroscopy (RAIRS) and temperature-programmed desorption (TPD) were used to monitor the phase changes of the acetone sample with increasing temperature. An acetone film trapped in ASW shows an abrupt change in the RAIRS features of the acetone vibrational bands during heating from 80 to 100 K, which indicates the transformation of amorphous solid acetone to a molecularly aligned crystalline phase. Further heating of the sample to 140 K produces an isotropic solid phase, and eventually a fluid phase near 157 K, at which the acetone sample is probably trapped in a pressurized, superheated condition inside the ASW matrix. Inside a CCl4 matrix, amorphous solid acetone crystallizes into a different, isotropic structure at ca. 90 K. We propose that the molecularly aligned crystalline phase formed in ASW is created by heterogeneous nucleation at the acetone-water interface, with resultant crystal growth, whereas the isotropic crystalline phase in CCl4 is formed by homogeneous crystal growth starting from the bulk region of the acetone sample.

Interface mobility and the liquid-glass transition in a one-component system described by an embedded atom method potential

NASA Astrophysics Data System (ADS)

Mendelev, M. I.; Schmalian, J.; Wang, C. Z.; Morris, J. R.; Ho, K. M.

2006-09-01

We present molecular dynamics (MD) studies of the liquid structure, thermodynamics, and dynamics in a one-component system described by the Ercolessi-Adams embedded atom method potential for Al. We find two distinct noncrystalline phases in this system. One of them is a liquid phase and the second phase has similar structure but different equation of state. Moreover, this phase has qualitatively different dynamics than that in the liquid phase. The transitions between these two noncrystalline phases can be seen during MD simulation. The hysteresis in this transition suggests that this is a first-order transition. This conclusion is strongly supported by simulations of the two phases that demonstrate that these phases may coexist with a well-defined interface. We find the coexistent temperature and the interface mobility. Finally, we discuss how these results can be explained using modern models of vitrification.

Doping-Driven Wettability of Two-Dimensional Materials: A Multiscale Theory.

PubMed

Tian, Tian; Lin, Shangchao; Li, Siyu; Zhao, Lingling; Santos, Elton J G; Shih, Chih-Jen

2017-11-07

Engineering molecular interactions at two-dimensional (2D) materials interfaces enables new technological opportunities in functional surfaces and molecular epitaxy. Understanding the wettability of 2D materials represents the crucial first step toward quantifying the interplay between the interfacial forces and electric potential of 2D materials interfaces. Here we develop the first theoretical framework to model the wettability of the doped 2D materials by properly bridging the multiscale physical phenomena at the 2D interfaces, including (i) the change of 2D materials surface energy (atomistic scale, several angstroms), (ii) the molecular reorientation of liquid molecules adjacent to the interface (molecular scale, 10 0 -10 1 nm), and (iii) the electrical double layer (EDL) formed in the liquid phase (mesoscopic scales, 10 0 -10 4 nm). The latter two effects are found to be the major mechanisms responsible for the contact angle change upon doping, while the surface energy change of a pure 2D material has no net effect on the wetting property. When the doping level is electrostatically tuned, we demonstrate that 2D materials with high quantum capacitances (e.g., transition metal dichalcogenides, TMDCs) possess a wider range of tunability in the interfacial tension, under the same applied gate voltage. Furthermore, practical considerations such as defects and airborne contamination are also quantitatively discussed. Our analysis implies that the doping level can be another variable to modulate the wettability at 2D materials interfaces, as well as the molecular packing behavior on a 2D material-coated surface, essentially facilitating the interfacial engineering of 2D materials.

Solid-solid phase transformation via internal stress-induced virtual melting, significantly below the melting temperature. Application to HMX energetic crystal.

PubMed

Levitas, Valery I; Henson, Bryan F; Smilowitz, Laura B; Asay, Blaine W

2006-05-25

We theoretically predict a new phenomenon, namely, that a solid-solid phase transformation (PT) with a large transformation strain can occur via internal stress-induced virtual melting along the interface at temperatures significantly (more than 100 K) below the melting temperature. We show that the energy of elastic stresses, induced by transformation strain, increases the driving force for melting and reduces the melting temperature. Immediately after melting, stresses relax and the unstable melt solidifies. Fast solidification in a thin layer leads to nanoscale cracking which does not affect the thermodynamics or kinetics of the solid-solid transformation. Thus, virtual melting represents a new mechanism of solid-solid PT, stress relaxation, and loss of coherence at a moving solid-solid interface. It also removes the athermal interface friction and deletes the thermomechanical memory of preceding cycles of the direct-reverse transformation. It is also found that nonhydrostatic compressive internal stresses promote melting in contrast to hydrostatic pressure. Sixteen theoretical predictions are in qualitative and quantitative agreement with experiments conducted on the PTs in the energetic crystal HMX. In particular, (a) the energy of internal stresses is sufficient to reduce the melting temperature from 551 to 430 K for the delta phase during the beta --> delta PT and from 520 to 400 K for the beta phase during the delta --> beta PT; (b) predicted activation energies for direct and reverse PTs coincide with corresponding melting energies of the beta and delta phases and with the experimental values; (c) the temperature dependence of the rate constant is determined by the heat of fusion, for both direct and reverse PTs; results b and c are obtained both for overall kinetics and for interface propagation; (d) considerable nanocracking, homogeneously distributed in the transformed material, accompanies the PT, as predicted by theory; (e) the nanocracking does not change the PT thermodynamics or kinetics appreciably for the first and the second PT beta <--> delta cycles, as predicted by theory; (f) beta <--> delta PTs start at a very small driving force (in contrast to all known solid-solid transformations with large transformation strain), that is, elastic energy and athermal interface friction must be negligible; (g) beta --> alpha and alpha --> beta PTs, which are thermodynamically possible in the temperature range 382.4 < theta < 430 K and below 382.4 K, respectively, do not occur.

Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface- phase-field-crystal model.

PubMed

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2012-10-01

Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.

A modified Chang Brown model for the determination of the dopant distribution in a Bridgman Stockbarger semiconductor crystal growth system

NASA Astrophysics Data System (ADS)

Balint, A. M.; Mihailovici, M. M.; Bãltean, D. G.; Balint, St.

2001-08-01

In this paper, we start from the Chang-Brown model which allows computation of flow, temperature and dopant concentration in a vertical Bridgman-Stockbarger semiconductor growth system. The modifications made by us concern the melt/solid interface. Namely, we assume that the phase transition does not take place on a flat mathematical surface, but in a thin region (the so-called precrystallization-zone), masking the crystal, where both phases, liquid and solid, co-exist. We deduce for this zone new effective equations which govern flow, heat and dopant transport and make the coupling of these equations with those governing the same phenomena in the pure melt. We compute flow, temperature and dopant concentration for crystal and melt with thermophysical properties similar to gallium-doped germanium using the modified Chang-Brown model and compare the results to those obtained using the Chang-Brown model.

Numerical Modeling of Liquid-Vapor Phase Change

NASA Technical Reports Server (NTRS)

Esmaeeli, Asghar; Arpaci, Vedat S.

2001-01-01

We implemented a two- and three-dimensional finite difference/front tracking technique to solve liquid-vapor phase change problems. The mathematical and the numerical features of the method were explained in great detail in our previous reports, Briefly, we used a single formula representation which incorporated jump conditions into the governing equations. The interfacial terms were distributed as singular terms using delta functions so that the governing equations would be the same as conventional conservation equations away from the interface and in the vicinity of the interface they would provide correct jump conditions. We used a fixed staggered grid to discretize these equations and an unstructured grid to explicitly track the front. While in two dimensions the front was simply a connection of small line segments, in three dimensions it was represented by a connection of small triangular elements. The equations were written in conservative forms and during the course of computations we used regriding to control the size of the elements of the unstructured grid. Moreover, we implemented a coalescence in two dimensions which allowed the merging of different fronts or two segments of the same front when they were sufficiently close. We used our code to study thermocapillary migration of bubbles, burst of bubbles at a free surface, buoyancy-driven interactions of bubbles, evaporation of drops, rapid evaporation of an interface, planar solidification of an undercooled melt, dendritic solidification, and a host of other problems cited in the reference.

Nonequilibrium Thermodynamics of Hydrate Growth on a Gas-Liquid Interface.

PubMed

Fu, Xiaojing; Cueto-Felgueroso, Luis; Juanes, Ruben

2018-04-06

We develop a continuum-scale phase-field model to study gas-liquid-hydrate systems far from thermodynamic equilibrium. We design a Gibbs free energy functional for methane-water mixtures that recovers the isobaric temperature-composition phase diagram under thermodynamic equilibrium conditions. The proposed free energy is incorporated into a phase-field model to study the dynamics of hydrate formation on a gas-liquid interface. We elucidate the role of initial aqueous concentration in determining the direction of hydrate growth at the interface, in agreement with experimental observations. Our model also reveals two stages of hydrate growth at an interface-controlled by a crossover in how methane is supplied from the gas and liquid phases-which could explain the persistence of gas conduits in hydrate-bearing sediments and other nonequilibrium phenomena commonly observed in natural methane hydrate systems.

Engineering the Interfaces of Superadsorbing Graphene-Based Electrodes with Gas and Electrolyte to Boost Gas Evolution and Activation Reactions.

PubMed

Zhang, Jun-Jun; Lv, Li-Bing; Zhao, Tian-Jian; Lin, Yun-Xiao; Yu, Qiu-Ying; Su, Juan; Hirano, Shin-Ichi; Li, Xin-Hao; Chen, Jie-Sheng

2018-05-30

Electrochemical gas evolution and activation reactions are complicated processes, involving not only active electrocatalysts but also the interaction among solid electrodes, electrolyte, and gas-phase products and reactants. In this study, multiphase interfaces of superadsorbing graphene-based electrodes were controlled without changing the active centers to significantly facilitate mass diffusion kinetics for superior performance. The achieved in-depth understanding of how to regulate the interfacial properties to promote the electrochemical performance could provide valuable clues for electrode manufacture and for the design of more active electrocatalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phase autowaves in the near-electrode layer in the electrochemical cell with a magnetic fluid

NASA Astrophysics Data System (ADS)

Chekanov, V. V.; Kandaurova, N. V.; Chekanov, V. S.

2017-06-01

A change in color of the thin pellicle when light is reflected from the surface of the magnetic fluid at the interface with the transparent electrode in the electric field was observed. The formation of variable thickness near-electrode layer leads to a change in the spectrum of the reflected light depending on the applied voltage. Autowaves, that were observed in the layer are a unique object for the study of self-organization process.

A Ghost Fluid/Level Set Method for boiling flows and liquid evaporation: Application to the Leidenfrost effect

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

Rueda Villegas, Lucia; Alis, Romain; Lepilliez, Mathieu

2016-07-01

The development of numerical methods for the direct numerical simulation of two-phase flows with phase change, in the framework of interface capturing or interface tracking methods, is the main topic of this study. We propose a novel numerical method, which allows dealing with both evaporation and boiling at the interface between a liquid and a gas. Indeed, in some specific situations involving very heterogeneous thermodynamic conditions at the interface, the distinction between boiling and evaporation is not always possible. For instance, it can occur for a Leidenfrost droplet; a water drop levitating above a hot plate whose temperature is muchmore » higher than the boiling temperature. In this case, boiling occurs in the film of saturated vapor which is entrapped between the bottom of the drop and the plate, whereas the top of the water droplet evaporates in contact of ambient air. The situation can also be ambiguous for a superheated droplet or at the contact line between a liquid and a hot wall whose temperature is higher than the saturation temperature of the liquid. In these situations, the interface temperature can locally reach the saturation temperature (boiling point), for instance near a contact line, and be cooler in other places. Thus, boiling and evaporation can occur simultaneously on different regions of the same liquid interface or occur successively at different times of the history of an evaporating droplet. Standard numerical methods are not able to perform computations in these transient regimes, therefore, we propose in this paper a novel numerical method to achieve this challenging task. Finally, we present several accuracy validations against theoretical solutions and experimental results to strengthen the relevance of this new method.« less

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

Mruetusatorn, Prachya; Boreyko, Jonathan B; Sarles, Stephen A

Droplet interface bilayers (DIBs) are a powerful platform for studying the dynamics of synthetic cellular membranes; however, very little has been done to exploit the unique dynamical features of DIBs. Here, we generate microscale droplet interface bilayers ( DIBs) by bringing together femtoliter-volume water droplets in a microfluidic oil channel, and characterize morphological changes of the DIBs as the droplets shrink due to evaporation. By varying the initial conditions of the system, we identify three distinct classes of dynamic morphology. (1) Buckling and Fission: When forming DIBs using the lipid-out method (lipids in oil phase), lipids in the shrinking monolayersmore » continually pair together and slide into the bilayer to conserve their mass. As the bilayer continues to grow, it becomes confined, buckles, and eventually fissions one or more vesicles. (2) Uniform Shrinking: When using the lipid-in method (lipids in water phase) to form DIBs, lipids uniformly transfer from the monolayers and bilayer into vesicles contained inside the water droplets. (3) Stretching and Unzipping: Finally, when the droplets are pinned to the wall(s) of the microfluidic channel, the droplets become stretched during evaporation, culminating in the unzipping of the bilayer and droplet separation. These findings offer a better understanding of the dynamics of coupled lipid interfaces.« less

Physics, mathematics and numerics of particle adsorption on fluid interfaces

NASA Astrophysics Data System (ADS)

Schmuck, Markus; Pavliotis, Grigorios A.; Kalliadasis, Serafim

2012-11-01

We study two arbitrary immiscible fuids where one phase contains small particles of the size of the interface and smaller. We primarily focus on charge-free particles with wetting characteristics described by the contact angle formed at the interface between the two phases and the particles. Based on the experimental observation that particles are adsorbed on the interface to reduce the interfacial energy and hence the surface tension as well, we formulate a free-energy functional that accounts for these physical effects. Using elements from calculus of variations and formal gradient flow theory, we derive partial differential equations describing the location of the interface and the density of the particles in the fluid phases. Via numerical experiments we analyse the time evolution of the surface tension, the particle concentration, and the free energy over time and reflect basic experimentally observed phenomena.

Electronic structure and switching behavior of the metastable silicene domain boundary

NASA Astrophysics Data System (ADS)

Oh, Youngtek; Cho, Yeonchoo; Kwon, Hyeokshin; Lee, Junsu; Jeon, Insu; Ko, Wonhee; Kim, Hyo Won; Ku, JiYeon; Kim, Gunn; Suh, Hwansoo; Hwang, Sung Woo

2017-06-01

Silicene, a silicon allotrope with a buckled honeycomb lattice, has been extensively studied in the search for materials with graphene-like properties. Here, we study the domain boundaries of a silicene 4 × 4 superstructure on an Ag(111) surface at the atomic resolution using scanning tunneling microscopy (STM) and spectroscopy (STS) along with density functional theory calculations. The silicene domain boundaries (β-phases) are formed at the interface between misaligned domains (α-phases) and show a bias dependence, forming protrusions or depressions as the sample bias changes. In particular, the STM topographs of the silicene-substrate system at a bias of ˜2.0 V show brightly protruding domain boundaries, which can be explained by an energy state originating from the Si 3s and 3pz orbitals. In addition, the topographs depicting the vicinity of the domain boundaries show that the structure does not follow the buckled geometry of the atomic ball-and-stick model. Inside the domain, STS data showed a step-up at ˜0.4 V, which originated from the Si 3p orbitals. We found this step-up to have shifted, which may be attributed to the strain effect at the interface regions between silver and silicene and between the domain and its boundary upon performing spatially resolved STS measurements. The metastable characteristic of the domain boundary (β-phase) causes changes, such as creation or annihilation, in the buckling structures (switching behavior). The observed low activation energy for the buckling change between distinct states may find applications in the electronic control of properties related to domain boundary structures in silicene.

Partial liquid-penetration inside a deep trench by film flowing over it

NASA Astrophysics Data System (ADS)

Nguyen, Phuc-Khanh; Dimakopoulos, Yiannis; Tsamopoulos, John

2014-11-01

Liquid film flow along substrates featuring a deep trench may not wet the trench floor, but create a second gas-liquid interface inside the trench. The liquid penetration inside the trench depends on the location and shape of this inner interface. The penetration increases by decreasing the two three-phase contact lines between the inner interface and the two side-walls or the flow rate and depends on the liquid properties. This partial-penetration is studied by employing the Galerkin / finite element method to solve the two-dimensional steady-state Navier-Stokes equations in a physical domain that is adaptively remeshed. Multiple branches of steady solutions connected via turning points are revealed by pseudo arc-length continuation. Flow hysteresis may occur in a certain range of liquid penetration depth, when the interaction of the two interfaces changes qualitatively. This induces an abrupt jump of penetration distance and deformation amplitude of the outer interface. Work supported by the General Secretariat of Research & Technology of Greece through the program ``Excellence'' (Grant No. 1918) in the framework ``Education and Lifelong Learning'' co-funded by the ESF.

Shock tube Multiphase Experiments

NASA Astrophysics Data System (ADS)

Middlebrooks, John; Allen, Roy; Paudel, Manoj; Young, Calvin; Musick, Ben; McFarland, Jacob

2017-11-01

Shock driven multiphase instabilities (SDMI) are unique physical phenomena that have far-reaching practical applications in engineering and science. The instability is present in high energy explosions, scramjet combustors, and supernovae events. The SDMI arises when a multiphase interface is impulsively accelerated by the passage of a shockwave. It is similar in development to the Richtmyer-Meshkov (RM) instability however, particle-to-gas coupling is the driving mechanism of the SDMI. As particle effects such as lag and phase change become more prominent, the SDMI's development begins to significantly deviate from the RM instability. We have developed an experiment for studying the SDMI in our shock tube facility. In our experiments, a multiphase interface is created using a laminar jet and flowed into the shock tube where it is accelerated by the passage of a planar shockwave. The interface development is captured using CCD cameras synchronized with planar laser illumination. This talk will give an overview of new experiments conducted to examine the development of a shocked cylindrical multiphase interface. The effects of Atwood number, particle size, and a second acceleration (reshock) of the interface will be discussed.

Contingency Contractor Optimization Phase 3 Sustainment Cost by JCA Implementation Guide

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

Durfee, Justin David; Frazier, Christopher Rawls; Arguello, Bryan

This document provides implementation guidance for implementing personnel group FTE costs by JCA Tier 1 or 2 categories in the Contingency Contractor Optimization Tool – Engineering Prototype (CCOT-P). CCOT-P currently only allows FTE costs by personnel group to differ by mission. Changes will need to be made to the user interface inputs pages and the database

Optical fingerprints of solid-liquid interfaces: a joint ATR-IR and first principles investigation

NASA Astrophysics Data System (ADS)

Yang, L.; Niu, F.; Tecklenburg, S.; Pander, M.; Nayak, S.; Erbe, A.; Wippermann, S.; Gygi, F.; Galli, G.

Despite the importance of understanding the structural and bonding properties of solid-liquid interfaces for a wide range of (photo-)electrochemical applications, there are presently no experimental techniques available to directly probe the microscopic structure of solid-liquid interfaces. To develop robust strategies to interpret experiments and validate theory, we carried out attenuated total internal reflection (ATR-IR) spectroscopy measurements and ab initio molecular dynamics (AIMD) simulations of the vibrational properties of interfaces between liquid water and well-controlled prototypical semiconductor substrates. We show the Ge(100)/H2O interface to feature a reversible potential-dependent surface phase transition between Ge-H and Ge-OH termination. The Si(100)/H2O interface is proposed as a model system for corrosion and oxidation processes. We performed AIMD calculations under finite electric fields, revealing different pathways for initial oxidation. These pathways are predicted to exhibit unique spectral signatures. A significant increase in surface specificity can be achieved utilizing an angle-dependent ATR-IR experiment, which allows to detect such signatures at the interfacial layer and consequently changes in the hydrogen bond network. Funding from DOE-BES Grant No. DE-SS0008939 and the Deutsche Forschungsgemeinschaft (RESOLV, EXC 1069) are gratefully acknowledged.

Simulating compressible-incompressible two-phase flows

NASA Astrophysics Data System (ADS)

Denner, Fabian; van Wachem, Berend

2017-11-01

Simulating compressible gas-liquid flows, e.g. air-water flows, presents considerable numerical issues and requires substantial computational resources, particularly because of the stiff equation of state for the liquid and the different Mach number regimes. Treating the liquid phase (low Mach number) as incompressible, yet concurrently considering the gas phase (high Mach number) as compressible, can improve the computational performance of such simulations significantly without sacrificing important physical mechanisms. A pressure-based algorithm for the simulation of two-phase flows is presented, in which a compressible and an incompressible fluid are separated by a sharp interface. The algorithm is based on a coupled finite-volume framework, discretised in conservative form, with a compressive VOF method to represent the interface. The bulk phases are coupled via a novel acoustically-conservative interface discretisation method that retains the acoustic properties of the compressible phase and does not require a Riemann solver. Representative test cases are presented to scrutinize the proposed algorithm, including the reflection of acoustic waves at the compressible-incompressible interface, shock-drop interaction and gas-liquid flows with surface tension. Financial support from the EPSRC (Grant EP/M021556/1) is gratefully acknowledged.

Multiphase mean curvature flows with high mobility contrasts: A phase-field approach, with applications to nanowires

NASA Astrophysics Data System (ADS)

Bretin, Elie; Danescu, Alexandre; Penuelas, José; Masnou, Simon

2018-07-01

The structure of many multiphase systems is governed by an energy that penalizes the area of interfaces between phases weighted by surface tension coefficients. However, interface evolution laws depend also on interface mobility coefficients. Having in mind some applications where highly contrasted or even degenerate mobilities are involved, for which classical phase field models are inapplicable, we propose a new effective phase field approach to approximate multiphase mean curvature flows with mobilities. The key aspect of our model is to incorporate the mobilities not in the phase field energy (which is conventionally the case) but in the metric which determines the gradient flow. We show the consistency of such an approach by a formal analysis of the sharp interface limit. We also propose an efficient numerical scheme which allows us to illustrate the advantages of the model on various examples, as the wetting of droplets on solid surfaces or the simulation of nanowires growth generated by the so-called vapor-liquid-solid method.

Spontaneous supercurrent and φ0 phase shift parallel to magnetized topological insulator interfaces

NASA Astrophysics Data System (ADS)

Alidoust, Mohammad; Hamzehpour, Hossein

2017-10-01

Employing a Keldysh-Eilenberger technique, we theoretically study the generation of a spontaneous supercurrent and the appearance of the φ0 phase shift parallel to uniformly in-plane magnetized superconducting interfaces made of the surface states of a three-dimensional topological insulator. We consider two weakly coupled uniformly magnetized superconducting surfaces where a macroscopic phase difference between the s -wave superconductors can be controlled externally. We find that, depending on the magnetization strength and orientation on each side, a spontaneous supercurrent due to the φ0 states flows parallel to the interface at the nanojunction location. Our calculations demonstrate that nonsinusoidal phase relations of current components with opposite directions result in maximal spontaneous supercurrent at phase differences close to π . We also study the Andreev subgap channels at the interface and show that the spin-momentum locking phenomenon in the surface states can be uncovered through density of states studies. We finally discuss realistic experimental implications of our findings.

Shapes and dynamics of miscible liquid/liquid interfaces in horizontal capillary tubes.

PubMed

Stevar, M S P; Vorobev, A

2012-10-01

We report optical observations of the dissolution behaviour of glycerol/water, soybean oil/hexane, and isobutyric acid (IBA)/water binary mixtures within horizontal capillary tubes. Tubes with diameters as small as 0.2mm were initially filled with one component of the binary mixture (solute) and then immersed into a solvent-filled thermostatic bath. Both ends of the tubes were open, and no pressure difference was applied between the ends. In the case of glycerol/water and soybean oil/hexane mixtures, we managed to isolate the dissolution (the interfacial mass transfer) from the hydrodynamic motion. Two phase boundaries moving from the ends into the middle section of the tube with the speeds v∼D(1/3)t(-2/3)d(2) (D,t and d are the coefficient of diffusion, time and the diameter of the tube, respectively) were observed. The boundaries slowly smeared but their smearing occurred considerably slower than their motion. The motion of the phase boundaries cannot be explained by the dependency of the diffusion coefficient on concentration, and should be explained by the effect of barodiffusion. The shapes of the solute/solvent boundaries are defined by the balance between gravity and surface tension effects. The contact line moved together with the bulk interface: no visible solute remained on the walls after the interface passage. Changes in temperature and in the ratio between gravity and capillary forces altered the apparent contact angles. The IBA/water system had different behaviour. Below the critical (consolute) point, no dissolution was observed: IBA and water behaved like two immiscible liquids, with the IBA phase being displaced from the tube by capillary pressure (the spontaneous imbibition process). Above the critical point, two IBA/water interfaces could be identified, however the interfaces did not penetrate much into the tube. Copyright © 2012 Elsevier Inc. All rights reserved.

Plate-tectonic boundary formation by grain-damage and pinning

NASA Astrophysics Data System (ADS)

Bercovici, David

2015-04-01

Shear weakening in the lithosphere is an essential ingredient for understanding how and why plate tectonics is generated from mantle convection on terrestrial planets. I present continued work on a theoretical model for lithospheric shear-localization and plate generation through damage, grain evolution and Zener pinning in two-phase (polycrystalline) lithospheric rocks. Grain size evolves through the competition between coarsening, which drives grain-growth, with damage, which drives grain reduction. The interface between phases controls Zener pinning, which impedes grain growth. Damage to the interface enhances the Zener pinning effect, which then reduces grain-size, forcing the rheology into the grain-size-dependent diffusion creep regime. This process thus allows damage and rheological weakening to co-exist, providing a necessary shear-localizing feedback. Moreover, because pinning inhibits grain-growth it promotes shear-zone longevity and plate-boundary inheritance. This theory has been applied recently to the emergence of plate tectonics in the Archean by transient subduction and accumulation of plate boundaries over 1Gyr, as well as to rapid slab detachment and abrupt tectonic changes. New work explores the saturation of interface damage at low interface curvature (e.g., because it is associated with larger grains that take up more of the damage, and/or because interface area is reduced). This effect allows three possible equilibrium grain-sizes for a given stress; a small-grain-size high-shear state in diffusion creep, a large grain-size low shear state in dislocation creep, and an intermediate state (often near the deformation map phase-boundary). The low and high grain-size states are stable, while the intermediate one is unstable. This implies that a material deformed at a given stress can acquire two stable deformation regimes, a low- and high- shear state; these are indicative of plate-like flows, i.e, the coexistence of both slowly deforming plates and rapidly deforming plate boundaries.

Miscibility Gap Closure, Interface Morphology, and Phase Microstructure of 3D Li xFePO 4 Nanoparticles from Surface Wetting and Coherency Strain

DOE PAGES

Welland, Michael J.; Karpeyev, Dmitry; O’Connor, Devin T.; ...

2015-09-10

We study the mesoscopic effects which suppress phase-segregation in Li xFePO 4 nanoparticles using a multiphysics phase-field model implement on a high performance cluster. We simulate 3D spherical particles of radii from 3nm to 40nm and examine the equilibrium microstructure and voltage profiles as a they depend on size and overall lithiation. The model includes anisotropic, concentration-dependent elastic moduli, misfit strain, and facet dependent surface wetting within a Cahn-Hilliard formulation. Here, we find that the miscibility gap vanishes for particles of radius ~ 5 nm, and the solubility limits change with overall particle lithiation. The corresponding voltage plateau, indicative ofmore » phase-segregation, changes in extent and also vanishes. Surface wetting is found to have a strong effect on stabilizing a variety of microstructures, exaggerating the shifting of solubility limits, and shortening the voltage plateau.« less

Microstructural changes of a thermally aged stainless steel submerged arc weld overlay cladding of nuclear reactor pressure vessels

NASA Astrophysics Data System (ADS)

Takeuchi, T.; Kameda, J.; Nagai, Y.; Toyama, T.; Matsukawa, Y.; Nishiyama, Y.; Onizawa, K.

2012-06-01

The effect of thermal aging on microstructural changes in stainless steel submerged arc weld-overlay cladding of reactor pressure vessels was investigated using atom probe tomography (APT). In as-received materials subjected to post-welding heat treatments (PWHTs), with a subsequent furnace cooling, a slight fluctuation of the Cr concentration was observed due to spinodal decomposition in the δ-ferrite phase but not in the austenitic phase. Thermal aging at 400 °C for 10,000 h caused not only an increase in the amplitude of spinodal decomposition but also the precipitation of G phases with composition ratios of Ni:Si:Mn = 16:7:6 in the δ-ferrite phase. The degree of the spinodal decomposition in the submerged arc weld sample was similar to that in the electroslag weld one reported previously. We also observed a carbide on the γ-austenite and δ-ferrite interface. There were no Cr depleted zones around the carbide.

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.

Unique orientations and rotational dynamics of a 1-butyl-3-methyl-imidazolium hexafluorophosphate ionic liquid at the gas-liquid interface: the effects of the hydrogen bond and hydrophobic interactions.

PubMed

Yang, Deshuai; Fu, Fangjia; Li, Li; Yang, Zhen; Wan, Zheng; Luo, Yi; Hu, Na; Chen, Xiangshu; Zeng, Guixiang

2018-05-07

Here we report a series of molecular dynamics simulations for the orientations and rotational dynamics of the 1-butyl-3-methyl-imidazoliumhexafluorophosphate ([BMIM][PF 6 ]) ionic liquid (IL) at the gas-liquid interface. Compared to the bulk phase, the [BMIM] + cations at the interface prefer to orientate themselves with their imidazolium rings perpendicular to the gas-IL interface plane and their butyl chains pointing toward the vacuum phase. Such a preferential orientation can be attributed to the combined effect of the hydrophobic interactions and the optimum loss of hydrogen bonds (HBs). More interestingly, our simulation results demonstrate that the butyl chains of cations exhibit a two-stage rotational behavior at the interface, where the butyl chains are always in the vacuum phase at the first stage and the second stage corresponds to the butyl chains migrating from the vacuum phase into the liquid phase. A further detailed analysis reveals that their rotational motions at the first stage are mainly determined by the weakened HB strength at the interface while those at the second stage are dominated by their hydrophobic interactions. Such a unique rotational behavior of the butyl chains is significantly different from those of the anions and the imidazolium rings of cations at the interface due to the lack of existence of hydrophobic interaction in the cases of the latter two. In addition, a new and simple time correlation function (TCF) was constructed here for the first time to quantitatively identify the relevant hydrophobic interaction of alkyl chains. Therefore, our simulation results provide a molecular-level understanding of the effects of HB and hydrophobic interactions on the unique properties of imidazolium-based ILs at the gas-liquid interface.

Visualizing the phenomena of wave interference, phase-shifting and polarization by interactive computer simulations

NASA Astrophysics Data System (ADS)

Rivera-Ortega, Uriel; Dirckx, Joris

2015-09-01

In this manuscript a computer based simulation is proposed for teaching concepts of interference of light (under the scheme of a Michelson interferometer), phase-shifting and polarization states. The user can change some parameters of the interfering waves, such as their amplitude and phase difference in order to graphically represent the polarization state of a simulated travelling wave. Regarding to the interference simulation, the user is able to change the wavelength and type of the interfering waves by selecting combinations between planar and Gaussian profiles, as well as the optical path difference by translating or tilting one of the two mirrors in the interferometer setup, all of this via a graphical user interface (GUI) designed in MATLAB. A theoretical introduction and simulation results for each phenomenon will be shown. Due to the simulation characteristics, this GUI can be a very good non-formal learning resource.

A study of the diffusional behavior of a two-phase metal matrix composite exposed to a high temperature environment

NASA Technical Reports Server (NTRS)

Tenney, D. R.

1974-01-01

The progress of diffusion-controlled filament-matrix interaction in a metal matrix composite where the filaments and matrix comprise a two-phase binary alloy system was studied by mathematically modeling compositional changes resulting from prolonged elevated temperature exposure. The analysis treats a finite, diffusion-controlled, two-phase moving-interface problem by means of a variable-grid finite-difference technique. The Ni-W system was selected as an example system. Modeling was carried out for the 1000 to 1200 C temperature range for unidirectional composites containing from 6 to 40 volume percent tungsten filaments in a Ni matrix. The results are displayed to show both the change in filament diameter and matrix composition as a function of exposure time. Compositional profiles produced between first and second nearest neighbor filaments were calculated by superposition of finite-difference solutions of the diffusion equations.

Stress Intensity of Delamination in a Sintered-Silver Interconnection: Preprint

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

DeVoto, D. J.; Paret, P. P.; Wereszczak, A. A.

2014-08-01

In automotive power electronics packages, conventional thermal interface materials such as greases, gels, and phase-change materials pose bottlenecks to heat removal and are also associated with reliability concerns. The industry trend is toward high thermal performance bonded interfaces for large-area attachments. However, because of coefficient of thermal expansion mismatches between materials/layers and resultant thermomechanical stresses, adhesive and cohesive fractures could occur, posing a reliability problem. These defects manifest themselves in increased thermal resistance. This research aims to investigate and improve the thermal performance and reliability of sintered-silver for power electronics packaging applications. This has been experimentally accomplished by the synthesismore » of large-area bonded interfaces between metalized substrates and copper base plates that have subsequently been subjected to thermal cycles. A finite element model of crack initiation and propagation in these bonded interfaces will allow for the interpretation of degradation rates by a crack-velocity (V)-stress intensity factor (K) analysis. A description of the experiment and the modeling approach are discussed.« less

Strain analysis of nanowire interfaces in multiscale composites

NASA Astrophysics Data System (ADS)

Malakooti, Mohammad H.; Zhou, Zhi; Spears, John H.; Shankwitz, Timothy J.; Sodano, Henry A.

2016-04-01

Recently, the reinforcement-matrix interface of fiber reinforced polymers has been modified through grafting nanostructures - particularly carbon nanotubes and ZnO nanowires - on to the fiber surface. This type of interface engineering has made a great impact on the development of multiscale composites that have high stiffness, interfacial strength, toughness, and vibrational damping - qualities that are mutually exclusive to a degree in most raw materials. Although the efficacy of such nanostructured interfaces has been established, the reinforcement mechanisms of these multiscale composites have not been explored. Here, strain transfer across a nanowire interphase is studied in order to gain a heightened understanding of the working principles of physical interface modification and the formation of a functional gradient. This problem is studied using a functionally graded piezoelectric interface composed of vertically aligned lead zirconate titanate nanowires, as their piezoelectric properties can be utilized to precisely control the strain on one side of the interface. The displacement and strain across the nanowire interface is captured using digital image correlation. It is demonstrated that the material gradient created through nanowires cause a smooth strain transfer from reinforcement phase into matrix phase that eliminates the stress concentration between these phases, which have highly mismatched elasticity.

A wide-band fiber optic frequency distribution system employing thermally controlled phase compensation

NASA Technical Reports Server (NTRS)

Johnson, Dean; Calhoun, Malcolm; Sydnor, Richard; Lutes, George

1993-01-01

An active wide-band fiber optic frequency distribution system employing a thermally controlled phase compensator to stabilize phase variations induced by environmental temperature changes is described. The distribution system utilizes bidirectional dual wavelength transmission to provide optical feedback of induced phase variations of 100 MHz signals propagating along the distribution cable. The phase compensation considered differs from earlier narrow-band phase compensation designs in that it uses a thermally controlled fiber delay coil rather than a VCO or phase modulation to compensate for induced phase variations. Two advantages of the wide-band system over earlier designs are (1) that it provides phase compensation for all transmitted frequencies, and (2) the compensation is applied after the optical interface rather than electronically ahead of it as in earlier schemes. Experimental results on the first prototype shows that the thermal stabilizer reduces phase variations and Allan deviation by a factor of forty over an equivalent uncompensated fiber optic distribution system.

A quantitative study of factors influencing lamellar eutectic morphology during solidification

NASA Technical Reports Server (NTRS)

Kaukler, W. F. S.

1981-01-01

The factors that influence the shape of the solid-liquid interface of a lamellar binary eutectic alloy are evaluated. Alloys of carbon tetrabromide and hexachloroethane which serve as a transparent analogue of lamellar metallic eutectics are used. The observed interface shapes are analyzed by computer-aided methods. The solid-liquid interfacial free energies of each of the individual phases comprising the eutectic system are measured as a function of composition using a 'grain boundary groove' technique. The solid-liquid interfacial free energy of the two phases are evaluated directly from the eutectic interface. The phase diagram for the system, the heat of fusion as a function of composition, and the density as a function of composition are measured. The shape of the eutectic interface is controlled mainly by the solid-liquid and solid-solid interfacial free energy relationships at the interface and by the temperature gradient present, rather than by interlamellar diffusion in the liquid at the interface, over the range of growth rates studied.

Digital Interface Board to Control Phase and Amplitude of Four Channels

NASA Technical Reports Server (NTRS)

Smith, Amy E.; Cook, Brian M.; Khan, Abdur R.; Lux, James P.

2011-01-01

An increasing number of parts are designed with digital control interfaces, including phase shifters and variable attenuators. When designing an antenna array in which each antenna has independent amplitude and phase control, the number of digital control lines that must be set simultaneously can grow very large. Use of a parallel interface would require separate line drivers, more parts, and thus additional failure points. A convenient form of control where single-phase shifters or attenuators could be set or the whole set could be programmed with an update rate of 100 Hz is needed to solve this problem. A digital interface board with a field-programmable gate array (FPGA) can simultaneously control an essentially arbitrary number of digital control lines with a serial command interface requiring only three wires. A small set of short, high-level commands provides a simple programming interface for an external controller. Parity bits are used to validate the control commands. Output timing is controlled within the FPGA to allow for rapid update rates of the phase shifters and attenuators. This technology has been used to set and monitor eight 5-bit control signals via a serial UART (universal asynchronous receiver/transmitter) interface. The digital interface board controls the phase and amplitude of the signals for each element in the array. A host computer running Agilent VEE sends commands via serial UART connection to a Xilinx VirtexII FPGA. The commands are decoded, and either outputs are set or telemetry data is sent back to the host computer describing the status and the current phase and amplitude settings. This technology is an integral part of a closed-loop system in which the angle of arrival of an X-band uplink signal is detected and the appropriate phase shifts are applied to the Ka-band downlink signal to electronically steer the array back in the direction of the uplink signal. It will also be used in the non-beam-steering case to compensate for phase shift variations through power amplifiers. The digital interface board can be used to set four 5-bit phase shifters and four 5-bit attenuators and monitor their current settings. Additionally, it is useful outside of the closed-loop system for beamsteering alone. When the VEE program is started, it prompts the user to initialize variables (to zero) or skip initialization. After that, the program enters into a continuous loop waiting for the telemetry period to elapse or a button to be pushed. A telemetry request is sent when the telemetry period is elapsed (every five seconds). Pushing one of the set or reset buttons will send the appropriate command. When a command is sent, the interface status is returned, and the user will be notified by a pop-up window if any error has occurred. The program runs until the End Program button is depressed.

Effect of Trimethylamine N-Oxide on Interfacial Electrostatics at Phospholipid Monolayer-Water Interfaces and Its Relevance to Cardiovascular Disease.

PubMed

Mondal, Jahur A

2016-05-05

Trimethylamine N-oxide (TMAO), a metabolite of choline containing dietary nutrients which are abundant in red meat, egg, and other animal foods, increases the risk of cardiovascular disease (e.g., atherosclerosis) by boosted accumulation of fatty deposits on artery wall. Hence, for the molecular level elucidation of the pathogenesis of atherosclerosis, it is important to understand the effect of TMAO at the endothelial cell membrane-blood interface (artery wall). Heterodyne-detected vibrational sum frequency generation (HD-VSFG) study of a zwitterionic phosphatidylcholine (PC) lipid monolayer-water interface (mimic of endothelial membrane-blood interface) shows that the interfacial water becomes increasingly H-up oriented in the presence of TMAO in the aqueous phase, revealing a dramatic change in the interfacial electrostatics. Examinations of charged lipid interfaces show that TMAO screens anionic phosphate less effectively than cationic choline, which confirms that TMAO increases the relative influence of the anionic phosphate by preferential screening of the cationic choline at the zwitterionic PC lipid interface where the phosphate and choline groups are simultaneously present. Together, it is conceivable that at an elevated TMAO level in serum would modify the electrostatics at the endothelial cell membrane-blood interface (artery wall), which may affect the influx/efflux of fatty deposits on artery wall, setting the stage for atherosclerosis.

Cyclic motion encoding for enhanced MR visualization of slip interfaces.

PubMed

Mariappan, Yogesh K; Glaser, Kevin J; Manduca, Armando; Ehman, Richard L

2009-10-01

To develop and test a magnetic resonance imaging-based method for assessing the mechanical shear connectivity across tissue interfaces with phantom experiments and in vivo feasibility studies. External vibrations were applied to phantoms and tissue and the differential motion on either side of interfaces within the media was mapped onto the phase of the MR images using cyclic motion encoding gradients. The phase variations within the voxels of functional slip interfaces reduced the net magnitude signal in those regions, thus enhancing their visualization. A simple two-compartment model was developed to relate this signal loss to the intravoxel phase variations. In vivo studies of the abdomen and forearm were performed to visualize slip interfaces in healthy volunteers. The phantom experiments demonstrated that the proposed technique can assess the functionality of shear slip interfaces and they provided experimental validation for the theoretical model developed. Studies of the abdomen showed that the slip interface between the small bowel and the peritoneal wall can be visualized. In the forearm, this technique was able to depict the slip interfaces between the functional compartments of the extrinsic forearm muscles. Functional shear slip interfaces can be visualized sensitively using cyclic motion encoding of externally applied tissue vibrations. (c) 2009 Wiley-Liss, Inc.

Microstructure and property of directionally solidified Ni-Si hypereutectic alloy

NASA Astrophysics Data System (ADS)

Cui, Chunjuan; Tian, Lulu; Zhang, Jun; Yu, Shengnan; Liu, Lin; Fu, Hengzhi

2016-03-01

This paper investigates the influence of the solidification rate on the microstructure, solid/liquid interface, and micro-hardness of the directionally solidified Ni-Si hypereutectic alloy. Microstructure of the Ni-Si hypereutectic alloy is refined with the increase of the solidification rate. The Ni-Si hypereutectic composite is mainly composed of α-Ni matrix, Ni-Ni3Si eutectic phase, and metastable Ni31Si12 phase. The solid/liquid interface always keeps planar interface no matter how high the solidification rate is increased. This is proved by the calculation in terms of M-S interface stability criterion. Moreover, the Ni-Si hypereutectic composites present higher micro-hardness as compared with that of the pure Ni3Si compound. This is caused by the formation of the metastable Ni31Si12 phase and NiSi phase during the directional solidification process.

Line active hybrid lipids determine domain size in phase separation of saturated and unsaturated lipids.

PubMed

Brewster, Robert; Safran, Samuel A

2010-03-17

A simple model of the line activity of a hybrid lipid (e.g., POPC) with one fully saturated chain and one partially unsaturated chain demonstrates that these lipids preferentially pack at curved interfaces between phase-separated saturated and unsaturated domains. We predict that the domain sizes typically range from tens to hundreds of nm, depending on molecular interactions and parameters such as molecular volume and area per headgroup in the bulk fluid phase. The role of cholesterol is taken into account by an effective change in the headgroup areas and the domain sizes are predicted to increase with cholesterol concentration. Copyright 2010 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Structural changes in a commercial lithium-ion battery during electrochemical cycling: An in situ neutron diffraction study

NASA Astrophysics Data System (ADS)

Sharma, Neeraj; Peterson, Vanessa K.; Elcombe, Margaret M.; Avdeev, Maxim; Studer, Andrew J.; Blagojevic, Ned; Yusoff, Rozila; Kamarulzaman, Norlida

The structural response to electrochemical cycling of the components within a commercial Li-ion battery (LiCoO 2 cathode, graphite anode) is shown through in situ neutron diffraction. Lithuim insertion and extraction is observed in both the cathode and anode. In particular, reversible Li incorporation into both layered and spinel-type LiCoO 2 phases that comprise the cathode is shown and each of these components features several phase transitions attributed to Li content and correlated with the state-of-charge of the battery. At the anode, a constant cell voltage correlates with a stable lithiated graphite phase. Transformation to de-lithiated graphite at the discharged state is characterised by a sharp decrease in both structural cell parameters and cell voltage. In the charged state, a two-phase region exists and is composed of the lithiated graphite phase and about 64% LiC 6. It is postulated that trapping Li in the solid|electrolyte interface layer results in minimal structural changes to the lithiated graphite anode across the constant cell voltage regions of the electrochemical cycle.

Interaction of ordinary Portland cement and Opalinus Clay: Dual porosity modelling compared to experimental data

NASA Astrophysics Data System (ADS)

Jenni, A.; Gimmi, T.; Alt-Epping, P.; Mäder, U.; Cloet, V.

2017-06-01

Interactions between concrete and clays are driven by the strong chemical gradients in pore water and involve mineral reactions in both materials. In the context of a radioactive waste repository, these reactions may influence safety-relevant clay properties such as swelling pressure, permeability or radionuclide retention. Interfaces between ordinary Portland cement and Opalinus Clay show weaker, but more extensive chemical disturbance compared to a contact between low-pH cement and Opalinus Clay. As a consequence of chemical reactions porosity changes occur at cement-clay interfaces. These changes are stronger and may lead to complete pore clogging in the case of low-pH cements. The prediction of pore clogging by reactive transport simulations is very sensitive to the magnitude of diffusive solute fluxes, cement clinker chemistry, and phase reaction kinetics. For instance, the consideration of anion-depleted porosity in clays substantially influences overall diffusion and pore clogging at interfaces. A new concept of dual porosity modelling approximating Donnan equilibrium is developed and applied to an ordinary Portland cement - Opalinus Clay interface. The model predictions are compared with data from the cement-clay interaction (CI) field experiment in the Mt Terri underground rock laboratory (Switzerland), which represent 5 y of interaction. The main observations such as the decalcification of the cement at the interface, the Mg enrichment in the clay detached from the interface, and the S enrichment in the cement detached from the interface, are qualitatively predicted by the new model approach. The model results reveal multiple coupled processes that create the observed features. The quantitative agreement of modelled and measured data can be improved if uncertainties of key input parameters (tortuosities, reaction kinetics, especially of clay minerals) can be reduced.

Strain-induced phase and oxygen-vacancy stability in ionic interfaces from first-principles calculations

DOE PAGES

Aidhy, Dilpuneet S.; Liu, Bin; Zhang, Yanwen; ...

2014-12-03

Understanding interfacial chemistry is becoming crucial in materials design for heterointerfaces. Using density functional theory, we elucidate the effect of strained interfaces on phase and oxygen-vacancy stability for CeO2 | ZrO2, ThO2 | ZrO2 and CeO2 | ThO2 interfaces. The calculations show that ZrO2 transforms from cubic fluorite to the orthorhombic columbite under tensile strain providing evidence of a previous experimental speculation of an unrecognized ZrO2 phase. We also show that oxygen vacancies could be preferably stabilized on either side of the interface by manipulating strain. We predict that they are stable in tensile-strain, and unstable in compressivestrained materials.

Electronic structures at the interface between CuPc and black phosphorus

NASA Astrophysics Data System (ADS)

Wang, Can; Niu, Dongmei; Xie, Haipeng; Liu, Baoxing; Wang, Shitan; Zhu, Menglong; Gao, Yongli

2017-08-01

The electronic structure at the organic-inorganic semiconductor interface of π -conjugated copper phthalocyanine (CuPc) on a black phosphorus (BP) crystal surface is studied with photoemission spectroscopy and density functional theory calculations. From the photoemission spectra, we observe a shift of about 0.7 eV for the highest occupied molecular orbital, which originates from the transition of phase in the organic molecular thin film (from the interface phase to the bulk phase). On the other hand, we find 0.2 eV band bending at the CuPc/BP interface while the formation of an interface dipole is very small. According to our photoemission spectrum and theoretical simulation, we also define that the interaction between CuPc and BP is physisorption via van der Waals forces, rather than chemisorption. Our results provide a fundamental understanding of CuPc/BP interfacial interactions that could be important for future two-dimensional organic/inorganic heterostructure devices.

Particles at fluid-fluid interfaces: A new Navier-Stokes-Cahn-Hilliard surface-phase-field-crystal model

PubMed Central

Aland, Sebastian; Lowengrub, John; Voigt, Axel

2013-01-01

Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid. PMID:23214691

Effect of Isothermal Hold on the Microstructural Evolution of the Stainless Steel 304L/Zircaloy-4 Interface

NASA Astrophysics Data System (ADS)

Lebaili, A.; Taouinet, M.; Nibou, D.; Lebaili, S.; Hodaj, F.

2017-07-01

The transition from solid-state bonding of the stainless steel 304L/Zircaloy-4 diffusion couple to a partial liquid-phase bonding is important for the bonding process at temperatures ranging from 950 to 1050 °C. In this study, the temperature at which a melting process occurs at the interface after 45 min of isothermal holdings is determined experimentally. This melting process leads to a drastic change in the thickness of the reaction products zone (RPZ) as well as on its microstructure. Diffusion couples were characterized by SEM-EDS, and quantitative chemical analyses of different phases are performed by EPMA. The RPZ consists of three layers: the (α-Fe-Cr) phase layer and two layers consisting of Zr(Fe,Cr)2 (ɛ), Zr2(Fe,Ni) and (α-Zr) phases. The thickness of these layers strongly depends on the holding temperature. The analysis allowed the description of the physicochemical phenomena occurring during isothermal holding as well as during cooling. The solidification paths are determined at 1000, 1020 and 1050 °C. Hardness tests are performed on the bonded samples in order to qualify the mechanical properties of different phases of the RPZ. This study leads to a better understanding of the complex phenomena intervening in the joining process which is very useful for applications in industrial scale.

Degradation and rearrangement of a lung surfactant lipid at the air-water interface during exposure to the pollutant gas ozone.

PubMed

Thompson, Katherine C; Jones, Stephanie H; Rennie, Adrian R; King, Martin D; Ward, Andrew D; Hughes, Brian R; Lucas, Claire O M; Campbell, Richard A; Hughes, Arwel V

2013-04-09

The presence of unsaturated lipids in lung surfactant is important for proper respiratory function. In this work, we have used neutron reflection and surface pressure measurements to study the reaction of the ubiquitous pollutant gas-phase ozone, O3, with pure and mixed phospholipid monolayers at the air-water interface. The results reveal that the reaction of the unsaturated lipid 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, POPC, with ozone leads to the rapid loss of the terminal C9 portion of the oleoyl strand of POPC from the air-water interface. The loss of the C9 portion from the interface is accompanied by an increase in the surface pressure (decrease in surface tension) of the film at the air-water interface. The results suggest that the portion of the oxidized oleoyl strand that is still attached to the lipid headgroup rapidly reverses its orientation and penetrates the air-water interface alongside the original headgroup, thus increasing the surface pressure. The reaction of POPC with ozone also leads to a loss of material from the palmitoyl strand, but the loss of palmitoyl material occurs after the loss of the terminal C9 portion from the oleoyl strand of the molecule, suggesting that the palmitoyl material is lost in a secondary reaction step. Further experiments studying the reaction of mixed monolayers composed of unsaturated lipid POPC and saturated lipid dipalmitoyl-sn-glycero-3-phosphocholine, DPPC, revealed that no loss of DPPC from the air-water interface occurs, eliminating the possibility that a reactive species such as an OH radical is formed and is able to attack nearby lipid chains. The reaction of ozone with the mixed films does cause a significant change in the surface pressure of the air-water interface. Thus, the reaction of unsaturated lipids in lung surfactant changes and impairs the physical properties of the film at the air-water interface.

Onset of phase separation in the double perovskite oxide La 2 MnNiO 6

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

Spurgeon, Steven R.; Sushko, Peter V.; Devaraj, Arun

2018-04-01

Identification of kinetic and thermodynamic factors that control crystal nucleation and growth represents a central challenge in materials synthesis. Here we report that apparently defect-free growth of La2MnNiO6 (LMNO) thin films supported on SrTiO3 (STO) proceeds up to 1–5 nm, after which it is disrupted by precipitation of NiO phases. Local geometric phase analysis and ensemble-averaged x-ray reciprocal space mapping show no change in the film strain away from the interface, indicating that mechanisms other than strain relaxation induce the formation of the NiO phases. Ab initio simulations suggest that the electrostatic potential build-up associated with the polarity mismatch atmore » the film-substrate interface promotes the formation of oxygen vacancies with increasing thickness. In turn, oxygen deficiency promotes the formation of Ni-rich regions, which points to the built-in potential as an additional factor that contributes to the NiO precipitation mechanisms. These results suggest that the precipitate-free region could be extended further by either incorporating dopants that suppress the built-in potential or by increasing the oxygen fugacity in order to suppress the formation of oxygen vacancies.« less

Final Report, Fundamental Mechanisms of Transient States in Materials Quantified by DTEM

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

Campbell, G. H.; McKeown, J. T.

At the project’s inception, there was growing evidence that the time domain for in situ observations of material evolution held great promise for allowing measurements to be made in never previously contemplated regimes. Also, central to the development of the project was the knowledge that phase transformations are of central importance to the development of materials microstructure and hence properties. We addressed this opportunity by developing a transmission electron microscope that could be operated in the pulsed mode (DTEM), with exposure times down to 20 ns and interframe times down to 20 ns in the nine-frame movie mode, designed withmore » the intent of performing in situ experiments. This unprecedented capability allowed us to investigate structural phase transformations, intermetallic formation reactions, crystallization from the amorphous phase, rapid solidification of liquid metals, transformations in phase change materials, and catalyst nanoparticles. The ability of the electron microscope to create images with high spatial resolution allows for the accurate measurement of position. Common to all of the transformations mentioned above is the presence of a distinct interface between the old phase and the growing new phase. Measuring the position of the interface as a function of time, combined with the ability to count nucleation sites as a function of time, allowed for the exceptionally accurate measure of transformation kinetics. These measurements were used to guide and constrain the development of models and simulation methods for the classes of transformations studied.« less

Advanced Strategic and Tactical Relay Request Management for the Mars Relay Operations Service

NASA Technical Reports Server (NTRS)

Allard, Daniel A.; Wallick, Michael N.; Gladden, Roy E.; Wang, Paul; Hy, Franklin H.

2013-01-01

This software provides a new set of capabilities for the Mars Relay Operations Service (MaROS) in support of Strategic and Tactical relay, including a highly interactive relay request Web user interface, mission control over relay planning time periods, and mission management of allowed strategic vs. tactical request parameters. Together, these new capabilities expand the scope of the system to include all elements critical for Tactical relay operations. Planning of replay activities spans a time period that is split into two distinct phases. The first phase is called Strategic, which begins at the time that relay opportunities are identified, and concludes at the point that the orbiter generates the flight sequences for on board execution. Any relay request changes from this point on are called Tactical. Tactical requests, otherwise called Orbit - er Relay State Changes (ORSC), are highly restricted in terms of what types of changes can be made, and the types of parameters that can be changed may differ from one orbiter to the next. For example, one orbiter may be able to delay the start of a relay request, while another may not. The legacy approach to ORSC management involves exchanges of e-mail with "requests for change" and "acknowledgement of approval," with no other tracking of changes outside of e-mail folders. MaROS Phases 1 and 2 provided the infrastructure for strategic relay for all supported missions. This new version, 3.0, introduces several capabilities that fully expand the scope of the system to include tactical relay. One new feature allows orbiter users to manage and "lock" Planning Periods, which allows the orbiter team to formalize the changeover from Strategic to Tactical operations. Another major feature allows users to interactively submit tactical request changes via a Web user interface. A third new feature allows orbiter missions to specify allowed tactical updates, which are automatically incorporated into the tactical change process. This software update is significant in that it provides the only centralized service for tactical request management available for relay missions.

Phase transformations at interfaces: Observations from atomistic modeling

DOE PAGES

Frolov, T.; Asta, M.; Mishin, Y.

2016-10-01

Here, we review the recent progress in theoretical understanding and atomistic computer simulations of phase transformations in materials interfaces, focusing on grain boundaries (GBs) in metallic systems. Recently developed simulation approaches enable the search and structural characterization of GB phases in single-component metals and binary alloys, calculation of thermodynamic properties of individual GB phases, and modeling of the effect of the GB phase transformations on GB kinetics. Atomistic simulations demonstrate that the GB transformations can be induced by varying the temperature, loading the GB with point defects, or varying the amount of solute segregation. The atomic-level understanding obtained from suchmore » simulations can provide input for further development of thermodynamics theories and continuous models of interface phase transformations while simultaneously serving as a testing ground for validation of theories and models. They can also help interpret and guide experimental work in this field.« less

Energy Storage Requirements & Challenges for Ground Vehicles

DTIC Science & Technology

2010-03-18

Titinate Evaluation Cell Evaluation Battery Aging Phenomenon Battery SOC/SOH Determination Modeling ARM 100 LiIon APU Lion Cell Evaluation Cell...Advanced Batteries Fuels Th er m al Ma na ge m en t Radiators Heat Recovery Thermal Interface Materials Phase Change Cooling Advanced Electronics...in all energy storage Energy Storage Team Mission Battery Technology Evaluation Lab Module Test & Eval Cell Test & Eval 6UNCLASSIFIED Pacing Vehicle

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

NASA Astrophysics Data System (ADS)

Dahms, Rainer N.

2016-04-01

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized which determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.

Influence of phase transformation on stress evolution during growth of metal thin films on silicon.

PubMed

Fillon, A; Abadias, G; Michel, A; Jaouen, C; Villechaise, P

2010-03-05

In situ stress measurements during two-dimensional growth of low mobility metal films on amorphous Si were used to demonstrate the impact of interface reactivity and phase transformation on stress evolution. Using Mo1-xSix films as examples, the results show that the tensile stress rise, which develops after the film has become crystalline, is correlated with an increase in lateral grain size. The origin of the tensile stress is attributed to the volume change resulting from the alloy crystallization, which occurs at a concentration-dependent critical thickness.

Attachment of composite porous supra-particles to air-water and oil-water interfaces: theory and experiment.

PubMed

Paunov, Vesselin N; Al-Shehri, Hamza; Horozov, Tommy S

2016-09-29

We developed and tested a theoretical model for the attachment of fluid-infused porous supra-particles to a fluid-liquid interface. We considered the wetting behaviour of agglomerated clusters of particles, typical of powdered materials dispersed in a liquid, as well as of the adsorption of liquid-infused colloidosomes at the liquid-fluid interface. The free energy of attachment of a composite spherical porous supra-particle made from much smaller aggregated spherical particles to the oil-water interface was calculated. Two cases were considered: (i) a water-filled porous supra-particle adsorbed at the oil-water interface from the water phase, and, (ii) an oil-filled porous supra-particle adsorbed at the oil-water interface from the oil-phase. We derived equations relating the three-phase contact angle of the smaller "building block" particles and the contact angle of the liquid-infused porous supra-particles. The theory predicts that the porous supra-particle contact angle attached at the liquid interface strongly depends on the type of fluid infused in the particle pores and the fluid phase from which it approaches the liquid interface. We tested the theory by using millimetre-sized porous supra-particles fabricated by evaporation of droplets of polystyrene latex suspension on a pre-heated super-hydrophobic surface, followed by thermal annealing at the glass transition temperature. Such porous particles were initially infused with water or oil and approached to the oil-water interface from the infusing phase. The experiment showed that when attaching at the hexadecane-water interface, the porous supra-particles behaved as hydrophilic when they were pre-filled with water and hydrophobic when they were pre-filled with hexadecane. The results agree with the theoretically predicted contact angles for the porous composite supra-particles based on the values of the contact angles of their building block latex particles measured with the Gel Trapping Technique. The experimental data for the attachment of porous supra particles to the air-water interface from both air and water also agree with the theoretical model. This study gives important insights about how porous particles and particle aggregates attach to the oil-water interface in Pickering emulsions and the air-water surface in particle-stabilised aqueous foams relevant in ore flotation and a range of cosmetic, pharmaceutical, food, home and personal care formulations.

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.

From atomistic interfaces to dendritic patterns

NASA Astrophysics Data System (ADS)

Galenko, P. K.; Alexandrov, D. V.

2018-01-01

Transport processes around phase interfaces, together with thermodynamic properties and kinetic phenomena, control the formation of dendritic patterns. Using the thermodynamic and kinetic data of phase interfaces obtained on the atomic scale, one can analyse the formation of a single dendrite and the growth of a dendritic ensemble. This is the result of recent progress in theoretical methods and computational algorithms calculated using powerful computer clusters. Great benefits can be attained from the development of micro-, meso- and macro-levels of analysis when investigating the dynamics of interfaces, interpreting experimental data and designing the macrostructure of samples. The review and research articles in this theme issue cover the spectrum of scales (from nano- to macro-length scales) in order to exhibit recently developing trends in the theoretical analysis and computational modelling of dendrite pattern formation. Atomistic modelling, the flow effect on interface dynamics, the transition from diffusion-limited to thermally controlled growth existing at a considerable driving force, two-phase (mushy) layer formation, the growth of eutectic dendrites, the formation of a secondary dendritic network due to coalescence, computational methods, including boundary integral and phase-field methods, and experimental tests for theoretical models-all these themes are highlighted in the present issue. This article is part of the theme issue `From atomistic interfaces to dendritic patterns'.

The liquid⟷amorphous transition and the high pressure phase diagram of carbon

NASA Astrophysics Data System (ADS)

Robinson, David R.; Wilson, Mark

2013-04-01

The phase diagram of carbon is mapped to high pressure using a computationally-tractable potential model. The use of a relatively simple (Tersoff-II) potential model allows a large range of phase space to be explored. The coexistence (melting) curve for the diamond crystal/liquid dyad is mapped directly by modelling the solid/liquid interfaces. The melting curve is found to be re-entrant and belongs to a conformal class of diamond/liquid coexistence curves. On supercooling the liquid a phase transition to a tetrahedral amorphous form (ta-C) is observed. The liquid ⟷ amorphous coexistence curve is mapped onto the pT plane and is found to also be re-entrant. The entropy changes for both melting and the amorphous ⟶ liquid transitions are obtained from the respective coexistence curves and the associated changes in molar volume. The structural change on amorphization is analysed at different points on the coexistence curve including for transitions that are both isochoric and isocoordinate (no change in nearest-neighbour coordination number). The conformal nature of the melting curve is highlighted with respect to the known behaviour of Si. The relationship of the observed liquid/amorphous coexistence curve to the Si low- and high-density amorphous (LDA/HDA) transition is discussed.

Thin Interface Asymptotics for an Energy/Entropy Approach to Phase-Field Models with Unequal Conductivities

NASA Technical Reports Server (NTRS)

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

1999-01-01

Karma and Rapped recently developed a new sharp interface asymptotic analysis of the phase-field equations that is especially appropriate for modeling dendritic growth at low undercoolings. Their approach relieves a stringent restriction on the interface thickness that applies in the conventional asymptotic analysis, and has the added advantage that interfacial kinetic effects can also be eliminated. However, their analysis focussed on the case of equal thermal conductivities in the solid and liquid phases; when applied to a standard phase-field model with unequal conductivities, anomalous terms arise in the limiting forms of the boundary conditions for the interfacial temperature that are not present in conventional sharp-interface solidification models, as discussed further by Almgren. In this paper we apply their asymptotic methodology to a generalized phase-field model which is derived using a thermodynamically consistent approach that is based on independent entropy and internal energy gradient functionals that include double wells in both the entropy and internal energy densities. The additional degrees of freedom associated with the generalized phased-field equations can be chosen to eliminate the anomalous terms that arise for unequal conductivities.

Developing interface localized liquid dielectrophoresis for optical applications

NASA Astrophysics Data System (ADS)

McHale, Glen; Brown, Carl V.; Newton, Michael I.; Wells, Gary G.; Sampara, Naresh

2012-11-01

Electrowetting charges the solid-liquid interface to change the contact area of a droplet of a conducting liquid. It is a powerful technique used to create variable focus liquid lenses, electronic paper and other devices, but it depends upon ions within the liquid. Liquid dielectrophoresis (L-DEP) is a bulk force acting on the dipoles throughout a dielectric liquid and is not normally considered to be a localized effect acting at the interface between the liquid and a solid or other fluid. In this work, we show theoretically how non-uniform electric fields generated by interdigitated electrodes can effectively convert L-DEP into an interface localized form. We show that for droplets of sufficient thickness, the change in the cosine of the contact angle is proportional to the square of the applied voltage and so obeys a similar equation to that for electrowetting - this we call dielectrowetting. However, a major difference to electrowetting is that the strength of the effect is controlled by the electrode spacing and the liquid permittivity rather than the properties of an insulator in a sandwich structure. Experimentally, we show that that this dielectrowetting equation accurately describes the contact angle of a droplet of oil viewed across parallel interdigitated electrodes. Importantly, the induced spreading can be complete, such that contact angle saturation does not occur. We then show that for thin films, L-DEP can shape the liquid-air interface creating a spatially periodic wrinkle and that such a wrinkle can be used to create a voltage programmable phase diffraction grating.

Improved thermal lattice Boltzmann model for simulation of liquid-vapor phase change

NASA Astrophysics Data System (ADS)

Li, Qing; Zhou, P.; Yan, H. J.

2017-12-01

In this paper, an improved thermal lattice Boltzmann (LB) model is proposed for simulating liquid-vapor phase change, which is aimed at improving an existing thermal LB model for liquid-vapor phase change [S. Gong and P. Cheng, Int. J. Heat Mass Transfer 55, 4923 (2012), 10.1016/j.ijheatmasstransfer.2012.04.037]. First, we emphasize that the replacement of ∇ .(λ ∇ T ) /∇.(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) is an inappropriate treatment for diffuse interface modeling of liquid-vapor phase change. Furthermore, the error terms ∂t 0(T v ) +∇ .(T vv ) , which exist in the macroscopic temperature equation recovered from the previous model, are eliminated in the present model through a way that is consistent with the philosophy of the LB method. Moreover, the discrete effect of the source term is also eliminated in the present model. Numerical simulations are performed for droplet evaporation and bubble nucleation to validate the capability of the model for simulating liquid-vapor phase change. It is shown that the numerical results of the improved model agree well with those of a finite-difference scheme. Meanwhile, it is found that the replacement of ∇ .(λ ∇ T ) /∇ .(λ ∇ T ) ρ cV ρ cV with ∇ .(χ ∇ T ) leads to significant numerical errors and the error terms in the recovered macroscopic temperature equation also result in considerable errors.

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

PubMed

Li, B O; Liu, Yuan

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

Observation of giant exchange bias in bulk Mn{sub 50}Ni{sub 42}Sn{sub 8} Heusler alloy

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

Sharma, Jyoti; Suresh, K. G., E-mail: suresh@iitb.ac.in

2015-02-16

We report a giant exchange bias (EB) field of 3520 Oe in bulk Mn{sub 50}Ni{sub 42}Sn{sub 8} Heusler alloy. The low temperature magnetic state of the martensite phase has been studied by DC magnetization and AC susceptibility measurements. Frequency dependence of spin freezing temperature (T{sub f}) on critical slowing down relation and observation of memory effect in zero field cooling mode confirms the super spin glass (SSG) phase at low temperatures. Large EB is attributed to the strong exchange coupling between the SSG clusters formed by small regions of ferromagnetic order embedded in an antiferromagnetic (AFM) matrix. The temperature and coolingmore » field dependence of EB have been studied and related to the change in unidirectional anisotropy at SSG/AFM interface. The training effect also corroborates with the presence of frozen (SSG) moments at the interface and their role in EB.« less

The Mineral–Collagen Interface in Bone

PubMed Central

2015-01-01

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

Modeling and measuring non-Newtonian shear flows of soft interfaces

NASA Astrophysics Data System (ADS)

Lopez, Juan; Raghunandan, Aditya; Underhill, Patrick; Hirsa, Amir

2017-11-01

Soft interfaces of polymers, particles, and proteins between fluid phases are ubiquitous in industrial and natural processes. The flow response of such systems to deformation is often not linear, as one would expect for Newtonian interfaces. The resistance to (pure shear) flow of interfaces is generally characterized by a single intrinsic material property, the surface shear viscosity. Predicted shear responses of Newtonian interfaces have achieved consensus across a wide range of flow conditions and measurement devices, when the nonlinear hydrodynamic coupling to the bulk phase is correctly accounted for. However, predicting the flows of sheared non-Newtonian interfaces remains a challenge. Here, we introduce a computational model that incorporates a non-Newtonian constitutive equation for the sheared interface and properly accounts for the coupled interfacial and bulk phase flows. We compare predictions to experiments performed with a model phospholipid system, DPPC - the main constituent of mammalian lung surfactant. Densely packed films of DPPC are directly sheared in a knife-edge surface viscometer. Yield-stress and shear thinning behaviors are shown to be accurately captured across hydrodynamic regimes straddling the Stokes flow limit to inertia dominated flows. Supported by NASA Grant NNX13AQ22G.

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 difference in atomic and electronic structures in perovskite ABO3 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 Pr0.67Sr0.33MnO3 (PSMO) film on SrTiO3 (STO) substrate. The variations in out-of-plane lattice constant and BO6 octahedral rotation across the PSMO/STO interface strongly depend on the thickness of PSMO films. In the 12-nm film, a new interface-sensitive ferromagnetic polaronic insulator (FI’) phase is formed during the cubic-to-tetragonal phase transition of STO, apparently due to enhanced electron-phonon interaction and atomic disorder in the film.more » The transport properties of the FI’ phase in the 30-nm film are masked because of the reduced interfacial effect and smaller interface-to-volume ratio. This work demonstrates how thickness-dependent interfacial coupling leads to formation of the theoretically predicted novel ferromagnetic-polaronic insulator in systems, as illustrated in a new phase diagram, that are otherwise ferromagnetic metals (FM) in bulk form.« less

Scale separation for multi-scale modeling of free-surface and two-phase flows with the conservative sharp interface method

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

Han, L.H., E-mail: Luhui.Han@tum.de; Hu, X.Y., E-mail: Xiangyu.Hu@tum.de; Adams, N.A., E-mail: Nikolaus.Adams@tum.de

In this paper we present a scale separation approach for multi-scale modeling of free-surface and two-phase flows with complex interface evolution. By performing a stimulus-response operation on the level-set function representing the interface, separation of resolvable and non-resolvable interface scales is achieved efficiently. Uniform positive and negative shifts of the level-set function are used to determine non-resolvable interface structures. Non-resolved interface structures are separated from the resolved ones and can be treated by a mixing model or a Lagrangian-particle model in order to preserve mass. Resolved interface structures are treated by the conservative sharp-interface model. Since the proposed scale separationmore » approach does not rely on topological information, unlike in previous work, it can be implemented in a straightforward fashion into a given level set based interface model. A number of two- and three-dimensional numerical tests demonstrate that the proposed method is able to cope with complex interface variations accurately and significantly increases robustness against underresolved interface structures.« less

Highly efficient catalytic systems based on Pd-coated microbeads

NASA Astrophysics Data System (ADS)

Lim, Jin Hyun; Cho, Ahyoung; Lee, Seung Hwan; Park, Bumkyo; Kang, Dong Woo; Koo, Chong Min; Yu, Taekyung; Park, Bum Jun

2018-01-01

The efficiency of two prototype catalysis systems using palladium (Pd)-coated microparticles was investigated with regard to the recovery and recyclability of the catalytic particles. One such system was the interface-adsorption method, in which polymer particles coated with Pd nanoparticles strongly and irreversibly attach to the oil-water interface. Due to the irreversible adsorption of the catalytic particles to the interface, particle loss was completely prevented while mixing the aqueous solution and while collecting the products. The other system was based on the magnetic field-associated particle recovery method. The use of polymeric microparticles containing Pd nanoparticles and magnetite nanoparticles accelerated the sedimentation of the particles in the aqueous phase by applying a strong magnetic field, consequently suppressing drainage of the particles from the reactor along the product stream. Upon multiple runs of the catalytic reactions, it was found that conversion does not change significantly, demonstrating the excellent recyclability and performance efficiency in the catalytic processes.

Interfaces Charged by a Nonionic Surfactant.

PubMed

Lee, Joohyung; Zhou, Zhang-Lin; Behrens, Sven Holger

2018-05-24

Highly hydrophobic, water-insoluble nonionic surfactants are often considered irrelevant to the ionization of interfaces at which they adsorb, despite observations that suggest otherwise. In the present study, we provide unambiguous evidence for the participation of a water-insoluble surfactant in interfacial ionization by conducting electrophoresis experiments for surfactant-stabilized nonpolar oil droplets in aqueous continuous phase. It was found that the surfactant with amine headgroup positively charged the surface of oil suspended in aqueous continuous phase (oil/water interface), which is consistent with its basic nature. In nonpolar oil continuous phase, the same surfactant positively charged the surface of solid silica (solid/oil interface) which is often considered acidic. The latter observation is exactly opposite to what the traditional acid-base mechanism of surface charging would predict, most clearly suggesting the possibility for another charging mechanism.

Zak phase induced multiband waveguide by two-dimensional photonic crystals.

PubMed

Yang, Yuting; Xu, Tao; Xu, Yun Fei; Hang, Zhi Hong

2017-08-15

Interface states in photonic crystals provide efficient approaches to control the flow of light. Photonic Zak phase determines the bulk band properties of photonic crystals, and, by assembling two photonic crystals with different bulk band properties together, deterministic interface states can be realized. By translating each unit cell of a photonic crystal by half the lattice constant, another photonic crystal with identical common gaps but a different Zak phase at each photonic band can be created. By assembling these two photonic crystals together, multiband waveguide can thus be easily created and then experimentally characterized. Our experimental results have good agreement with numerical simulations, and the propagation properties of these measured interface states indicate that this new type of interface state will be a good candidate for future applications of optical communications.

Hybrid upwind discretization of nonlinear two-phase flow with gravity

NASA Astrophysics Data System (ADS)

Lee, S. H.; Efendiev, Y.; Tchelepi, H. A.

2015-08-01

Multiphase flow in porous media is described by coupled nonlinear mass conservation laws. For immiscible Darcy flow of multiple fluid phases, whereby capillary effects are negligible, the transport equations in the presence of viscous and buoyancy forces are highly nonlinear and hyperbolic. Numerical simulation of multiphase flow processes in heterogeneous formations requires the development of discretization and solution schemes that are able to handle the complex nonlinear dynamics, especially of the saturation evolution, in a reliable and computationally efficient manner. In reservoir simulation practice, single-point upwinding of the flux across an interface between two control volumes (cells) is performed for each fluid phase, whereby the upstream direction is based on the gradient of the phase-potential (pressure plus gravity head). This upwinding scheme, which we refer to as Phase-Potential Upwinding (PPU), is combined with implicit (backward-Euler) time discretization to obtain a Fully Implicit Method (FIM). Even though FIM suffers from numerical dispersion effects, it is widely used in practice. This is because of its unconditional stability and because it yields conservative, monotone numerical solutions. However, FIM is not unconditionally convergent. The convergence difficulties are particularly pronounced when the different immiscible fluid phases switch between co-current and counter-current states as a function of time, or (Newton) iteration. Whether the multiphase flow across an interface (between two control-volumes) is co-current, or counter-current, depends on the local balance between the viscous and buoyancy forces, and how the balance evolves in time. The sensitivity of PPU to small changes in the (local) pressure distribution exacerbates the problem. The common strategy to deal with these difficulties is to cut the timestep and try again. Here, we propose a Hybrid-Upwinding (HU) scheme for the phase fluxes, then HU is combined with implicit time discretization to yield a fully implicit method. In the HU scheme, the phase flux is divided into two parts based on the driving force. The viscous-driven and buoyancy-driven phase fluxes are upwinded differently. Specifically, the viscous flux, which is always co-current, is upwinded based on the direction of the total-velocity. The buoyancy-driven flux across an interface is always counter-current and is upwinded such that the heavier fluid goes downward and the lighter fluid goes upward. We analyze the properties of the Implicit Hybrid Upwinding (IHU) scheme. It is shown that IHU is locally conservative and produces monotone, physically-consistent numerical solutions. The IHU solutions show numerical diffusion levels that are slightly higher than those for standard FIM (i.e., implicit PPU). The primary advantage of the IHU scheme is that the numerical overall-flux of a fluid phase remains continuous and differentiable as the flow regime changes between co-current and counter-current conditions. This is in contrast to the standard phase-potential upwinding scheme, in which the overall fractional-flow (flux) function is non-differentiable across the boundary between co-current and counter-current flows.

Study on solid liquid interface heat transfer of PCM under simultaneous charging and discharging (SCD) in horizontal cylinder annulus

NASA Astrophysics Data System (ADS)

Omojaro, Adebola Peter; Breitkopf, Cornelia

2017-07-01

Heat transfer performance during the simultaneous charging and discharging (SCD) operation process for phase change materials (PCM) contained inside the annulus of concentric horizontal cylinder was investigated. In the experimental set-up, the PCM inside the annulus serves as the heat sink along with an externally imposed forced cooling air. The obtained time wise temperature profile was used to determine the effects of different heat fluxes and the imposed forced convection cooling on the melt fraction values and the transition shift time from the observed conduction to natural convection heat transfer patterns. Furthermore, non-dimensional analysis was presented for the heat transfer at the interface to enable generalizing the result. Comparison of the results show that the SCD operation mode establish the condition that enables much PCM phase transition time and thus longer time of large latent heat transfer effect than the Partial and non simultaneous operations. Analysis results show that the variation of the heat flux for the SCD mode did not change the dominance of the natural convection over conduction heat transfers in the PCM. However, it significantly influences the commencement/transition shift time and melting rate while higher heat fluxes yields melt fraction that was 38-63% more for investigated process time. Variation with different cooling air flow rate shows more influences on the melt fraction than on the mode of heat transfer occurring in the PCM during melting. Available non-SCD modes correlation was shown to be insufficient to accurately predict interface heat transfer for the SCD modes.

Food emulsions as delivery systems for flavor compounds: A review.

PubMed

Mao, Like; Roos, Yrjö H; Biliaderis, Costas G; Miao, Song

2017-10-13

Food flavor is an important attribute of quality food, and it largely determines consumer food preference. Many food products exist as emulsions or experience emulsification during processing, and therefore, a good understanding of flavor release from emulsions is essential to design food with desirable flavor characteristics. Emulsions are biphasic systems, where flavor compounds are partitioning into different phases, and the releases can be modulated through different ways. Emulsion ingredients, such as oils, emulsifiers, thickening agents, can interact with flavor compounds, thus modifying the thermodynamic behavior of flavor compounds. Emulsion structures, including droplet size and size distribution, viscosity, interface thickness, etc., can influence flavor component partition and their diffusion in the emulsions, resulting in different release kinetics. When emulsions are consumed in the mouth, both emulsion ingredients and structures undergo significant changes, resulting in different flavor perception. Special design of emulsion structures in the water phase, oil phase, and interface provides emulsions with great potential as delivery systems to control flavor release in wider applications. This review provides an overview of the current understanding of flavor release from emulsions, and how emulsions can behave as delivery systems for flavor compounds to better design novel food products with enhanced sensorial and nutritional attributes.

Comparing the catalytic oxidation of ethanol at the solid-gas and solid-liquid interfaces over size-controlled Pt nanoparticles: striking differences in kinetics and mechanism.

PubMed

Sapi, Andras; Liu, Fudong; Cai, Xiaojun; Thompson, Christopher M; Wang, Hailiang; An, Kwangjin; Krier, James M; Somorjai, Gabor A

2014-11-12

Pt nanoparticles with controlled size (2, 4, and 6 nm) are synthesized and tested in ethanol oxidation by molecular oxygen at 60 °C to acetaldehyde and carbon dioxide both in the gas and liquid phases. The turnover frequency of the reaction is ∼80 times faster, and the activation energy is ∼5 times higher at the gas-solid interface compared to the liquid-solid interface. The catalytic activity is highly dependent on the size of the Pt nanoparticles; however, the selectivity is not size sensitive. Acetaldehyde is the main product in both media, while twice as much carbon dioxide was observed in the gas phase compared to the liquid phase. Added water boosts the reaction in the liquid phase; however, it acts as an inhibitor in the gas phase. The more water vapor was added, the more carbon dioxide was formed in the gas phase, while the selectivity was not affected by the concentration of the water in the liquid phase. The differences in the reaction kinetics of the solid-gas and solid-liquid interfaces can be attributed to the molecular orientation deviation of the ethanol molecules on the Pt surface in the gas and liquid phases as evidenced by sum frequency generation vibrational spectroscopy.

Phase Separation from Electron Confinement at Oxide Interfaces

NASA Astrophysics Data System (ADS)

Scopigno, N.; Bucheli, D.; Caprara, S.; Biscaras, J.; Bergeal, N.; Lesueur, J.; Grilli, M.

2016-01-01

Oxide heterostructures are of great interest for both fundamental and applicative reasons. In particular, the two-dimensional electron gas at the LaAlO3/SrTiO3 or LaTiO3/SrTiO3 interfaces displays many different properties and functionalities. However, there are clear experimental indications that the interface electronic state is strongly inhomogeneous and therefore it is crucial to investigate possible intrinsic mechanisms underlying this inhomogeneity. Here, the electrostatic potential confining the electron gas at the interface is calculated self-consistently, finding that such confinement may induce phase separation, to avoid a thermodynamically unstable state with a negative compressibility. This provides a robust mechanism for the inhomogeneous character of these interfaces.

Spectroscopic studies of U(VI) sorption at the kaolinite-water interface. Final report

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

Thompson, H.A.; Parks, G.A.; Brown, G.E. Jr.

Efficient use of U as a resource and safe handling, recycling and disposal of U-containing wastes require an understanding of the factors controlling the fate of U, where fate refers to the destination of U, typically expressed as an environmental medium or a process phase. The sorption process constitutes a change in elemental fate. Partitioning of an element from solution to a solid phase, or sorption, can be divided into three broad categories: adsorption, surface precipitation, and absorption. Extended X-ray absorption fine structure (EXAFS), a type of X-ray absorption spectroscopy (XAS), offers the possibility for distinguishing among different modes ofmore » sorption by characterizing the atomic environment of the sorbing element. In this study, the authors use EXAFS to determine the structure of U(VI) sorption complexes at the kaolinite-water interface. In Chapter One, they present an overview of selected aspects of U structural chemistry as a basis for considering the structural environment of U at the solid-water interface. To evaluate the utility of XAS for characterization of the structural environment of U(VI) at the solid-water interface, they have carried out an in-depth analysis of XAS data from U(VI)-containing solid and solution model compounds, which they describe in Chapter Two. In Chapter three, they consider sorption of U by kaolinite as a means of effecting the removal of U from surface collection pond waters on the Rocky Flats Plant site in northern Colorado.« less

Heating of a fully saturated darcian half-space: Pressure generation, fluid expulsion, and phase change

USGS Publications Warehouse

Delaney, P.

1984-01-01

Analytical solutions are developed for the pressurization, expansion, and flow of one- and two-phase liquids during heating of fully saturated and hydraulically open Darcian half-spaces subjected to a step rise in temperature at its surface. For silicate materials, advective transfer is commonly unimportant in the liquid region; this is not always the case in the vapor region. Volume change is commonly more important than heat of vaporization in determining the position of the liquid-vapor interface, assuring that the temperatures cannot be determined independently of pressures. Pressure increases reach a maximum near the leading edge of the thermal front and penetrate well into the isothermal region of the body. Mass flux is insensitive to the hydraulic properties of the half-space. ?? 1984.

Ti-Sb-Te alloy: a candidate for fast and long-life phase-change memory.

PubMed

Xia, Mengjiao; Zhu, Min; Wang, Yuchan; Song, Zhitang; Rao, Feng; Wu, Liangcai; Cheng, Yan; Song, Sannian

2015-04-15

Phase-change memory (PCM) has great potential for numerous attractive applications on the premise of its high-device performances, which still need to be improved by employing a material with good overall phase-change properties. In respect to fast speed and high endurance, the Ti-Sb-Te alloy seems to be a promising candidate. Here, Ti-doped Sb2Te3 (TST) materials with different Ti concentrations have been systematically studied with the goal of finding the most suitable composition for PCM applications. The thermal stability of TST is improved dramatically with increasing Ti content. The small density change of T0.32Sb2Te3 (2.24%), further reduced to 1.37% for T0.56Sb2Te3, would greatly avoid the voids generated at phase-change layer/electrode interface in a PCM device. Meanwhile, the exponentially diminished grain size (from ∼200 nm to ∼12 nm), resulting from doping more and more Ti, enhances the adhesion between phase-change film and substrate. Tests of TST-based PCM cells have demonstrated a fast switching rate of ∼10 ns. Furthermore, because of the lower thermal conductivities of TST materials, compared with Sb2Te3-based PCM cells, T0.32Sb2Te3-based ones exhibit lower required pulse voltages for Reset operation, which largely decreases by ∼50% for T0.43Sb2Te3-based ones. Nevertheless, the operation voltages for T0.56Sb2Te3-based cells dramatically increase, which may be due to the phase separation after doping excessive Ti. Finally, considering the decreased resistance ratio, TixSb2Te3 alloy with x around 0.43 is proved to be a highly promising candidate for fast and long-life PCM applications.

User-centered development and testing of a monitoring system that provides feedback regarding physical functioning to elderly people

PubMed Central

Vermeulen, Joan; Neyens, Jacques CL; Spreeuwenberg, Marieke D; van Rossum, Erik; Sipers, Walther; Habets, Herbert; Hewson, David J; de Witte, Luc P

2013-01-01

Purpose To involve elderly people during the development of a mobile interface of a monitoring system that provides feedback to them regarding changes in physical functioning and to test the system in a pilot study. Methods and participants The iterative user-centered development process consisted of the following phases: (1) selection of user representatives; (2) analysis of users and their context; (3) identification of user requirements; (4) development of the interface; and (5) evaluation of the interface in the lab. Subsequently, the monitoring and feedback system was tested in a pilot study by five patients who were recruited via a geriatric outpatient clinic. Participants used a bathroom scale to monitor weight and balance, and a mobile phone to monitor physical activity on a daily basis for six weeks. Personalized feedback was provided via the interface of the mobile phone. Usability was evaluated on a scale from 1 to 7 using a modified version of the Post-Study System Usability Questionnaire (PSSUQ); higher scores indicated better usability. Interviews were conducted to gain insight into the experiences of the participants with the system. Results The developed interface uses colors, emoticons, and written and/or spoken text messages to provide daily feedback regarding (changes in) weight, balance, and physical activity. The participants rated the usability of the monitoring and feedback system with a mean score of 5.2 (standard deviation 0.90) on the modified PSSUQ. The interviews revealed that most participants liked using the system and appreciated that it signaled changes in their physical functioning. However, usability was negatively influenced by a few technical errors. Conclusion Involvement of elderly users during the development process resulted in an interface with good usability. However, the technical functioning of the monitoring system needs to be optimized before it can be used to support elderly people in their self-management. PMID:24039407

Crystal-melt interface mobility in bcc Fe: Linking molecular dynamics to phase-field and phase-field crystal modeling

NASA Astrophysics Data System (ADS)

Guerdane, M.; Berghoff, M.

2018-04-01

By combining molecular dynamics (MD) simulations with phase-field (PF) and phase-field crystal (PFC) modeling we study collision-controlled growth kinetics from the melt for pure Fe. The MD/PF comparison shows, on the one hand, that the PF model can be properly designed to reproduce quantitatively different aspects of the growth kinetics and anisotropy of planar and curved solid-liquid interfaces. On the other hand, this comparison demonstrates the ability of classical MD simulations to predict morphology and dynamics of moving curved interfaces up to a length scale of about 0.15 μ m . After mapping the MD model to the PF one, the latter permits to analyze the separate contribution of different anisotropies to the interface morphology. The MD/PFC agreement regarding the growth anisotropy and morphology extends the trend already observed for the here used PFC model in describing structural and elastic properties of bcc Fe.

A Fluorescence Recovery After Photobleaching (FRAP) Technique for the Measurement of Solute Transport Across Surfactant-Laden Interfaces

NASA Technical Reports Server (NTRS)

Browne, Edward P.; Hatton, T. Alan

1996-01-01

The technique of Fluorescence Recovery After Photobleaching (FRAP) has been applied to the measurement of interfacial transport in two-phase systems. FRAP exploits the loss of fluorescence exhibited by certain fluorophores when over-stimulated (photobleached), so that a two-phase system, originally at equilibrium, can be perturbed without disturbing the interface by strong light from an argon-ion laser and its recovery monitored by a microscope-mounted CCD camera as it relaxes to a new equilibrium. During this relaxation, the concentration profiles of the probe solute are measured on both sides of the interface as a function of time, yielding information about the transport characteristics of the system. To minimize the size of the meniscus between the two phases, a photolithography technique is used to selectively treat the glass walls of the cell in which the phases are contained. This allows concentration measurements to be made very close to the interface and increases the sensitivity of the FRAP technique.

Diffuse polymer interfaces in lobed nanoemulsions preserved in aqueous media.

PubMed

Kim, Ginam; Sousa, Alioscka; Meyers, Deborah; Shope, Marilyn; Libera, Matthew

2006-05-24

Using valence electron energy loss spectroscopy (EELS) in the cryo-scanning transmission electron microscopy (STEM), we found that the polymer-polymer interface in two-phase nanocolloids of polydimethyl siloxane (PDMS) and copolymer (methyl acrylate (MA)-methyl methacrylate (MMA)-vinyl acetate (VA)) preserved in water was diffuse despite the fact that equilibrium thermodynamics indicates it should only be on the order of a few nanometers. The diffuse interface is a result of the kinetic trapping of the copolymer within the PDMS phase, and this finding suggests new nonequilibrium pathways to control interfaces during the synthesis of multicomponent polymeric nanostructures.

Tempo and scale of biogenic effects on high-frequency acoustic propagation near the marine sediment-water interface in shallow water

NASA Astrophysics Data System (ADS)

Jumars, Peter

2003-04-01

Organisms have natural scales, such as lifetimes, body sizes, frequencies of movement to new locations, and residence times of material in digestive systems, and each scale has potential implications for acoustic effects. The effects of groups of organisms, like organisms themselves, aggregate in space and time. This review, including an assortment of unpublished information, examines examples of such aggregations, many of them documented acoustically. Light synchronizes many activities. Macroscopic animals forage primarily under cover of darkness. This phasing applies both to animals that extend appendages above the sediment-water interface and to animals that leave the seabed at night. Whereas their bottom-modifying activities are concentrated in nocturnal or crepuscular fashion, the bottom-modifying activities of the visual feeders follow a different phasing and often dominate the rate of change in acoustic backscatter from the interface. Light also acts through its effects on primary production, often concentrated in a very thin surficial layer atop the seabed. The supersaturation of oxygen does, and microbubble nucleation may, result. Where tidal velocities are large, light-set patterns are often tidally modulated. Activities of animals living below the seabed, however, remain a mystery, whose primary hope for solution is acoustic. [Work supported by ONR and DEPSCoR.

Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional

DOE PAGES

Liu, Zhen-Fei; Egger, David A.; Refaely-Abramson, Sivan; ...

2017-02-21

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. Here, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by constructionmore » captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, the both the level alignment and work function changes. This approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.« less

Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional

NASA Astrophysics Data System (ADS)

Liu, Zhen-Fei; Egger, David A.; Refaely-Abramson, Sivan; Kronik, Leeor; Neaton, Jeffrey B.

2017-03-01

The alignment of the frontier orbital energies of an adsorbed molecule with the substrate Fermi level at metal-organic interfaces is a fundamental observable of significant practical importance in nanoscience and beyond. Typical density functional theory calculations, especially those using local and semi-local functionals, often underestimate level alignment leading to inaccurate electronic structure and charge transport properties. In this work, we develop a new fully self-consistent predictive scheme to accurately compute level alignment at certain classes of complex heterogeneous molecule-metal interfaces based on optimally tuned range-separated hybrid functionals. Starting from a highly accurate description of the gas-phase electronic structure, our method by construction captures important nonlocal surface polarization effects via tuning of the long-range screened exchange in a range-separated hybrid in a non-empirical and system-specific manner. We implement this functional in a plane-wave code and apply it to several physisorbed and chemisorbed molecule-metal interface systems. Our results are in quantitative agreement with experiments, the both the level alignment and work function changes. Our approach constitutes a new practical scheme for accurate and efficient calculations of the electronic structure of molecule-metal interfaces.

Applications of graphite-enabled phase change material composites to improve thermal performance of cementitious materials

NASA Astrophysics Data System (ADS)

Li, Mingli; Lin, Zhibin; Wu, Lili; Wang, Jinhui; Gong, Na

2017-11-01

Enhancing the thermal efficiency to decrease the energy consumption of structures has been the topic of much research. In this study, a graphite-enabled microencapsulated phase change material (GE-MEPCM) was used in the production of a novel thermal energy storage engineered cementitious composite feathering high heat storage capacity and enhanced thermal conductivity. The surface morphology and particle size of the microencapsulated phase change material (MEPCM) were investigated by scanning electron microscopy (SEM). Thermal properties of MEPCM was determined using differential scanning calorimetry (DSC). In addition, thermal and mechanical properties of the cementitious mortar with different admixtures were explored and compared with those of a cementitious composite. It was shown that the latent heat of MEPCM was 162 J/g, offering much better thermal energy storage capacity to the cementitious composite. However, MEPCM was found to decrease the thermal conductivity of the composite, which can be effectively solved by adding natural graphite (NG). Moreover, the incorporation of MEPCM has a certain decrease in the compressive strength, mainly due to the weak interfaces between MEPCM and cement matrix.

Microstructure, Corrosion and Magnetic Behavior of an Aged Dual-Phase Stainless Steel

NASA Astrophysics Data System (ADS)

Ziouche, A.; Haddad, A.; Badji, R.; Zergoug, M.; Zoubiri, N.; Bedjaoui, W.; Abaidia, S.

2018-03-01

In the present work, the effect of the precipitation phenomena on corrosion and magnetic behavior of an aged dual-phase stainless steel was investigated. Aging treatment caused the precipitation of the σ phase, chromium carbides and secondary austenite, which was accompanied by the shifting of the δ/γ interfaces inside the δ ferrite grains. Aging between 700 and 850 °C strongly deteriorated the pitting corrosion resistance of the studied material. Magnetic investigation of the aged material using the vibration sample magnetic technique revealed the sensitivity of the intrinsic magnetic properties to the smallest microstructural change. This was confirmed by the Eddy current technique that led also to the evaluation of the aging-induced localized corrosion.

Controlling the Mobility of the Fluid Interface of Moving Gas Bubbles or Liquid Drops by Using Micellar Solutions of Surfactants

NASA Technical Reports Server (NTRS)

Maldarelli, Charles; Papageorgiou, Demetrios

1998-01-01

Microgravity processes must rely on mechanisms other than buoyancy to move bubbles or droplets from one region to another in a continuous liquid phase. One suggested method is thermocapillary migration in which a temperature gradient is applied to the continuous phase. A significant and as yet unresolved impediment to the use of thermocapillary migration to direct bubble or drop motion is that these migrations can be significantly retarded by the adsorption onto the fluid particle surface of surface active impurities unavoidably present in the continuous or (if the particle is a liquid) droplet phases. The focus of our research was to develop a theory for remobilizing fluid particle interfaces retarded by a surfactant impurity in an effort to make more viable the use of thermocapillary migrations for the management of bubbles and drops in microgravity. We postulated that a surfactant at high bulk concentration which kinetically exchanges rapidly with the surface can restore interface mobility. The scaling arguments along with a discussion of the previous literature is reviewed in the context of the scaling framework. The specific objectives of the research were twofold. The first was to prove the remobilization theory by studying a model problem. As the mechanism for remobilization is independent of the force which drives the particle, the fluid particle shape and the presence of fluid inertia, we chose the simplest model consisting of a spherical bubble rising steadily by buoyancy in creeping flow. We solved the hydrodynamic and surfactant transport equations for rapid kinetic exchange to demonstrate that as the concentration increases, the Marangoni retardation at first increases (the low k behavior) and then decreases (the high k behavior). The second objective was to develop a method to determine the kinetic rate constants of a surfactant molecule, since this information is necessary to select surfactants which will exchange rapidly enough relative to the convective rate in the thermocapillary process of interest. To measure the kinetic rate, we measure the dynamic tension change accompanying adsorption onto an initially clean interface, or the re-equilibration in tension when an equilibrium interface is compressed. The dynamic tension measurements are made by a pendant bubble method, in which surfactant adsorbs onto a pendant bubble, and the tension is measured by analyzing the shape change in the bubble. We conclude this report by detailing the publications, presentations and doctoral thesis completed under the auspices of this grant.

Simulation of radial solute segregation in vertical Bridgman growth of pyridine-doped benzene, a surrogate for binary organic nonlinear optical materials

NASA Astrophysics Data System (ADS)

Lee, Hanjie; Pearlstein, Arne J.

2000-09-01

We present steady axisymmetric computations of solute distributions and radial segregation for vertical Bridgman growth of pyridine-doped benzene, a binary aromatic system with anisotropic solid-phase thermal conductivity, that serves as a model of solute transport in crystal growth of organic nonlinear optical materials. The radial variation of solid-phase mass fraction ( Cs) of pyridine, which is rejected at the growing interface, depends strongly on growth conditions. High growth velocities tend to increase Cs near the centerline, the ampoule wall, or both, and low growth velocities give more nearly uniform radial distributions. The maximum ampoule-wall temperature gradient also affects radial segregation, with convex-to-the-liquid interfaces at small temperature gradients being associated with radially monotonic Cs distributions, and ridged interfaces at higher gradients being associated with nonmonotonic distributions having maxima at the centerline and ampoule wall. Nonuniformity is strongly determined by both interface shape and the nature of the flow near the interface. Solute is transported down to the interface by a large toroidal vortex, and swept radially inward to the centerline by a second, flattened toroidal cell. When the interface is depressed at its junction with the ampoule wall, rejected solute accumulates in the overlying liquid, where convection is relatively weak, resulting in local solute enrichment of the solid. Computations at normal and zero gravity show that for two very similar interface shapes, a maximum in the radial solid-phase solute distribution at the ampoule wall is associated with the interface shape, while the maximum on the centerline is associated with sweeping of solute to the centerline by a vortical flow on the interface. We also show that radial solute segregation depends significantly on whether account is taken of the anisotropy of the solid-phase thermal conductivity. Finally, the computations provide guidance as to the minimum ampoule length required to produce an axially uniform solute distribution over at least part of the length of a boule.

Electrical potential induced switchable wettability of super-aligned carbon nanotube films

NASA Astrophysics Data System (ADS)

Zhang, Guang; Duan, Zheng; Wang, Qinggong; Li, Long; Yao, Wei; Liu, Changhong

2018-01-01

Controlling of the wettability of micro-nano scale surfaces not only plays important roles in basic science but also presents some significant applications in interference shielding materials, microfluidics and phase-change heat transfer enhancement, etc. Here, the superhydrophobic super-aligned carbon nanotube (SACNT) films are firstly obtained by the chemical vapor deposition method and the annealing process. Then their wettabilities are in-situ switched by the electrowetting strategy. Specifically, the fascinating transformation of superhydrophobicity to the superhydrophilicity is achieved by exerting external DC voltages across the CNT-liquid interfaces, and the transitions of Cassie-to-Wenzel states are observed on the multilayer SACNT films. In addition, the electrowetting induced salt absorption of the porous SACNT is also reported here. Finally, the threshold voltages of the electrowetting behaviors for different liquids on the SACNT films and unit capacitances across the CNT-liquid interfaces are obtained, which reveal that the SACNT films have much more outstanding electrowetting properties than the previously reported works. Our approach reported here demonstrates that the wettability of SACNT films could be simply, effectively and in-situ controlled by the electrowetting method, which will have many profound implications in numerous applications such as phase-change heat transfer enhancement, optical lens with variable focal length and microfluidics, etc.

Investigating the time-dependent zeta potential of wood surfaces.

PubMed

Muff, Livius F; Luxbacher, Thomas; Burgert, Ingo; Michen, Benjamin

2018-05-15

This work reports on streaming potential measurements through natural capillaries in wood and investigates the cause of a time-dependent zeta potential measured during the equilibration of wood cell-walls with an electrolyte solution. For the biomaterial, this equilibration phase takes several hours, which is much longer than for many other materials that have been characterized by electrokinetic measurements. During this equilibration phase the zeta potential magnitude is decaying due to two parallel mechanisms: (i) the swelling of the cell-wall which causes a dimensional change reducing the charge density at the capillary interface; (ii) the transport of ions from the electrolyte solution into the permeable cell-wall which alters the electrical potential at the interface by internal charge compensation. The obtained results demonstrate the importance of equilibration kinetics for an accurate determination of the zeta potential, especially for materials that interact strongly with the measurement electrolyte. Moreover, the change in zeta potential with time can be correlated with the bulk swelling of wood if the effect of electrolyte ion diffusion is excluded. This study shows the potential of streaming potential measurements of wood, and possibly of other hygroscopic and nanoporous materials, to reveal kinetic information about their interaction with liquids, such as swelling and ion uptake. Copyright © 2018 Elsevier Inc. All rights reserved.

Soft particles at fluid interfaces: wetting, structure, and rheology

NASA Astrophysics Data System (ADS)

Isa, Lucio

Most of our current knowledge concerning the behavior of colloidal particles at fluid interfaces is limited to model spherical, hard and uniform objects. Introducing additional complexity, in terms of shape, composition or surface chemistry or by introducing particle softness, opens up a vast range of possibilities to address new fundamental and applied questions in soft matter systems at fluid interfaces. In this talk I will focus on the role of particle softness, taking the case of core-shell microgels as a paradigmatic example. Microgels are highly swollen and cross-linked hydrogel particles that, in parallel with their practical applications, e.g. for emulsion stabilization and surface patterning, are increasingly used as model systems to capture fundamental properties of bulk materials. Most microgel particles develop a core-shell morphology during synthesis, with a more cross-linked core surrounded by a corona of loosely linked and dangling polymer chains. I will first discuss the difference between the wetting of a hard spherical colloid and a core-shell microgel at an oil-water interface, pinpointing the interplay between adsorption at the interface and particle deformation. I will then move on to discuss the interplay between particle morphology and the microstructure and rheological properties of the interface. In particular, I will demonstrate that synchronizing the compression of a core-shell microgel-laden fluid interface with the deposition of the interfacial monolayer makes it possible to transfer the 2D phase diagram of the particles onto a solid substrate, where different positions correspond to different values of the surface pressure and the specific area. Using atomic force microscopy, we analyzed the microstructure of the monolayer and discovered a phase transition between two crystalline phases with the same hexagonal symmetry, but with two different lattice constants. The two phases correspond to shell-shell or core-core inter-particle contacts, respectively, where with increasing surface pressure the former mechanically fail 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 extended our analysis to measure the interfacial rheology of the monolayers as a function of the surface pressure using an interfacial microdisk rheometer; the interfaces always show a strong elastic response, with a dip in the elastic modulus in correspondence of the melting of the shell-shell phase, followed by a steep increase upon formation of a percolating network of the core-core contacts. The presented results highlight the complex interplay between the wetting and deformation of individual soft particles at fluid interfaces and the overall interface microstructure and mechanics. They show strong connections to fundamental studies on phase transitions in two-dimensional systems and pave the way for novel nanoscale surface patterning routes. The author acknowledges financial support from the Swiss National Science Foundation Grant PP00P2-144646/1.

A unified analysis of solidification in Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Lu, Ming-Fang

2012-04-01

The simulation of multiphase solidification process can be handled by combining the VOF (Volume of Fluid) transport equation, in which the continuum mechanics model is used to simulate the melt/solid interface and the conservation of mass, momentum, and energy. Because the melt phase, the solid phase, and the melt/solid interface are controlled by a single control equation; if the enthalpy model based on porosity concept represents the processing of the phase transformation range, it is possible to solve the problem of phase transformation in the same way as solving the single-phase problem. Once the energy field of enthalpy for each step in time is resolved, the position of the interface can be precisely calculated with the use of VOF equation. This type of novel VOF method can be applied to find out the conditions of vertical Bridgman crystal growing located on the earth or under microgravity.

A unified analysis of solidification in Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Lu, Ming-Fang

2011-11-01

The simulation of multiphase solidification process can be handled by combining the VOF (Volume of Fluid) transport equation, in which the continuum mechanics model is used to simulate the melt/solid interface and the conservation of mass, momentum, and energy. Because the melt phase, the solid phase, and the melt/solid interface are controlled by a single control equation; if the enthalpy model based on porosity concept represents the processing of the phase transformation range, it is possible to solve the problem of phase transformation in the same way as solving the single-phase problem. Once the energy field of enthalpy for each step in time is resolved, the position of the interface can be precisely calculated with the use of VOF equation. This type of novel VOF method can be applied to find out the conditions of vertical Bridgman crystal growing located on the earth or under microgravity.

On Riemann solvers and kinetic relations for isothermal two-phase flows with surface tension

NASA Astrophysics Data System (ADS)

Rohde, Christian; Zeiler, Christoph

2018-06-01

We consider a sharp interface approach for the inviscid isothermal dynamics of compressible two-phase flow that accounts for phase transition and surface tension effects. Kinetic relations are frequently used to fix the mass exchange and entropy dissipation rate across the interface. The complete unidirectional dynamics can then be understood by solving generalized two-phase Riemann problems. We present new well-posedness theorems for the Riemann problem and corresponding computable Riemann solvers that cover quite general equations of state, metastable input data and curvature effects. The new Riemann solver is used to validate different kinetic relations on physically relevant problems including a comparison with experimental data. Riemann solvers are building blocks for many numerical schemes that are used to track interfaces in two-phase flow. It is shown that the new Riemann solver enables reliable and efficient computations for physical situations that could not be treated before.

A Fundamental Study of the Bonding of Thermal Barrier Coatings.

DTIC Science & Technology

1986-06-01

information, as there is a ubiquitous glassy phase which can, at times, obscure the interface bound- ary. Computer simulation is being used to interpret...interpret the interface structure and determine whether or not an amorphous phase is actually present. It is tempting, however, to stggest that the...discussed, we have been unable so far to specify the ZrO2 orientation that leads to this low-energy interface . It is common in HREM to determine the crystal

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

Active oil-water interfaces: buckling and deformation of oil drops by bacteria

NASA Astrophysics Data System (ADS)

Juarez, Gabriel; Stocker, Roman

2014-11-01

Bacteria are unicellular organisms that seek nutrients and energy for growth, division, and self-propulsion. Bacteria are also natural colloidal particles that attach and self-assemble at liquid-liquid interfaces. Here, we present experimental results on active oil-water interfaces that spontaneously form when bacteria accumulate or grow on the interface. Using phase-contrast and fluorescence microscopy, we simultaneously observed the dynamics of adsorbed Alcanivorax bacteria and the oil-water interface within microfluidic devices. We find that, by growing and dividing, adsorbed bacteria form a jammed monolayer of cells that encapsulates the entire oil drop. As bacteria continue to grow at the interface, the drop buckles and the interface undergoes strong deformations. The bacteria act to stabilize non-equilibrium shapes of the oil-phase such wrinkling and tubulation. In addition to presenting a natural example of a living interface, these findings shape our understanding of microbial degradation of oil and may have important repercussions on engineering interventions for oil bioremediation.

Phase transformations in the reaction cell of TiNi-based sintered systems

NASA Astrophysics Data System (ADS)

Artyukhova, Nadezhda; Anikeev, Sergey; Yasenchuk, Yuriy; Chekalkin, Timofey; Gunther, Victor; Kaftaranova, Maria; Kang, Ji-Hoon; Kim, Ji-Soon

2018-05-01

The present work addresses the structural-phase state changes of porous TiNi-based compounds fabricated by reaction sintering (RS) of Ti and Ni powders with Co, Mo, and no additives introduced. The study also emphasizes the features of a reaction cell (RC) during the transition from the solid- to liquid-phase sintering. Mechanisms of phase transformations occurring in the solid phase, involving the low-melting Ti2Ni phase within the RC, have been highlighted. Also, the intermediate Ti2Ni phase had a crucial role to provide both the required RS behavior and modified phase composition of RS samples, and besides, it is found to be responsible for the near-equiatomic TiNi saturation of the melt. Both cobalt and molybdenum additives are shown to cause additional structuring of the transition zone (TZ) at the Ti2Ni‑TiNi interface and broadening of this zone. The impact of Co and Mo on the Ti2Ni phase is evident through fissuring of this phase layer, which is referred to solidified stresses increased in the layer due to post-alloying defects in the structure.

Characterization of the Dynamic Pressure Response of Fuels in Microchannels

NASA Astrophysics Data System (ADS)

Haendler, Brenda; Pisano, Albert; Liepmann, Dorian

2004-11-01

In order to create a self-pumping fuel vaporization and delivery systems for a MEMS rotary engine power system, the dynamic pressure response due to phase eruption of fuels in micro channels must be characterized. Testing is done using micro channels with diameters the same order of magnitude as the critical bubble radius, a constant mass flow rate syringe pump, and a steady heat source. Pressure changes in the micro channel due to the periodic movement of the phase change meniscus are measured for a variety of flow conditions. A discrete Fourier transform is performed on the data to determine the dominant frequencies in the signal. Critical trends are discussed comparing both the frequency and the amplitude of the pressure spikes for a variety of temperatures and flow rates. The results presented on the trends in the pressure signature due to phase eruption for fuels are then related back to the fuel delivery system, which is using a nozzle-diffuser design to accomplish positive flow rectification given the periodic pressure condition at the phase eruption interface.

Disruption of gel phase lipid packing efficiency by sucralose studied with merocyanine 540.

PubMed

Barker, Morgan; Kennedy, Anthony

2017-04-01

Sucralose, an artificial sweetener, displays very different behavior towards membranes than its synthetic precursor sucrose. The impact of both sugars on model dipalmitoylphosphatidylcholine model membranes was investigated using absorbance and flourescence spectroscopy and the membrane probe merocyanine 540. This probe molecule is highly sensitive to changes in membrane packing, microviscosity and polarity. This work focuses on the impact of sugars on the outer leaflet of unilamellar dipalmitoyl phosphatidylcholine model membranes. The choice of lipid permits access to the gel phase at room temperature and incorporation of the dye after liposome formation allows us to examine the direct impact of the sugar on the outer leaflet while maximizing the response of the dye to changes in the bilayer. The results demonstrate that sucrose has no impact on the packing efficiency of lipids in unilamellar DPPC vesicles in the gel phase. Conversely sucralose decreases the packing efficiency of lipids in the gel phase and results in decreased microviscosity and increased membrane fluidity, which may be as a result of water disruption at the membrane water interface. Copyright © 2017 Elsevier B.V. All rights reserved.

Analysis of X-Ray Microradiographs of Al-Au Interface Quench Profile using Modeling of Solidification Including Double-Diffusion and Convection in the Melt

NASA Technical Reports Server (NTRS)

Bune, Andris V.; Kaukler, William

1999-01-01

Experimental data on Al-0.8Au horizontal solidification of a 1 mm thick specimen in a BN crucible shows the effect of growth rate on the solidification interface shape. For translation rates below 0.5 micron/s the interface maintains a plain and flat shape. When the translation rate is 3 to 5 micron/s or more, the interface appearance changes to two planar zones, with the zone closer to the bottom having higher inclination. The interface shapes were measured by first quenching in place during growth. X-ray microscopy shows the interface shape within the quenched sample by viewing through the side of the specimen. In order to provide theoretical explanation of the phenomena, numerical modeling was undertaken using finite element code FIDAP. Double diffusion convection in Al-0.8Au melt and crystal-melt interface curvature during directional solidification was analyzed numerically. Actual thermophysical properties of Al-0.8Au including the binary Al-Au phase diagram were used. Although convection in the sample is weak, for the slower translation rate convection and diffusion is sufficient for the redistribution of initial compositional stratification caused by gravity. When translation rate is raised, neither convection nor diffusion can provide proper mixing so that solidification temperatures differ significantly near the bottom within the bulk of the sample. As a result, the solid-liquid interface appears to have two planar zones with different inclination.

User interface and operational issues with thermionic space power systems

NASA Technical Reports Server (NTRS)

Dahlberg, R. C.; Fisher, C. R.

1987-01-01

Thermionic space power systems have unique features which facilitate predeployment operations, provide operational flexibility and simplify the interface with the user. These were studied in some detail during the SP-100 program from 1983 to 1985. Three examples are reviewed in this paper: (1) system readiness verification in the prelaunch phase; (2) startup, shutdown, and dormancy in the operations phase; (3) part-load operation in the operations phase.

Characterization of the reaction products and precipitates at the interface of carbon fiber reinforced magnesium–gadolinium composite

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

Wang, Yaping; Jiang, Longtao, E-mail: longtaojiang@163.com; Chen, Guoqin

2016-03-15

In the present work, carbon fiber reinforced magnesium-gadolinium composite was fabricated by pressure infiltration method. The phase composition, micro-morphology, and crystal structure of reaction products and precipitates at the interface of the composite were investigated. Scanning electron microscopy and energy dispersive spectroscopy analysis revealed the segregation of gadolinium element at the interface between carbon fiber and matrix alloy. It was shown that block-shaped Gd4C5, GdC2 and nano-sized Gd2O3 were formed at the interface during the fabrication process due to the interfacial reaction. Furthermore, magnesium-gadolinium precipitates including needle-like Mg5Gd (or Mg24Gd5) and thin plate-shaped long period stacking-ordered phase, were also observedmore » at the interface and in the matrix near the interface. The interfacial microstructure and bonding mode were influenced by these interfacial products, which were beneficial for the improvement of the interfacial bonding strength. - Highlights: • Gadolinium element segregated on the surface of carbon fibers. • Block-shaped Gd{sub 4}C{sub 5} and GdC{sub 2} were formed at the interface via chemical reaction. • Gadolinium and oxygen reacted at the interface and formed nano-scaled Gd{sub 2}O{sub 3}. • The precipitates formed in the interface were identified to be Mg{sub 5}Gd (or Mg{sub 24}Gd{sub 5}) and plate-shaped long period stacking-ordered phase.« less

The influence of an interface electric field on the distribution coefficient of chromium in LiNbO 3

NASA Astrophysics Data System (ADS)

Uda, Satoshi; Tiller, William A.

1992-06-01

The effective solute partitioning of chromium was investigated on single crystals of LiNbO 3 grown by the laser-heated pedestal growth (LHPG) technique. Electric field effects at the interface influence this solute partitioning, leading to an electric field-dependent effective solute distribution coefficient, kE. The LHPG technique made it possible to explore these field effects by controllably changing the growth velocity ( V) and the temperature gradient ( GS, GL) near the interface over a wide range. The electric field generated via the temperature gradient is associated with the thermoelectric power while an additional electric field is growth rate associated via a charge separation effect. By applying the Burton-Prim-Slichter (BPS) theory to our experimental data, we found the phase diagram solute partition coefficient to be k0 ≈ 3.65, while the field-influenced solute partition coefficient ( V = 0) was k' EO ≈ 8.17 at GL ≈ 11500°C/cm. It is theoretically shown that the same considerations can be applied to all ionic partitioning at a solid-liquid interface.

Translational and rotational diffusion of Janus nanoparticles at liquid interfaces

NASA Astrophysics Data System (ADS)

Rezvantalab, Hossein; Shojaei-Zadeh, Shahab

2014-11-01

We use molecular dynamics simulations to understand the thermal motion of nanometer-sized Janus particles at the interface between two immiscible fluids. We consider spherical nanoparticles composed of two sides with different affinity to fluid phases, and evaluate their dynamics and changes in fluid structure as a function of particle size and surface chemistry. We show that as the amphiphilicity increases upon enhancing the wetting of each side with its favored fluid, the in-plane diffusivity at the interface becomes slower. Detail analysis of the fluid structure reveals that this is mainly due to formation of a denser adsorption layer around more amphiphilic particles, which leads to increased drag acting against nanoparticle motion. Similarly, the rotational thermal motion of Janus particles is reduced compared to their homogeneous counterparts as a result of the higher resistance of neighboring fluid species against rotation. We also incorporate the influence of fluid density and surface tension on the interfacial dynamics of such Janus nanoparticles. Our findings may have implications in understanding the adsorption mechanism of drugs and protein molecules with anisotropic surface properties to biological interfaces including cell membranes.

New tracking implementation in the Deep Space Network

NASA Technical Reports Server (NTRS)

Berner, Jeff B.; Bryant, Scott H.

2001-01-01

As part of the Network Simplification Project, the tracking system of the Deep Space Network is being upgraded. This upgrade replaces the discrete logic sequential ranging system with a system that is based on commercial Digital Signal Processor boards. The new implementation allows both sequential and pseudo-noise types of ranging. The other major change is a modernization of the data formatting. Previously, there were several types of interfaces, delivering both intermediate data and processed data (called 'observables'). All of these interfaces were bit-packed blocks, which do not allow for easy expansion, and many of these interfaces required knowledge of the specific hardware implementations. The new interface supports four classes of data: raw (direct from the measuring equipment), derived (the observable data), interferometric (multiple antenna measurements), and filtered (data whose values depend on multiple measurements). All of the measurements are reported at the sky frequency or phase level, so that no knowledge of the actual hardware is required. The data is formatted into Standard Formatted Data Units, as defined by the Consultative Committee for Space Data Systems, so that expansion and cross-center usage is greatly enhanced.

Interfaces in Heterogeneous Catalysts: Advancing Mechanistic Understanding through Atomic-Scale Measurements.

PubMed

Gao, Wenpei; Hood, Zachary D; Chi, Miaofang

2017-04-18

Developing novel catalysts with high efficiency and selectivity is critical for enabling future clean energy conversion technologies. Interfaces in catalyst systems have long been considered the most critical factor in controlling catalytic reaction mechanisms. Interfaces include not only the catalyst surface but also interfaces within catalyst particles and those formed by constructing heterogeneous catalysts. The atomic and electronic structures of catalytic surfaces govern the kinetics of binding and release of reactant molecules from surface atoms. Interfaces within catalysts are introduced to enhance the intrinsic activity and stability of the catalyst by tuning the surface atomic and chemical structures. Examples include interfaces between the core and shell, twin or domain boundaries, or phase boundaries within single catalyst particles. In supported catalyst nanoparticles (NPs), the interface between the metallic NP and support serves as a critical tuning factor for enhancing catalytic activity. Surface electronic structure can be indirectly tuned and catalytically active sites can be increased through the use of supporting oxides. Tuning interfaces in catalyst systems has been identified as an important strategy in the design of novel catalysts. However, the governing principle of how interfaces contribute to catalyst behavior, especially in terms of interactions with intermediates and their stability during electrochemical operation, are largely unknown. This is mainly due to the evolving nature of such interfaces. Small changes in the structural and chemical configuration of these interfaces may result in altering the catalytic performance. These interfacial arrangements evolve continuously during synthesis, processing, use, and even static operation. A technique that can probe the local atomic and electronic interfacial structures with high precision while monitoring the dynamic interfacial behavior in situ is essential for elucidating the role of interfaces and providing deeper insight for fine-tuning and optimizing catalyst properties. Scanning transmission electron microscopy (STEM) has long been a primary characterization technique used for studying nanomaterials because of its exceptional imaging resolution and simultaneous chemical analysis. Over the past decade, advances in STEM, that is, the commercialization of both aberration correctors and monochromators, have significantly improved the spatial and energy resolution. Imaging atomic structures with subangstrom resolution and identifying chemical species with single-atom sensitivity are now routine for STEM. These advancements have greatly benefitted catalytic research. For example, the roles of lattice strain and surface elemental distribution and their effect on catalytic stability and reactivity have been well documented in bimetallic catalysts. In addition, three-dimensional atomic structures revealed by STEM tomography have been integrated in theoretical modeling for predictive catalyst NP design. Recent developments in stable electronic and mechanical devices have opened opportunities to monitor the evolution of catalysts in operando under synthesis and reaction conditions; high-speed direct electron detectors have achieved sub-millisecond time resolutions and allow for rapid structural and chemical changes to be captured. Investigations of catalysts using these latest microscopy techniques have provided new insights into atomic-level catalytic mechanisms. Further integration of new microscopy methods is expected to provide multidimensional descriptions of interfaces under relevant synthesis and reaction conditions. In this Account, we discuss recent insights on understanding catalyst activity, selectivity, and stability using advanced STEM techniques, with an emphasis on how critical interfaces dictate the performance of precious metal-based heterogeneous catalysts. The role of extended interfacial structures, including those between core and shell, between separate phases and twinned grains, between the catalyst surface and gas, and between metal and support are discussed. We also provide an outlook on how emerging electron microscopy techniques, such as vibrational spectroscopy and electron ptychography, will impact future catalysis research.

Constructing a High-Sensitivity, Computer-Interfaced, Differential Thermal Analysis Device for Teaching and Research

ERIC Educational Resources Information Center

Martinez, L. M.; Videa, M.; Mederos, F.; Mesquita, J.

2007-01-01

The construction of a new highly-sensitive, computer-interfaced, differential thermal analysis (DTA) device, used for gathering different information about the chemical reactions, is described. The instrument provides a better understanding about the phase transitions, phase diagrams and many more concepts to the students.

Diffuse X-ray scattering near a two-dimensional solid–liquid phase transition at the n-hexane–water interface

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

Tikhonov, A. M.

According to experimental data on X-ray scattering and reflectometry with synchrotron radiation, a twodimensional crystallization phase transition in a monolayer of melissic acid at the n-hexane–water interface with a decrease in the temperature occurs after a wetting transition.

On the stress calculation within phase-field approaches: a model for finite deformations

NASA Astrophysics Data System (ADS)

Schneider, Daniel; Schwab, Felix; Schoof, Ephraim; Reiter, Andreas; Herrmann, Christoph; Selzer, Michael; Böhlke, Thomas; Nestler, Britta

2017-08-01

Numerical simulations based on phase-field methods are indispensable in order to investigate interesting and important phenomena in the evolution of microstructures. Microscopic phase transitions are highly affected by mechanical driving forces and therefore the accurate calculation of the stresses in the transition region is essential. We present a method for stress calculations within the phase-field framework, which satisfies the mechanical jump conditions corresponding to sharp interfaces, although the sharp interface is represented as a volumetric region using the phase-field approach. This model is formulated for finite deformations, is independent of constitutive laws, and allows using any type of phase inherent inelastic strains.

Surface charge-induced EDL interaction on the contact angle of surface nanobubbles.

PubMed

Jing, Dalei; Li, Dayong; Pan, Yunlu; Bhushan, Bharat

2016-11-01

The contact angle (CA) of surface nanobubbles is believed to affect the stability of nanobubbles and fluid drag in micro/nanofluidic systems. The CA of nanobubbles is dependent on size and is believed to be affected by the surface charge-induced electrical double layer (EDL). However, neither of these of attributes are well understood. In this paper, by introducing an EDL-induced electrostatic wetting tension, a theoretical model is first established to study the effect of EDLs formed near the solid-liquid interface and the liquid-nanobubble interface on the gas phase CA of nanobubbles. The size-dependence of this EDL interaction is studied as well. Next, by using atomic force microscopy (AFM), the effect of the EDL on nanobubbles' gas phase CA is studied with variable electrical potential at the solid-liquid interface, which is adjusted by an applied voltage. Both the theoretical and the experimental results show that the EDLs formed near the solid-liquid interface and the liquid-nanobubble interface lead to a reduction of gas phase CA of the surface nanobubbles because of an electrostatic wetting tension on the nanobubble due to the attractive electrostatic interaction between the liquid and nanobubble within the EDL, which is in the nanobubbles' outward direction. An EDL with a larger zeta potential magnitude leads to a larger gas phase CA reduction. Furthermore, the effect of EDL on the nanobubbles' gas phase CA shows a significant size-dependence considering the size dependence of the electrostatic wetting tension. The gas phase CA reduction due to the EDL decreases with increasing nanobubble height and increases with the nanobubble's increasing curvature radius, indicating that a surface charge-induced EDL could possibly explain the size dependence of the gas phase CA of nanobubbles.

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.

Coherently Coupled ZnO and VO2 Interface studied by Photoluminescence and electrical transport across a phase transition

NASA Astrophysics Data System (ADS)

Srivastava, Amar; Saha, S.; Annadi, A.; Zhao, Y. L.; Gopinadhan, K.; Wang, X.; Naomi, N.; Liu, Z. Q.; Dhar, S.; Herng, T. S.; Nina, Bao; Ariando, -; Ding, Jun; Venkatesan, T.

2012-02-01

In this work we report a study of a coherently coupled interface consisting of a ZnO layer grown on top of an oriented VO2 layer on sapphire by photoluminescence and electrical transport measurements across the VO2 metal insulator phase transition (MIT). The photoluminescence of the ZnO layer showed a broad hysteresis induced by the phase transition of VO2 while the width of the electrical hysteresis was narrow and unaffected by the over layer. The enhanced width of the PL hysteresis was due to the formation of defects during the MIT as evidenced by a broad hysteresis in the opposite direction to that of the band edge PL in the defect luminescense. Unlike VO2 the defects in ZnO did not fully recover across the phase transition. From the defect luminescence data, oxygen interstitials were found to be the predominant defects in ZnO mediated by the strain from the VO2 phase transition. Such coherently coupled interfaces could be of use in characterizing the stability of a variety of interfaces and also for novel device application.

Formally verifying human–automation interaction as part of a system model: limitations and tradeoffs

PubMed Central

Bass, Ellen J.

2011-01-01

Both the human factors engineering (HFE) and formal methods communities are concerned with improving the design of safety-critical systems. This work discusses a modeling effort that leveraged methods from both fields to perform formal verification of human–automation interaction with a programmable device. This effort utilizes a system architecture composed of independent models of the human mission, human task behavior, human-device interface, device automation, and operational environment. The goals of this architecture were to allow HFE practitioners to perform formal verifications of realistic systems that depend on human–automation interaction in a reasonable amount of time using representative models, intuitive modeling constructs, and decoupled models of system components that could be easily changed to support multiple analyses. This framework was instantiated using a patient controlled analgesia pump in a two phased process where models in each phase were verified using a common set of specifications. The first phase focused on the mission, human-device interface, and device automation; and included a simple, unconstrained human task behavior model. The second phase replaced the unconstrained task model with one representing normative pump programming behavior. Because models produced in the first phase were too large for the model checker to verify, a number of model revisions were undertaken that affected the goals of the effort. While the use of human task behavior models in the second phase helped mitigate model complexity, verification time increased. Additional modeling tools and technological developments are necessary for model checking to become a more usable technique for HFE. PMID:21572930

Temperature-mediated transition from Dyakonov-Tamm surface waves to surface-plasmon-polariton waves

NASA Astrophysics Data System (ADS)

Chiadini, Francesco; Fiumara, Vincenzo; Mackay, Tom G.; Scaglione, Antonio; Lakhtakia, Akhlesh

2017-08-01

The effect of changing the temperature on the propagation of electromagnetic surface waves (ESWs), guided by the planar interface of a homogeneous isotropic temperature-sensitive material (namely, InSb) and a temperature-insensitive structurally chiral material (SCM) was numerically investigated in the terahertz frequency regime. As the temperature rises, InSb transforms from a dissipative dielectric material to a dissipative plasmonic material. Correspondingly, the ESWs transmute from Dyakonov-Tamm surface waves into surface-plasmon-polariton waves. The effects of the temperature change are clearly observed in the phase speeds, propagation distances, angular existence domains, multiplicity, and spatial profiles of energy flow of the ESWs. Remarkably large propagation distances can be achieved; in such instances the energy of an ESW is confined almost entirely within the SCM. For certain propagation directions, simultaneous excitation of two ESWs with (i) the same phase speeds but different propagation distances or (ii) the same propagation distances but different phase speeds are also indicated by our results.

A Generalized Multi-Phase Framework for Modeling Cavitation in Cryogenic Fluids

NASA Technical Reports Server (NTRS)

Dorney, Dan (Technical Monitor); Hosangadi, Ashvin; Ahuja, Vineet

2003-01-01

A generalized multi-phase formulation for cavitation in fluids operating at temperatures elevated relative to their critical temperatures is presented. The thermal effects and the accompanying property variations due to phase change are modeled rigorously. Thermal equilibrium is assumed and fluid thermodynamic properties are specified along the saturation line using the NIST-12 databank. Fundamental changes in the physical characteristics of the cavity when thermal effects become pronounced are identified; the cavity becomes more porous, the interface less distinct, and has increased entrainment when temperature variations are present. Quantitative estimates of temperature and pressure depressions in both liquid nitrogen and liquid hydrogen were computed and compared with experimental data of Hord for hydrofoils. Excellent estimates of the leading edge temperature and pressure depression were obtained while the comparisons in the cavity closure region were reasonable. Liquid nitrogen cavities were consistently found to be in thermal equilibrium while liquid hydrogen cavities exhibited small, but distinct, non-equilibrium effects.

Multiple Supersonic Phase Fronts Launched at a Complex-Oxide Heterointerface

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

Först, M.; Beyerlein, K. R.; Mankowsky, R.

Selective optical excitation of a substrate lattice can drive phase changes across heterointerfaces. This phenomenon is a nonequilibrium analogue of static strain control in heterostructures and may lead to new applications in optically controlled phase change devices. Here, we make use of time-resolved nonresonant and resonant x-ray diffraction to clarify the underlying physics and to separate different microscopic degrees of freedom in space and time. We also measure the dynamics of the lattice and that of the charge disproportionation in NdNiO 3 , when an insulator-metal transition is driven by coherent lattice distortions in the LaAlO 3 substrate. We findmore » that charge redistribution propagates at supersonic speeds from the interface into the NdNiO 3 film, followed by a sonic lattice wave. Our results establish a hierarchy of events for ultrafast control at complex-oxide heterointerfaces, when combined with measurements of magnetic disordering and of the metal-insulator transition.« less

Multiple Supersonic Phase Fronts Launched at a Complex-Oxide Heterointerface

DOE PAGES

Först, M.; Beyerlein, K. R.; Mankowsky, R.; ...

2017-01-09

Selective optical excitation of a substrate lattice can drive phase changes across heterointerfaces. This phenomenon is a nonequilibrium analogue of static strain control in heterostructures and may lead to new applications in optically controlled phase change devices. Here, we make use of time-resolved nonresonant and resonant x-ray diffraction to clarify the underlying physics and to separate different microscopic degrees of freedom in space and time. We also measure the dynamics of the lattice and that of the charge disproportionation in NdNiO 3 , when an insulator-metal transition is driven by coherent lattice distortions in the LaAlO 3 substrate. We findmore » that charge redistribution propagates at supersonic speeds from the interface into the NdNiO 3 film, followed by a sonic lattice wave. Our results establish a hierarchy of events for ultrafast control at complex-oxide heterointerfaces, when combined with measurements of magnetic disordering and of the metal-insulator transition.« less

UWB Tracking Software Development

NASA Technical Reports Server (NTRS)

Gross, Julia; Arndt, Dickey; Ngo, Phong; Phan, Chau; Dusl, John; Ni, Jianjun; Rafford, Melinda

2006-01-01

An Ultra-Wideband (UWB) two-cluster Angle of Arrival (AOA) tracking prototype system is currently being developed and tested at NASA Johnson Space Center for space exploration applications. This talk discusses the software development efforts for this UWB two-cluster AOA tracking system. The role the software plays in this system is to take waveform data from two UWB radio receivers as an input, feed this input into an AOA tracking algorithm, and generate the target position as an output. The architecture of the software (Input/Output Interface and Algorithm Core) will be introduced in this talk. The development of this software has three phases. In Phase I, the software is mostly Matlab driven and calls C++ socket functions to provide the communication links to the radios. This is beneficial in the early stage when it is necessary to frequently test changes in the algorithm. Phase II of the development is to have the software mostly C++ driven and call a Matlab function for the AOA tracking algorithm. This is beneficial in order to send the tracking results to other systems and also to improve the tracking update rate of the system. The third phase is part of future work and is to have the software completely C++ driven with a graphics user interface. This software design enables the fine resolution tracking of the UWB two-cluster AOA tracking system.

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

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

Dahms, Rainer N.

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

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

Dahms, Rainer N., E-mail: Rndahms@sandia.gov

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. The significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

Understanding the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions

DOE PAGES

Dahms, Rainer N.

2016-04-26

A generalized framework for multi-component liquid injections is presented to understand and predict the breakdown of classic two-phase theory and spray atomization at engine-relevant conditions. The analysis focuses on the thermodynamic structure and the immiscibility state of representative gas-liquid interfaces. The most modern form of Helmholtz energy mixture state equation is utilized which exhibits a unique and physically consistent behavior over the entire two-phase regime of fluid densities. It is combined with generalized models for non-linear gradient theory and for liquid injections to quantify multi-component two-phase interface structures in global thermal equilibrium. Then, the Helmholtz free energy is minimized whichmore » determines the interfacial species distribution as a consequence. This minimal free energy state is demonstrated to validate the underlying assumptions of classic two-phase theory and spray atomization. However, under certain engine-relevant conditions for which corroborating experimental data are presented, this requirement for interfacial thermal equilibrium becomes unsustainable. A rigorously derived probability density function quantifies the ability of the interface to develop internal spatial temperature gradients in the presence of significant temperature differences between injected liquid and ambient gas. Then, the interface can no longer be viewed as an isolated system at minimal free energy. Instead, the interfacial dynamics become intimately connected to those of the separated homogeneous phases. Hence, the interface transitions toward a state in local equilibrium whereupon it becomes a dense-fluid mixing layer. A new conceptual view of a transitional liquid injection process emerges from a transition time scale analysis. Close to the nozzle exit, the two-phase interface still remains largely intact and more classic two-phase processes prevail as a consequence. Further downstream, however, the transition to dense-fluid mixing generally occurs before the liquid length is reached. As a result, the significance of the presented modeling expressions is established by a direct comparison to a reduced model, which utilizes widely applied approximations but fundamentally fails to capture the physical complexity discussed in this paper.« less

The role of process history, phase morphology and interface strength upon the mechanical properties of dispersion strengthened alloys

NASA Technical Reports Server (NTRS)

Ansell, G. S.

1972-01-01

An analytical rationale for the sensitivity-insensitivity of dispersion-strengthened systems to process history is provided. In particular, the research was focussed upon the influence of the particle-matrix interface bond in TD-Nickel and TD-Nichrome, and the manner in which the differences in both elastic constants and thermal expansion coefficients between these phases stress this interface when these alloys are subjected to mechanical and thermal loads upon the mechanical properties of these alloys.

Condition of Mechanical Equilibrium at the Phase Interface with Arbitrary Geometry

NASA Astrophysics Data System (ADS)

Zubkov, V. V.; Zubkova, A. V.

2017-09-01

The authors produced an expression for the mechanical equilibrium condition at the phase interface within the force definition of surface tension. This equilibrium condition is the most general one from the mathematical standpoint and takes into account the three-dimensional aspect of surface tension. Furthermore, the formula produced allows describing equilibrium on the fractal surface of the interface. The authors used the fractional integral model of fractal distribution and took the fractional order integrals over Euclidean space instead of integrating over the fractal set.

Asymmetric reduction of benzil to (S)-benzoin with Penicillium claviforme IAM 7294 in a liquid-liquid interface bioreactor (L-L IBR).

PubMed

Oda, Shinobu; Isshiki, Kunio

2008-05-01

The asymmetric reduction of benzyl to (S)-benzoin with Penicillium claviforme IAM 7294 was applied to a liquid-liquid interface bioreactor (L-L IBR) using a unique polymeric material, ballooned microsphere (MS). The L-L IBR showed superior performance, as compared with suspension, organic-aqueous two-liquid-phase, and solid-liquid interface bioreactor (S-L IBR) systems, affording 14.4 g/l-organic phase of (S)-benzoin (99.0% ee).

Mechanics of Cell Crawling by Means of Force-free Cyclic Motion

NASA Astrophysics Data System (ADS)

Tarama, Mitsusuke; Yamamoto, Ryoichi

2018-04-01

The mechanics of crawling cells on a substrate is investigated by using a minimal model that satisfies the force-free condition. A cell is described by two subcellular elements connected by a linear actuator that changes the length of the cell cyclically in time, together with periodic alternation of adhesive characters at the interface between the cell and the substrate. Here the key model parameters are the phase shifts between the elongation of the actuator and the alternation of the adhesion of the two elements. We emphasize that the phase shifts determine not only the efficiency of the crawling motion but also its direction.

Dependence of surface tension on curvature obtained from a diffuse-interface approach

NASA Astrophysics Data System (ADS)

Badillo, Arnoldo; Lafferty, Nathan; Matar, Omar K.

2017-11-01

From a sharp-interface viewpoint, the surface tension force is f = σκδ (x -xi) n , where σ is the surface tension, κ the local interface curvature, δ the delta function, and n the unit normal vector. The numerical implementation of this force on discrete domains poses challenges that arise from the calculation of the curvature. The continuous surface tension force model, proposed by Brackbill et al. (1992), is an alternative, used commonly in two-phase computational models. In this model, δ is replaced by the gradient of a phase indicator field, whose integral across a diffuse-interface equals unity. An alternative to the Brackbill model are Phase-Field models, which do not require an explicit calculation of the curvature. However, and just as in Brackbill's approach, there are numerical errors that depend on the thickness of the diffuse interface, the grid spacing, and the curvature. We use differential geometry to calculate the leading errors in this force when obtained from a diffuse-interface approach, and outline possible routes to eliminate them. Our results also provide a simple geometrical explanation to the dependence of surface tension on curvature, and to the problem of line tension.

Crystalline oxides on semiconductors: A structural transition of the interface phase

NASA Astrophysics Data System (ADS)

Walker, F. J.; Buongiorno-Nardelli, Marco; Billman, C. A.; McKee, R. A.

2004-03-01

The growth of crystalline oxides on silicon is facilitated by the preparation of a surface phase of alkaline earth silicide. We describe how the surface phase serves as a precursor of the final interface phase using reflection high energy electron diffraction (RHEED) and density functional theory (DFT). RHEED intensity oscillations of the growth of BaSrO show layer-by-layer build up of the oxide on the interface. The 2x1 symmetry of the surface precursor persists up to 3 ML BaSrO coverage at which point a 1x1 pattern characteristic of the rock-salt structure of BaSrO is observed. Prior to 3 ML growth of alkaline earth oxide, DFT calculations and RHEED show that the surface precursor persists as the interface phase and induces large displacements in the growing oxide layer away from the rock-salt structure and having a 2x1 symmetry. These distortions of the rock-salt structure are energetically unfavorable and become more unfavorable as the oxide thickness increases. At 3 ML, the stability of the rock-salt structure drives a structural transformation of the film and the interface phase to a structure that is distinct from the surface precursor. Research sponsored jointly by the Division of Materials Sciences and Engineering, Office of Basic Energy Sciences, U.S. Department of Energy at Oak Ridge National Laboratory under contract DE-AC05-00OR22725 with UT-Battelle, LLC and at the University of Tennessee under contract DE-FG02-01ER45937. Calculations have been performed on CCS supercomputers at Oak Ridge National Laboratory.

Configurational phases in elastic foams under lengthscale-free punching

NASA Astrophysics Data System (ADS)

Sabuwala, Tapan; Dai, Xiangyu; Gioia, Gustavo

2016-08-01

We carry out experiments with brick-like specimens of elastic open-cell (EOC) foams of three relative densities. Individual specimens may be "tall" (height = width = depth) or "short" (2 height = width = depth). We place each specimen on a supporting plate and use a lengthscale-free (wedge-shaped or conical) punch to apply forces downward along the specimen's height. Regardless of the type of specimen, the force-penetration curves remain linear, for the wedge-shaped punch, or quadratic, for the conical punch, up to a sizable penetration commensurate with the smallest lengthscale of the specimen. After that there is an abrupt, all-but-discontinuous change in stiffness: if the specimen is tall, the stiffness drops; if the specimen is short, the stiffness shoots up. To analyze these curious experimental results, we posit that EOC foams can be found in either of two configurational phases, here termed the low-strain phase and the high-strain phase, which share a two-dimensional interface (a surface of strain discontinuity). The analysis may be outlined as follows. In the first part of an experiment, there obtains a "similarity regime" in which the penetration of the punch and the radius of the interface are the only prevailing lengthscales (because the punch is lengthscale free). In this case, it is possible to show that the force-penetration curve must be linear, or quadratic, depending on whether the punch be wedge-shaped or conical, respectively. This prediction of the analysis is consistent with the experiments. In time, the similarity regime breaks down when the interface reaches one of the specimen's boundaries distal to the tip of the punch. If the specimen is tall, the soft, stress-free lateral boundary is reached first, and the stiffness must drop; if the specimen is short, the hard boundary in contact with the supporting plate is reached first, and the stiffness must shoot up. These predictions too are consistent with the experiments. To provide direct empirical evidence of the interface, we use a digital-image correlation method. Lastly, we run computational simulations of all the experiments, using finite elements and the skeleton-and-bubble model of EOC foams. The computational results are in good accord with the experimental ones, and they allow us to carry out a detailed validation of the analysis. Our findings evince the cardinal role of configurational phases in the mechanics of EOC foams.

AuNP-PE interface/phase and its effects on the tensile behaviour of AuNP-PE composites

NASA Astrophysics Data System (ADS)

Wang, Yue; Wang, Ruijie; Wang, Chengyuan; Yu, Xiaozhu

2018-06-01

A comprehensive study was conducted for a gold nanoparticle (AuNP)-polyethylene (PE) composite. Molecular dynamic (MD) simulations were employed to construct the AuNP-PE systems, achieve their constitutive relations, and measure their tensile properties. Specifically, the AuNP-PE interface/phase was studied via the mass density profile, and its effect was evaluated by comparing the composite with a pure PE matrix. These research studies were followed by the study of the fracture mechanisms and the size and volume fraction effects of AuNPs. Efforts were also made to reveal the underlying physics of the MD simulations. In the present work, an AuNP-PE interface and a densified PE interphase were achieved due to the AuNP-PE van der Waals interaction. Such an interface/phase is found to enhance the Young's modulus and yield stress but decrease the fracture strength and strain.

Transmission electron microscopy investigation of interfaces in a two-phase TiAl alloy

NASA Astrophysics Data System (ADS)

Mahon, G. J.; Howe, J. M.

1990-06-01

The atomic structures of the γ/α2 and γ/γT interfaces in a TiAl alloy were investigated using conventional and high-resolution transmission electron microscopy (TEM) in order to understand the growth mechanisms and deformation behavior of the two-phase alloy. The results show that the α2 plates grow from the γ phase by the migration of a/6<112> partial dislocation ledges across the faces and that the γ/α2 interface usually contains closely spaced arrays of interfacial dislocations. Deformation twins cut through both γ twin boundaries and α2 plates during deformation, although slip of twinning c slocations through α2 appears to be a difficult process. Both the γ/α2 and γ/γT interfaces can be imaged and modeled at the atomic level, although slight crystal and/or beam tilt can complicate image interpretation.

The Interface Influence in TiN/SiN x Multilayer Nanocomposite Under Irradiation

NASA Astrophysics Data System (ADS)

Uglov, V. V.; Safronov, I. V.; Kvasov, N. T.; Remnev, G. E.; Shimanski, V. I.

2018-01-01

The paper focuses on studying the kinetics of radiation-induced point defects formed in TiN/SiN x multilayer nanocomposites with account of their generation, diffusion recombination, and the influence of sinks functioning as interfaces. In order to describe the kinetics in nanocrystalline TiN and amorphous SiN x phases, a finite-difference method is used to solve the system of balance kinetic equations for absolute defect concentrations depending on the spatiotemporal variables. A model of the disclination-dislocation interface structure is used to study the absorption of radiation-induced point defects on the boundaries in created stress fields. It is shown that the interface effectively absorbs point defects in these phases of TiN/SiN x multilayer nanocomposite, thereby reducing their amount within the space between phases. This behavior of point defects partially explains a mechanism of the radiation resistance in this type of nanocomposites.

Liquid?solid helium interface: some conceptual questions

NASA Astrophysics Data System (ADS)

Leggett, A. J.

2003-12-01

I raise, and discuss qualitatively, some conceptual issues concerning the interface between the crystalline solid and superfluid liquid phases of 4He emphasizing, in particular, the fact that the ground-state wave functions of the two phases are prima facie qualitatively quite different, in that the superfluid liquid phase possesses off-diagonal long-range order (ODLRO), while the crystalline solid does not. The fact that the statics and dynamics of the interface do not appear to be particularly sensitive to the presence of ODLRO in the liquid is tentatively explained by the fact that because of a subtlety associated with the Bose statistics obeyed by the atoms, the solid and liquid wave functions are not locally very different.

Numerical analysis of fluid flow and heat transfer during melting inside a cylindrical container for thermal energy storage system

NASA Astrophysics Data System (ADS)

Bellan, Selvan; Cheok, Cho Hyun; Gokon, Nobuyuki; Matsubara, Koji; Kodama, Tatsuya

2017-06-01

This paper presents a numerical analysis of unconstrained melting of high temperature(>1000K) phase change material (PCM) inside a cylindrical container. Sodium chloride and Silicon carbide have been used as phase change material and shell of the capsule respectively. The control volume discretization approach has been used to solve the conservation equations of mass, momentum and energy. The enthalpy-porosity method has been used to track the solid-liquid interface of the PCM during melting process. Transient numerical simulations have been performed in order to study the influence of radius of the capsule and the Stefan number on the heat transfer rate. The simulation results show that the counter-clockwise Buoyancy driven convection over the top part of the solid PCM enhances the melting rate quite faster than the bottom part.

Swelling equilibrium of dentin adhesive polymers formed on the water-adhesive phase boundary: Experiments and micromechanical model

PubMed Central

Misra, Anil; Parthasarathy, Ranganathan; Ye, Qiang; Singh, Viraj; Spencer, Paulette

2013-01-01

During their application to the wet, oral environment, dentin adhesives can experience phase separation and composition change which can compromise the quality of the hybrid layer formed at the dentin-adhesive interface. The chemical composition of polymer phases formed in the hybrid layer can be represented using a ternary water-adhesive phase diagram. In this paper, these polymer phases have been characterized using a suite of mechanical tests and swelling experiments. The experimental results were evaluated using granular micromechanics based model that incorporates poro-mechanical effects and polymer-solvent thermodynamics. The variation of the model parameters and model-predicted polymer properties has been studied as a function of composition along the phase boundary. The resulting structure-property correlations provide insight into interactions occurring at the molecular level in the saturated polymer system. These correlations can be used for modeling the mechanical behavior of hybrid layer, and are expected to aid in the design and improvement of water-compatible dentin adhesive polymers. PMID:24076070

The behavior of mineral inclusions during host decomposition. A SEM-STEM study of rutile inclusions at a natural propagating corundum-spinel interface.

NASA Astrophysics Data System (ADS)

Baldwin, Lisa; Li, Chen; Habler, Gerlinde; Abart, Rainer

2017-04-01

When two neighbor phases are not in chemical equilibrium, they may react and produce a reaction rim at their interface, separating the mutually incompatible phases. At constant P-T-X conditions, such a reaction will continue until one of the reactants is completely consumed. Reaction rim growth involves transfer of chemical components across the growing rim by long-range diffusion and localized interface reactions on either side of the growing rim. Consequently, the thickness of the reaction rim will be a function of time. Yet, in order to quantify and interpret such corona structures and to define a reaction rate law, the kinetics and mechanism of rim formation must be well constrained. In particular, the coupling between long-range diffusion, and interface reaction must be known. In this contribution we focus on potential complexities associated with interface reactions. Many natural minerals contain inclusions of other phases, which in turn may influence the reaction interface propagation kinetics during host phase decomposition (Ashby et al. 1969), as a propagating reaction interface dissipates more free energy when bypassing a mineral inclusion, resulting in a locally decelerated reaction rate. Here, we report results of a SEM-STEM study of the interface between natural rutile-bearing corundum and a polycrystalline ferromagnesio-aluminate spinel that grew topotactically with respect to the corundum precursor as a consequence of its reaction with FeO and MgO from basaltic melt. Electron Backscatter Diffraction (EBSD) crystal orientation imaging revealed that the spinel rim is polycrystalline and exhibits (111) twinning that is parallel to the corundum (0001) plane. The rutile inclusions in corundum are elongated perpendicular to the corundum [0001] axis and are randomly oriented in the (0001) plane. Furthermore, they follow an oscillatory grain size distribution zonation with grain sizes being either a few tens of nanometers, or about 500 to 800 nanometers in the elongated axis. The behavior of the rutile inclusions as they are encountered by the propagating corundum-spinel reaction interface strongly depends on the inclusion size. The nano-inclusions are incorporated into the spinel rim, where -after a recrystallization and coarsening step at the reaction interface- they have a size of > 1 micrometer. There, rutiles form inclusions within spinel grains or accumulate at grain- or twin boundaries within the spinel reaction rim. In contrast, larger inclusions in corundum are collected at the reaction interface, leaving behind a largely rutile-free spinel rim. From our investigations, we conclude that the inclusion size plays an important role in the effective mechanisms of interface propagation during precursor phase decomposition. Contrastingly, the reactive interface orientation with respect to certain crystallographic planes of corundum seems not to influence the inclusion behavior.

Matching time and spatial scales of rapid solidification: dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

NASA Astrophysics Data System (ADS)

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; Fattebert, Jean-Luc; McKeown, Joseph T.

2018-01-01

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu-Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid-liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu-Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying from ˜0.1 to ˜0.6 m s-1. After an ‘incubation’ time, the velocity of the planar solid-liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Finally, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid-liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

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

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying frommore » ~0.1 to ~0.6 m s –1. After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).« less

Cr incorporated phase transformation in Y 2O 3 under ion irradiation

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

Li, Nan; Yadav, Satyesh Kumar; Xu, Yun

Under irradiation, chemical species can redistribute in ways not expected from equilibrium behavior. In oxide-dispersed ferritic alloys, the phenomenon of irradiation-induced Cr redistribution at the metal/oxide interfaces has drawn recent attention. Here, the thermal and irradiation stability of the FeCr/Y 2O 3 interface has been systematically studied. Trilayer thin films of 90 nm Fe - 20 at.% Cr (1 st layer)/100 nm Y 2O 3 (2 nd layer)/135 nm Fe - 20 at.% Cr (3 rd layer) were deposited on MgO substrates at 500 °C. After irradiation, Cr diffuses towards and enriches the FeCr/Y 2O 3 interface. Further, correlated withmore » Cr redistributed into the oxide, an amorphous layer is generated at the interface. In the Y 2O 3 layer, the original cubic phase is observed to transform to the monoclinic phase after irradiation. Meanwhile, nanosized voids, with relatively larger size at interfaces, are also observed in the oxide layer. First-principles calculations reveal that Cr substitution of Y interstitials in Y 2O 3 containing excess Y interstitials is favored and the irradiation-induced monoclinic phase enhances this process. Lastly, our findings provide new insights that may aid in the development of irradiation resistant oxide-dispersed ferritic alloys.« less

Cr incorporated phase transformation in Y2O3 under ion irradiation

PubMed Central

Li, N.; Yadav, S. K.; Xu, Y.; Aguiar, J. A.; Baldwin, J. K.; Wang, Y. Q.; Luo, H. M.; Misra, A.; Uberuaga, B. P.

2017-01-01

Under irradiation, chemical species can redistribute in ways not expected from equilibrium behavior. In oxide-dispersed ferritic alloys, the phenomenon of irradiation-induced Cr redistribution at the metal/oxide interfaces has drawn recent attention. Here, the thermal and irradiation stability of the FeCr/Y2O3 interface has been systematically studied. Trilayer thin films of 90 nm Fe - 20 at.% Cr (1st layer)/100 nm Y2O3 (2nd layer)/135 nm Fe - 20 at.% Cr (3rd layer) were deposited on MgO substrates at 500 °C. After irradiation, Cr diffuses towards and enriches the FeCr/Y2O3 interface. Further, correlated with Cr redistributed into the oxide, an amorphous layer is generated at the interface. In the Y2O3 layer, the original cubic phase is observed to transform to the monoclinic phase after irradiation. Meanwhile, nanosized voids, with relatively larger size at interfaces, are also observed in the oxide layer. First-principles calculations reveal that Cr substitution of Y interstitials in Y2O3 containing excess Y interstitials is favored and the irradiation-induced monoclinic phase enhances this process. Our findings provide new insights that may aid in the development of irradiation resistant oxide-dispersed ferritic alloys. PMID:28091522

Numerical and Experimental Investigation of Stratified Gas-Liquid Two-Phase Flow in Horizontal Circular Pipes

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

Faccini, J.L.H.; Sampaio, P.A.B. de; Su, J.

This paper reports numerical and experimental investigation of stratified gas-liquid two-phase flow in horizontal circular pipes. The Reynolds averaged Navier Stokes equations (RANS) with the k-{omega} model for a fully developed stratified gas-liquid two-phase flow are solved by using the finite element method. A smooth and horizontal interface surface is assumed without considering the interfacial waves. The continuity of the shear stress across the interface is enforced with the continuity of the velocity being automatically satisfied by the variational formulation. For each given interface position and longitudinal pressure gradient, an inner iteration loop runs to solve the nonlinear equations. Themore » Newton-Raphson scheme is used to solve the transcendental equations by an outer iteration to determine the interface position and pressure gradient for a given pair of volumetric flow rates. The interface position in a 51.2 mm ID circular pipe was measured experimentally by the ultrasonic pulse-echo technique. The numerical results were also compared with experimental results in a 21 mm ID circular pipe reported by Masala [1]. The good agreement between the numerical and experimental results indicates that the k-{omega} model can be applied for the numerical simulation of stratified gas-liquid two-phase flow. (authors)« less

Matching time and spatial scales of rapid solidification: Dynamic TEM experiments coupled to CALPHAD-informed phase-field simulations

DOE PAGES

Perron, Aurelien; Roehling, John D.; Turchi, Patrice E. A.; ...

2017-12-05

A combination of dynamic transmission electron microscopy (DTEM) experiments and CALPHAD-informed phase-field simulations was used to study rapid solidification in Cu–Ni thin-film alloys. Experiments—conducted in the DTEM—consisted of in situ laser melting and determination of the solidification kinetics by monitoring the solid–liquid interface and the overall microstructure evolution (time-resolved measurements) during the solidification process. Modelling of the Cu–Ni alloy microstructure evolution was based on a phase-field model that included realistic Gibbs energies and diffusion coefficients from the CALPHAD framework (thermodynamic and mobility databases). DTEM and post mortem experiments highlighted the formation of microsegregation-free columnar grains with interface velocities varying frommore » ~0.1 to ~0.6 m s –1. After an 'incubation' time, the velocity of the planar solid–liquid interface accelerated until solidification was complete. In addition, a decrease of the temperature gradient induced a decrease in the interface velocity. The modelling strategy permitted the simulation (in 1D and 2D) of the solidification process from the initially diffusion-controlled to the nearly partitionless regimes. Lastly, results of DTEM experiments and phase-field simulations (grain morphology, solute distribution, and solid–liquid interface velocity) were consistent at similar time (μs) and spatial scales (μm).« less

Cr incorporated phase transformation in Y 2O 3 under ion irradiation

DOE PAGES

Li, Nan; Yadav, Satyesh Kumar; Xu, Yun; ...

2017-01-16

Under irradiation, chemical species can redistribute in ways not expected from equilibrium behavior. In oxide-dispersed ferritic alloys, the phenomenon of irradiation-induced Cr redistribution at the metal/oxide interfaces has drawn recent attention. Here, the thermal and irradiation stability of the FeCr/Y 2O 3 interface has been systematically studied. Trilayer thin films of 90 nm Fe - 20 at.% Cr (1 st layer)/100 nm Y 2O 3 (2 nd layer)/135 nm Fe - 20 at.% Cr (3 rd layer) were deposited on MgO substrates at 500 °C. After irradiation, Cr diffuses towards and enriches the FeCr/Y 2O 3 interface. Further, correlated withmore » Cr redistributed into the oxide, an amorphous layer is generated at the interface. In the Y 2O 3 layer, the original cubic phase is observed to transform to the monoclinic phase after irradiation. Meanwhile, nanosized voids, with relatively larger size at interfaces, are also observed in the oxide layer. First-principles calculations reveal that Cr substitution of Y interstitials in Y 2O 3 containing excess Y interstitials is favored and the irradiation-induced monoclinic phase enhances this process. Lastly, our findings provide new insights that may aid in the development of irradiation resistant oxide-dispersed ferritic alloys.« less

Molecular discriminators using single wall carbon nanotubes

NASA Astrophysics Data System (ADS)

Bhattacharyya, Tamoghna; Dasgupta, Anjan Kr; Ranjan Ray, Nihar; Sarkar, Sabyasachi

2012-09-01

The interaction between single wall carbon nanotubes (SWNTs) and amphiphilic molecules has been studied in a solid phase. SWNTs are allowed to interact with different amphiphilic probes (e.g. lipids) in a narrow capillary interface. Contact between strong hydrophobic and amphiphilic interfaces leads to a molecular restructuring of the lipids at the interface. The geometry of the diffusion front and the rate and the extent of diffusion of the interface are dependent on the structure of the lipid at the interface. Lecithin having a linear tail showed greater mobility of the interface as compared to a branched tail lipid like dipalmitoyl phosphatidylcholine, indicating the hydrophobic interaction between single wall carbon nanotube core and the hydrophobic tail of the lipid. Solid phase interactions between SWNT and lipids can thus become a very simple but efficient means of discriminating amphiphilic molecules in general and lipids in particular.

Atomically Precise Interfaces from Non-stoichiometric Deposition

NASA Astrophysics Data System (ADS)

Nie, Yuefeng; Zhu, Ye; Lee, Che-Hui; Kourkoutis, Lena; Mundy, Julia; Junquera, Javier; Ghosez, Philippe; Baek, David; Sung, Suk Hyun; Xi, Xiaoxing; Shen, Kyle; Muller, David; Schlom, Darrell

2015-03-01

Complex oxide heterostructures display some of the most chemically abrupt, atomically precise interfaces, which is advantageous when constructing new interface phases with emergent properties by juxtaposing incompatible ground states. One might assume that atomically precise interfaces result from stoichiometric growth. Here we show that the most precise control is, however, obtained by using deliberate and specific non-stoichiometric growth conditions. For the precise growth of Srn+1TinO3n+1 Ruddlesden-Popper (RP) phases, stoichiometric deposition leads to the loss of the first RP rock-salt double layer, but growing with a strontium-rich surface layer restores the bulk stoichiometry and ordering of the subsurface RP structure. Our results dramatically expand the materials that can be prepared in epitaxial heterostructures with precise interface control--from just the n = 1 end members (perovskites) to the entire RP homologous series--enabling the exploration of novel quantum phenomena at a richer variety of oxide interfaces.

Atomically precise interfaces from non-stoichiometric deposition

NASA Astrophysics Data System (ADS)

Nie, Y. F.; Zhu, Y.; Lee, C.-H.; Kourkoutis, L. F.; Mundy, J. A.; Junquera, J.; Ghosez, Ph.; Baek, D. J.; Sung, S.; Xi, X. X.; Shen, K. M.; Muller, D. A.; Schlom, D. G.

2014-08-01

Complex oxide heterostructures display some of the most chemically abrupt, atomically precise interfaces, which is advantageous when constructing new interface phases with emergent properties by juxtaposing incompatible ground states. One might assume that atomically precise interfaces result from stoichiometric growth. Here we show that the most precise control is, however, obtained by using deliberate and specific non-stoichiometric growth conditions. For the precise growth of Srn+1TinOn+1 Ruddlesden-Popper (RP) phases, stoichiometric deposition leads to the loss of the first RP rock-salt double layer, but growing with a strontium-rich surface layer restores the bulk stoichiometry and ordering of the subsurface RP structure. Our results dramatically expand the materials that can be prepared in epitaxial heterostructures with precise interface control—from just the n=∞ end members (perovskites) to the entire RP homologous series—enabling the exploration of novel quantum phenomena at a richer variety of oxide interfaces.

Non-equilibrium phase stabilization versus bubble nucleation at a nanoscale-curved Interface

NASA Astrophysics Data System (ADS)

Schiffbauer, Jarrod; Luo, Tengfei

Using continuum dynamic van der Waals theory in a radial 1D geometry with a Lennard-Jones fluid model, we investigate the nature of vapor bubble nucleation near a heated, nanoscale-curved convex interface. Vapor bubble nucleation and growth are observed for interfaces with sufficiently large radius of curvature while phase stabilization of a superheated fluid layer occurs at interfaces with smaller radius. The hypothesis that the high Laplace pressure required for stable equilibrium of very small bubbles is responsible for phase stability is tested by effectively varying the parameter which controls liquid-vapor surface tension. In doing so, the liquid-vapor surface tension- hence Laplace pressure-is shown to have limited effect on phase stabilization vs. bubble nucleation. However, the strong dependence of nucleation on leading-order momentum transport, i.e. viscous dissipation, near the heated inner surface is demonstrated. We gratefully acknowledge ND Energy for support through the ND Energy Postdoctoral Fellowship program and the Army Research Office, Grant No. W911NF-16-1-0267, managed by Dr. Chakrapani Venanasi.

Low-temperature interface reactions in layered Au/Sb films: In situ investigation of the formation of an amorphous phase

NASA Astrophysics Data System (ADS)

Boyen, H.-G.; Cossy-Favre, A.; Oelhafen, P.; Siber, A.; Ziemann, P.; Lauinger, C.; Moser, T.; Häussler, P.; Baumann, F.

1995-01-01

Photoelectron-spectroscopy methods combined with electrical-resistance measurements were employed to study the effects of intermixing at Au/Sb interfaces at low temperatures. For the purpose of characterizing the growth processes of the intermixed phase on a ML scale, Au/Sb bilayers (layer thicknesses DAu=0.5-75 ML and DSb=150 ML) were evaporated at 77 K and the different in situ techniques allowed a comparison to vapor-quenched amorphous AuxSb100-x alloys. For Au thicknesses between 0.5 and 0.9 ML, a change from a semiconducting to a metallic behavior of the samples has been detected, as indicated by the development of a steplike photoelectron intensity at the Fermi level. Evidence has been found that for Au coverages <= 6 ML chemical reactions at the Au/Sb interface occur, leading to the formation of a homogeneously intermixed amorphous layer with a maximum thickness of about 2.3 nm and Au concentrations as high as x~=80 at. %. This latter value corresponds to the limiting Au content where amorphous alloys can be prepared at low temperature (0 at. % <=x<= 80 at. %). For nominal coverages beyond 6 ML polycrystalline Au films were formed. Consequently, Au/Sb multilayers with sufficiently small modulation lengths, which were prepared at 130 K by ion-beam sputtering, were observed to grow as a homogeneous amorphous phase over a broad range of compositions, as evidenced by in situ resistance measurements and by comparing the obtained crystallization temperatures to those of vapor-quenched amorphous alloys. Variation of the deposition temperature Ts revealed that an amorphous interface layer is only formed for Ts<= 220 K. This is consistent with the fact that for multilayers with large modulation lengths containing unreacted polycrystalline Au and Sb layers, long-range interdiffusion is found to set in at temperatures above 230 K. This interdiffusion, however, results in the formation of polycrystalline Au-Sb alloys.

Evolution of the interfacial phases in Al2O3-Kovar® joints brazed using a Ag-Cu-Ti-based alloy

NASA Astrophysics Data System (ADS)

Ali, Majed; Knowles, Kevin M.; Mallinson, Phillip M.; Fernie, John A.

2017-04-01

A systematic investigation of the brazing of Al2O3 to Kovar® (Fe-29Ni-17Co wt.%) using the active braze alloy (ABA) Ag-35.25Cu-1.75Ti wt.% has been undertaken to study the chemical reactions at the interfaces of the joints. The extent to which silica-based secondary phases in the Al2O3 participate in the reactions at the ABA/Al2O3 interface has been clarified. Another aspect of this work has been to determine the influence of various brazing parameters, such as the peak temperature, Tp, and time at Tp, τ, on the resultant microstructure. As a consequence, the microstructural evolution of the joints as a function of Tp and τ is discussed in some detail. The formation of a Fe2Ti layer on the Kovar® and its growth, along with adjacent Ni3Ti particles in the ABA, dominate the microstructural developments at the ABA/Kovar® interface. The presence of Kovar® next to the ABA does not change the intrinsic chemical reactions occurring at the ABA/Al2O3 interface. However, the extent of these reactions is limited if the purity of the Al2O3 is high, and so it is necessary to have some silica-rich secondary phase in the Al2O3 to facilitate the formation of a Ti3Cu3O layer on the Al2O3. Breakdown of the Ti3Cu3O layer, together with fracture of the Fe2Ti layer and separation of this layer from the Kovar®, has been avoided by brazing at temperatures close to the liquidus temperature of the ABA for short periods of time, e.g., for Tp between 820 and 830 °C and τ between 2 and 8 min.

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.

Hydrophone Investigations of Earthquakes and Explosion Generated High-Frequency Seismic Phases

DTIC Science & Technology

1989-06-30

stacked along three axes, a temperature sensor , a 2- component tiltmeter , and floating point analog-to-digital electronics. It is clamped inside the... sensors within the ocean- sediment-basement column in order to maximize the signal-to-noise ratio and the signal fidelity of various seismic and acoustic...improved by siting the sensors below the ocean-sediment interface. These changes are especially pronounced on horizontal sensors . Although siting the

Observation of a Rare Earth Ion–Extractant Complex Arrested at the Oil–Water Interface During Solvent Extraction

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

Bu, Wei; Yu, Hao; Luo, Guangming

2014-09-11

Selective extraction of metal ions from a complex aqueous mixture into an organic phase is used to separate toxic or radioactive metals from polluted environments and nuclear waste, as well as to produce industrially relevant metals, such as rare earth ions. Selectivity arises from the choice of an extractant amphiphile, dissolved in the organic phase, which interacts preferentially with the target metal ion. The extractant-mediated process of ion transport from an aqueous to an organic phase takes place at the aqueous–organic interface; nevertheless, little is known about the molecular mechanism of this process despite its importance. Although state-of-the-art X-ray scatteringmore » is uniquely capable of probing molecular ordering at a liquid–liquid interface with subnanometer spatial resolution, utilizing this capability to investigate interfacial dynamical processes of short temporal duration remains a challenge. We show that a temperature-driven adsorption transition can be used to turn the extraction on and off by controlling adsorption and desorption of extractants at the oil–water interface. Lowering the temperature through this transition immobilizes a supramolecular ion–extractant complex at the interface during the extraction of rare earth erbium ions. Under the conditions of these experiments, the ion–extractant complexes condense into a two-dimensional inverted bilayer, which is characterized on the molecular scale with synchrotron X-ray reflectivity and fluorescence measurements. Raising the temperature above the transition leads to Er ion extraction as a result of desorption of ion–extractant complexes from the interface into the bulk organic phase. XAFS measurements of the ion–extractant complexes in the bulk organic phase demonstrate that they are similar to the interfacial complexes.« less

Interface modulated currents in periodically proton exchanged Mg doped lithium niobate

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

Neumayer, Sabine M.; Rodriguez, Brian J., E-mail: brian.rodriguez@ucd.ie, E-mail: gallo@kth.se; Conway Institute of Biomolecular and Biomedical Research, University College Dublin, Belfield, Dublin 4

2016-03-21

Conductivity in Mg doped lithium niobate (Mg:LN) plays a key role in the reduction of photorefraction and is therefore widely exploited in optical devices. However, charge transport through Mg:LN and across interfaces such as electrodes also yields potential electronic applications in devices with switchable conductivity states. Furthermore, the introduction of proton exchanged (PE) phases in Mg:LN enhances ionic conductivity, thus providing tailorability of conduction mechanisms and functionality dependent on sample composition. To facilitate the construction and design of such multifunctional electronic devices based on periodically PE Mg:LN or similar ferroelectric semiconductors, fundamental understanding of charge transport in these materials, asmore » well as the impact of internal and external interfaces, is essential. In order to gain insight into polarization and interface dependent conductivity due to band bending, UV illumination, and chemical reactivity, wedge shaped samples consisting of polar oriented Mg:LN and PE phases were investigated using conductive atomic force microscopy. In Mg:LN, three conductivity states (on/off/transient) were observed under UV illumination, controllable by the polarity of the sample and the externally applied electric field. Measurements of currents originating from electrochemical reactions at the metal electrode–PE phase interfaces demonstrate a memresistive and rectifying capability of the PE phase. Furthermore, internal interfaces such as domain walls and Mg:LN–PE phase boundaries were found to play a major role in the accumulation of charge carriers due to polarization gradients, which can lead to increased currents. The insight gained from these findings yield the potential for multifunctional applications such as switchable UV sensitive micro- and nanoelectronic devices and bistable memristors.« less

The growth of intermetallic compounds at Sn-Ag-Cu solder/Cu and Sn-Ag-Cu solder/Ni interfaces and the associated evolution of the solder microstructure

NASA Astrophysics Data System (ADS)

Zribi, A.; Clark, A.; Zavalij, L.; Borgesen, P.; Cotts, E. J.

2001-09-01

The evolution of intermetallics at and near SnAgCu/Cu and SnAgCu/Ni interfaces was examined, and compared to the behavior, near PbSn/metal and Sn/metal interfaces. Two different solder compositions were considered, Sn93.6Ag4.7Cu1.7 and Sn95.5Ag3.5Cu1.0 (Sn91.8Ag5.1 Cu3.1 and Sn94.35Ag3.8Cu1.85 in atomic percent). In both cases, phase formation and growth at interfaces with Cu were very similar to those commonly observed for eutectic SnPb solder. However, the evolution of intermetallics at SnAgCu/Ni interfaces proved much more complex. The presence of the Cu in the solder dramatically altered the phase selectivity at the solder/Ni interface and affected the growth kinetics of intermetallics. As long as sufficient Cu was available, it would combine with Ni and Sn to form (Cu,Ni)6)Sn5 which grew instead of the Ni3Sn4 usually observed in PbSn/Ni and Sn/Ni diffusion couples. This growing phase would, however, eventually consume essentially all of the available Cu in the solder. Because the mechanical properties of Sn-Ag-Cu alloys, depend upon the Cu content, this consumption can be expected to alter the mechanical properties of these Pb-free solderjoints. After depletion of the Cu from the solder, further annealing then gradually transformed the (Cu,Ni)6Sn5 phase into a (Ni,Cu)3Sn4 phase.

Modeling mass transfer and reaction of dilute solutes in a ternary phase system by the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Fu, Yu-Hang; Bai, Lin; Luo, Kai-Hong; Jin, Yong; Cheng, Yi

2017-04-01

In this work, we propose a general approach for modeling mass transfer and reaction of dilute solute(s) in incompressible three-phase flows by introducing a collision operator in lattice Boltzmann (LB) method. An LB equation was used to simulate the solute dynamics among three different fluids, in which the newly expanded collision operator was used to depict the interface behavior of dilute solute(s). The multiscale analysis showed that the presented model can recover the macroscopic transport equations derived from the Maxwell-Stefan equation for dilute solutes in three-phase systems. Compared with the analytical equation of state of solute and dynamic behavior, these results are proven to constitute a generalized framework to simulate solute distributions in three-phase flows, including compound soluble in one phase, compound adsorbed on single-interface, compound in two phases, and solute soluble in three phases. Moreover, numerical simulations of benchmark cases, such as phase decomposition, multilayered planar interfaces, and liquid lens, were performed to test the stability and efficiency of the model. Finally, the multiphase mass transfer and reaction in Janus droplet transport in a straight microchannel were well reproduced.

The interaction of bubbles with solidification interfaces. [during coasting phase of sounding rocket flight

NASA Technical Reports Server (NTRS)

Papazian, J. M.; Wilcox, W. R.

1977-01-01

The behavior of bubbles at a dendritic solidification interface was studied during the coasting phase of a sounding rocket flight. Sequential photographs of the gradient freeze experiment showed nucleation, growth and coalescence of bubbles at the moving interface during both the low-gravity and one-gravity tests. In the one-gravity test the bubbles were observed to detach from the interface and float to the top of the melt. However, in the low-gravity tests no bubble detachment from the interface or steady state bubble motion occurred and large voids were grown into the crystal. These observations are discussed in terms of the current theory of thermal migration of bubbles and in terms of their implications on the space processing of metals.

A Physical Model for Three-Phase Compaction in Silicic Magma Reservoirs

NASA Astrophysics Data System (ADS)

Huber, Christian; Parmigiani, Andrea

2018-04-01

We develop a model for phase separation in magma reservoirs containing a mixture of silicate melt, crystals, and fluids (exsolved volatiles). The interplay between the three phases controls the dynamics of phase separation and consequently the chemical and physical evolution of magma reservoirs. The model we propose is based on the two-phase damage theory approach of Bercovici et al. (2001, https://doi.org/10.1029/2000JB900430) and Bercovici and Ricard (2003, https://doi.org/10.1046/j.1365-246X.2003.01854.x) because it offers the leverage of considering interface (in the macroscopic limit) between phases that can deform depending on the mechanical work and phase changes taking place locally in the magma. Damage models also offer the advantage that pressure is defined uniquely to each phase and does not need to be equal among phases, which will enable us to consider, in future studies, the large capillary pressure at which fluids are mobilized in mature, crystal-rich, magma bodies. In this first analysis of three-phase compaction, we solve the three-phase compaction equations numerically for a simple 1-D problem where we focus on the effect of fluids on the efficiency of melt-crystal separation considering the competition between viscous and buoyancy stresses only. We contrast three sets of simulations to explore the behavior of three-phase compaction, a melt-crystal reference compaction scenario (two-phase compaction), a three-phase scenario without phase changes, and finally a three-phase scenario with a parameterized second boiling (crystallization-induced exsolution). The simulations show a dramatic difference between two-phase (melt crystals) and three-phase (melt-crystals-exsolved volatiles) compaction-driven phase separation. We find that the presence of a lighter, significantly less viscous fluid hinders melt-crystal separation.

Structural ordering at solid-liquid interfaces in Al-Sm system: A molecular-dynamics study

DOE PAGES

Sun, Yang; Zhang, Feng; Ye, Zhuo; ...

2016-07-12

The structural ordering at solid-liquid interfaces far from equilibrium is studied with molecular dynamics simulations for the Al-Sm system. Using the van-Hove self-correlation function as the criterion to identify attachment/detachment events that occur at the interface, we are able to determine the time-dependent interface position, and characterize the detailed interfacial structure ordering surrounding the attached atoms. For the interface between an undercooled Al90Sm10 liquid and a metastable cubic structure, the solid induces the crystalline order of the cubic phase in the liquid layers, promoting the continuous growth of the crystal phase. When the same liquid is put in contact withmore » f.c.c. Al, Sm from the liquid can still attach to the solid interface despite its insolubility in the Al lattice. Non-f.c.c. order is revealed surrounding the attached Sm atoms. Lastly, we show that the local structure ordering at interface is highly correlated to solid packing and liquid ordering.« less

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

NASA Astrophysics Data System (ADS)

Kou, Jisheng; Sun, Shuyu

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng-Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from the microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young-Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young-Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young-Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.

Multi-scale diffuse interface modeling of multi-component two-phase flow with partial miscibility

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

Kou, Jisheng; Sun, Shuyu, E-mail: shuyu.sun@kaust.edu.sa; School of Mathematics and Statistics, Xi'an Jiaotong University, Xi'an 710049

2016-08-01

In this paper, we introduce a diffuse interface model to simulate multi-component two-phase flow with partial miscibility based on a realistic equation of state (e.g. Peng–Robinson equation of state). Because of partial miscibility, thermodynamic relations are used to model not only interfacial properties but also bulk properties, including density, composition, pressure, and realistic viscosity. As far as we know, this effort is the first time to use diffuse interface modeling based on equation of state for modeling of multi-component two-phase flow with partial miscibility. In numerical simulation, the key issue is to resolve the high contrast of scales from themore » microscopic interface composition to macroscale bulk fluid motion since the interface has a nanoscale thickness only. To efficiently solve this challenging problem, we develop a multi-scale simulation method. At the microscopic scale, we deduce a reduced interfacial equation under reasonable assumptions, and then we propose a formulation of capillary pressure, which is consistent with macroscale flow equations. Moreover, we show that Young–Laplace equation is an approximation of this capillarity formulation, and this formulation is also consistent with the concept of Tolman length, which is a correction of Young–Laplace equation. At the macroscopical scale, the interfaces are treated as discontinuous surfaces separating two phases of fluids. Our approach differs from conventional sharp-interface two-phase flow model in that we use the capillary pressure directly instead of a combination of surface tension and Young–Laplace equation because capillarity can be calculated from our proposed capillarity formulation. A compatible condition is also derived for the pressure in flow equations. Furthermore, based on the proposed capillarity formulation, we design an efficient numerical method for directly computing the capillary pressure between two fluids composed of multiple components. Finally, numerical tests are carried out to verify the effectiveness of the proposed multi-scale method.« less

Reaction of amorphous/crystalline SiOC/Fe interfaces by thermal annealing

DOE PAGES

Su, Qing; Zhernenkov, Mikhail; Ding, Hepeng; ...

2017-06-12

The development of revolutionary new alloys and composites is crucial to meeting materials requirements for next generation nuclear reactors. The newly developed amorphous silicon oxycarbide (SiOC) and crystalline Fe composite system has shown radiation tolerance over a wide range of temperatures. To advance understanding of this new composite, we investigate the structure and thermal stability of the interface between amorphous SiOC and crystalline Fe by combining various experimental techniques and simulation methods. We show that the SiOC/Fe interface is thermally stable up to at least 400 °C. When the annealing temperature reaches 600 °C, an intermixed region forms at thismore » interface. This region appears to be a crystalline phase that forms an incoherent interface with the Fe layer. Density functional theory (DFT) Molecular dynamics (MD) is performed on the homogeneous SiFeOC phase to study the early stages of 2 formation of the intermixed layer. Both experimental and simulation results suggest this phase has the fayalite crystal structure. As a result, the physical processes involved in the formation of the intermixed region are discussed.« less

A correlation between secondary structure and rheological properties of low-density lipoproteins at air/water interfaces.

PubMed

Khattari, Ziad

2017-09-01

The secondary structure of apolipoprotein B-100 is studied within the bulk phase and at the air/water interface. In these "in viro" experiments, infrared reflection absorption spectroscopy (IRRAS) study was performed at the air/water interface while circular dichroism (CD) was conducted in the bulk phase. In the bulk phase, the conformational structure containing a significant amount of β-structure, whereas varying amount of α-helix, unordered structures, and β-sheet were observed at the air/water interface depending on the low-density lipoprotein (LDL) film interfacial pressure. The present IRRAS results demonstrate the importance of interfacial pressure-induced structural conformations on the apoB-100. A correlation between the secondary structure of the apoB-100 protein and the monomolecular film elasticity at the air/water interface was also established. The orientation of apoB-100 with respect to the LDL film-normal was found to depend on the interfacial pressure exhibited by the monomolecular film. These results may shed light on LDL's pivotal role in the progression of atherosclerotic coronary artery disease as demonstrated previously by clinical trials.

Controllable phase transitions and novel selection rules in Josephson junctions with inherent orthogonality

NASA Astrophysics Data System (ADS)

Cheng, Qiang; Zhang, Kunhua; Ma, Hongyang

2018-03-01

We propose a new type of Josephson junction consisting of topologically nontrivial superconductors with inherent orthogonality and a ferromagnetic interface. It is found this type of junction can host rich ground states: 0 phase, π phase, 0 + π phase, φ0 phase and φ0 ± φ phase. Phase transitions can be controlled by changing the direction of the interfacial magnetization. Phase diagrams are presented in the orientation space. Novel selection rules for the lowest order current, sin ⁡ ϕ or cos ⁡ ϕ, of this kind of junction are derived. General conditions for the formation of various ground states are established, which possess guiding significance to the experimental design of required ground states for practical applications. We construct the succinct form of a Ginzburg-Landau type of free energy from the viewpoint of the interplay between topological superconductivity and ferromagnetism, which can immediately lead to the selection rules. The constructed terms are universally available to the topological Josephson junctions with or without inherent orthogonality reported recently. The spin supercurrent, its selection rules and their relations to the constructed energy are also investigated.

Charged Particles on Surfaces: Coexistence of Dilute Phases and Periodic Structures at Interfaces

NASA Astrophysics Data System (ADS)

Loverde, Sharon M.; Solis, Francisco J.; Olvera de La Cruz, Monica

2007-06-01

We consider a mixture of two immiscible oppositely charged molecules strongly adsorbed to an interface, with a neutral nonselective molecular background. We determine the coexistence between a high density ionic periodic phase and a dilute isotropic ionic phase. We use a strong segregation approach for the periodic phase and determine the one-loop free energy for the dilute phase. Lamellar and hexagonal patterns are calculated for different charge stoichiometries of the mixture. Molecular dynamics simulations exhibit the predicted phase behavior. The periodic length scale of the solid phase is found to scale as ɛ/(lBψ3/2), where ψ is the effective charge density, lB is the Bjerrum length, and ɛ is the cohesive energy.

Experimental study of the caprock / cement interface under CO2 geological storage conditions

NASA Astrophysics Data System (ADS)

Jobard, Emmanuel; Sterpenich, Jérôme; Pironon, Jacques; Randi, Aurélien; Caumon, Marie-Camille

2013-04-01

In the framework of CO2 geological storage, one of the critical point leading to possible massive CO2 leakages is the behavior of the interfaces crossed by the injection well. The lack of relevant data on the behavior of these interfaces (rock/well materials) in the presence of CO2 under high pressure and temperature conditions led to the development of a new experimental model called "Sandwich". These batch experiments consisted in putting a caprock (Callovo-Oxfordian claystone of the Paris Basin) in contact with cement (Portland class G) in the presence of supercritical CO2 with or without aqueous solution. The new experimental device was designed in order to follow the evolution of a clayey caprock, a Portland cement and their interface submitted to the acidic attack of carbonic acid through a study of the initial and final states. This model should help to document the behavior of interfaces in the proximal zone at the injection site. After one month of ageing at 80° C under 100 bar of CO2 pressure, the caprock, the cement and the interface between caprock and cement are investigated thanks to SEM, cathodoluminescence and Raman spectrometry. The main results reveal i) the influence of the presence of an aqueous solution since the carbonation mechanisms are quite different under dry and wet atmospheres, ii) the good cohesion of the different interfaces despite the carbonation of the cement, iii) the precipitation of different carbonate phases, which relates the changes in the chemistry of the solution to time, iv) the enrichment of silica in the cement phase submitted to the action of CO2 putting into evidence new mechanisms of in situ silica re-condensation, v) the very good behavior of the caprock despite the alkaline flux from cement and the acidic attack from the dissolved CO2. These experimental results will be compared to those obtained by geochemical simulations performed with PHREEQC. This study was financially supported by the French agency ANR (ANR-08-PCO2-006).

Effect of different thickness h-BN coatings on interface shear strength of quartz fiber reinforced Sisbnd Osbnd Csbnd N composite

NASA Astrophysics Data System (ADS)

Wang, Shubin; Zheng, Yu

2014-02-01

Hexagonal boron nitride (h-BN) coatings with different thickness were prepared on quartz fibers to improve mechanical properties of quartz fiber reinforced Sisbnd Osbnd Csbnd N composite. Scanning electron microscopy (SEM), push-out test and single edge notched beam (SENB) in three point bending test were employed to study morphology, interface shear strength and fracture toughness of the composite. The results showed that h-BN coatings changed the crack growth direction and weaken the interface shear strength efficiently. When the h-BN coating was 308.2 nm, the interface shear strength was about 5.2 MPa, which was about one-quarter of that of the sample without h-BN coatings. After the heating process for obtaining composite, the h-BN nanometer-sized grains would grow up to micron-sized hexagonal grains. Different thickness h-BN coatings had different structure. When the coatings were relatively thin, the hexagonal grains were single layer structure, and when the coatings were thicker, the hexagonal grains were multiple layer structure. This multiple layer interface phase would consume more power of cracks, thus interface shear strength of the composite decreased steadily with the increasing of h-BN coatings thickness. When the coating thickness was 238.8 nm, KIC reaches the peak value 3.8 MPa m1/2, which was more than two times of that of composites without h-BN coatings.

Disorder trapping by rapidly moving phase interface in an undercooled liquid

NASA Astrophysics Data System (ADS)

Galenko, Peter; Danilov, Denis; Nizovtseva, Irina; Reuther, Klemens; Rettenmayr, Markus

2017-08-01

Non-equilibrium phenomena such as the disappearance of solute drag, the origin of solute trapping and evolution of disorder trapping occur during fast transformations with originating metastable phases [D.M. Herlach, P.K. Galenko, D. Holland-Moritz, Metastable solids from undrercooled melts (Elsevier, Amsterdam, 2007)]. In the present work, a theoretical investigation of disorder trapping by a rapidly moving phase interface is presented. Using a model of fast phase transformations, a system of governing equations for the diffusion of atoms, and the evolution of both long-range order parameter and phase field variable is formulated. First numerical solutions are carried out for a congruently melting binary alloy system.

Five-parameter crystallographic characteristics of the interfaces formed during ferrite to austenite transformation in a duplex stainless steel

NASA Astrophysics Data System (ADS)

Haghdadi, N.; Cizek, P.; Hodgson, P. D.; Tari, V.; Rohrer, G. S.; Beladi, H.

2018-05-01

The crystallography of interfaces in a duplex stainless steel having an equiaxed microstructure produced through the ferrite to austenite diffusive phase transformation has been studied. The five-parameter interface character distribution revealed a high anisotropy in habit planes for the austenite-ferrite and austenite-austenite interfaces for different lattice misorientations. The austenite and ferrite habit planes largely terminated on (1 1 1) and (1 1 0) planes, respectively, for the austenite-ferrite interfaces associated with Kurdjumov-Sachs (K-S) and Nishiyama-Wasserman (N-W) orientation relationships. This was mostly attributed to the crystallographic preference associated with the phase transformation. For the austenite-ferrite interfaces with orientation relationships which are neither K-S nor N-W, both austenite and ferrite habit planes had (1 1 1) orientations. Σ3 twin boundaries comprised the majority of austenite-austenite interfaces, mostly showing a pure twist character and terminating on (1 1 1) planes due to the minimum energy configuration. The second highest populated austenite-austenite boundary was Σ9, which tended to have grain boundary planes in the tilt zone due to the geometrical constraints. Furthermore, the intervariant crystallographic plane distribution associated with the K-S orientation relationship displayed a general tendency for the austenite habit planes to terminate with the (1 1 1) orientation, mainly due to the crystallographic preference associated with the phase transformation.

First-order curvature corrections to the surface tension of multicomponent systems.

PubMed

Boltachev, Grey Sh; Baidakov, Vladimir G; Schmelzer, Jürn W P

2003-08-01

The dependence of surface tension on curvature is investigated for the case of an equilibrium phase coexistence in multicomponent systems. Employing Gibbs's method of description of heterogeneous systems, an equation is derived to determine the dependence of surface tension on curvature for widely arbitrary paths of variation of the independent thermodynamic parameters. It is supposed hereby merely that the temperature is kept constant and that the variations of the different molar fractions are such that the radius of the dividing surface varies monotonically in dependence on the change of the state parameters of the ambient phase along any of the chosen paths. In the analysis, an approach developed by Blokhuis and Bedeaux for one-component systems is utilized. It relies on the expansion of the surface free energy on curvature of the dividing surface. An equation is derived that connects the first-order correction term in the expansion with the interaction potential of the particles in the multicomponent solution and with the two-particle distribution functions in the planar interfacial layer between the two phases coexisting in equilibrium at planar interfaces. The connection of the first-order curvature correction to the surface tension and the first moment of the pressure tensor at a planar interface is analyzed as well.

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

NASA Astrophysics Data System (ADS)

Irfan, Mohammad Abdulaziz

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

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.

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

PubMed

Duan, Fei; He, Bin; Wei, Tao

2015-04-01

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

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.

Seeking simplicity for the understanding of multiphase flows

NASA Astrophysics Data System (ADS)

Stone, Howard A.

2017-10-01

Fluid mechanics is a discipline with rich phenomena, with motions occurring over an enormous range of length scales, and spanning a wide range of laminar and turbulent flows, instabilities, and applications in industry, nature, biology, and medicine. The subfield of complex fluids typically refers to those flows where the complexity is introduced, for example, by the presence of suspended particles, multiple phases, soft boundaries, and electrokinetic effects; several distinct multiphase flows of Newtonian fluids make up the examples in this article. Interfaces play a significant role and modify the flow with feedback that further changes the shapes of the interfaces. I will provide examples of our work highlighting (i) new features of classical instabilities triggered by changes in geometry, (ii) multiphase flows relevant to the design of liquid-infused substrates exhibiting effective slip while retaining the trapped liquid, and (iii) unexpected dynamics in flow at a T-junction. The interplay of experiments and mathematical models and/or simulations is critical to the new understanding developed.

An analytical approach to thermal modeling of Bridgman-type crystal growth. I - One-dimensional analysis

NASA Technical Reports Server (NTRS)

Naumann, R. J.

1982-01-01

A relatively simple one-dimensional thermal model of the Bridgman growth process has been developed which is applicable to the growth of small diameter samples with conductivities similar to those of metallic alloys. The heat flow in a translating rod is analyzed in a way that is applicable to Biot numbers less than unity. The model accommodates an adiabatic zone, different heat transfer coefficients in the hot and cold zones, and changes in sample material properties associated with phase change. The analysis is applied to several simplified cases. The effect of the rod's motion is studied in a three-zone furnace for a rod sufficiently long that end effects can be neglected; end effects are then investigated for a motionless rod. Finally, the addition of a fourth zone, an independently controlled booster heater between the main heater and the adiabatic zone, is evaluated for its ability to increase the gradient in the sample at the melt interface and to control the position of the interface.

Theoretical Investigation of Stabilizing Mechanism by Boron in Body-Centered Cubic Iron Through (Fe,Cr)23(C,B)6 Precipitates

NASA Astrophysics Data System (ADS)

Sahara, Ryoji; Matsunaga, Tetsuya; Hongo, Hiromichi; Tabuchi, Masaaki

2016-05-01

Small amounts of boron improve the mechanical properties in high-chromium ferritic heat-resistant steels. In this work, the stabilizing mechanism by boron in body-centered cubic iron (bcc Fe) through (Fe,Cr)23(C,B)6 precipitates was investigated by first-principles calculations. Formation energy analysis of (Fe,Cr)23(C,B)6 reveals that the compounds become more stable to elemental solids as the boron concentration increases. Furthermore, the interface energy of bcc Fe(110) || Fe23(C,B)6(111) also decreases with boron concentration in the compounds. The decreased interface energy caused by boron addition is explained by the balance between the change in the phase stability of the precipitates and the change in the misfit parameter for the bcc Fe matrix and the precipitates. These results show that boron stabilizes the microstructure of heat-resistant steels, which is important for understanding the origins of the creep strength in ferritic steels.

Multi-channel linear descriptors for event-related EEG collected in brain computer interface.

PubMed

Pei, Xiao-mei; Zheng, Chong-xun; Xu, Jin; Bin, Guang-yu; Wang, Hong-wu

2006-03-01

By three multi-channel linear descriptors, i.e. spatial complexity (omega), field power (sigma) and frequency of field changes (phi), event-related EEG data within 8-30 Hz were investigated during imagination of left or right hand movement. Studies on the event-related EEG data indicate that a two-channel version of omega, sigma and phi could reflect the antagonistic ERD/ERS patterns over contralateral and ipsilateral areas and also characterize different phases of the changing brain states in the event-related paradigm. Based on the selective two-channel linear descriptors, the left and right hand motor imagery tasks are classified to obtain satisfactory results, which testify the validity of the three linear descriptors omega, sigma and phi for characterizing event-related EEG. The preliminary results show that omega, sigma together with phi have good separability for left and right hand motor imagery tasks, which could be considered for classification of two classes of EEG patterns in the application of brain computer interfaces.

Cross-sectional characterization of the dewetting of a Au/Ni bilayer film.

PubMed

Cen, Xi; Thron, Andrew M; Zhang, Xinming; van Benthem, Klaus

2017-07-01

The solid state dewetting of Au/Ni bilayer films was investigated by cross-sectional transmission electron microscopy techniques, including energy-dispersive X-ray spectroscopy, electron energy-loss spectroscopy and precession electron diffraction. After annealing under high vacuum conditions the early stage of film agglomeration revealed significant changes in film morphology and chemical distribution. Both Au and Ni showed texturing. Despite the initial deposition sequence of the as-deposited Au/Ni/SiO 2 /Si interface structure, the majority of the metal/SiO 2 interface was Au/SiO 2 after annealing at 675°C for 1h. Void nucleation was predominantly observed at Au/Ni/SiO 2 triple junctions, rather than grain boundary grooving at free surface of the metal film. Detailed cross-sectional characterization reveals that the Au/Ni interface in addition to small amounts of metal alloying strongly affects film break-up and agglomeration kinetics. The formation of Au/SiO 2 interface sections is found to be energetically preferred over Ni/SiO 2 due to compressive stress in the as-deposited Ni layer. Void nucleation is observed at the film/substrate interface, while the formation of voids at Ni/Au phase boundaries inside the metal film is caused by the Kirkendall effect. Copyright © 2016 Elsevier B.V. All rights reserved.

A quasi-dynamic nonlinear finite element model to investigate prosthetic interface stresses during walking for trans-tibial amputees.

PubMed

Jia, Xiaohong; Zhang, Ming; Li, Xiaobing; Lee, Winson C C

2005-07-01

To predict the interface pressure between residual limb and prosthetic socket for trans-tibial amputees during walking. A quasi-dynamic finite element model was built based on the actual geometry of residual limb, internal bones and socket liner. To simulate the friction/slip boundary conditions between the skin and liner, automated surface-to-surface contact was used. Besides variable external loads and material inertia, the coupling between the large rigid displacement of knee joint and small elastic deformation of residual limb and prosthetic components were also considered. Interface pressure distribution was found to have the same profile during walking. The high pressures fall over popliteal depression, middle patella tendon, lateral tibia and medial tibia regions. Interface pressure predicted by static or quasi-dynamic analysis had the similar double-peaked waveform shape in stance phase. The consideration of inertial effects and motion of knee joint cause 210% average variation of the area between the pressure curve and the horizontal line of pressure threshold between two cases, even though there is only a small change in the peak pressure. The findings in this paper show that the coupling dynamic effects of inertial loads and knee flexion must be considered to study interface pressure between residual limb and prosthetic socket during walking.

Formation of intermetallics at the interface of explosively welded Ni-Al multilayered composites during annealing

NASA Astrophysics Data System (ADS)

Ogneva, T. S.; Lazurenko, D. V.; Bataev, I. A.; Mali, V. I.; Esikov, M. A.; Bataev, A. A.

2016-04-01

The Ni-Al multilayer composite was fabricated using explosive welding. The zones of mixing of Ni and Al are observed at the composite interfaces after the welding. The composition of these zones is inhomogeneous. Continuous homogeneous intermetallic layers are formed at the interface after heat treatment at 620 °C during 5 h These intermetallic layers consist of NiAl3 and Ni2Al3 phases. The presence of mixed zones significantly accelerates the growth rate of intermetallic phases at the initial stages of heating.

US NDC Modernization Iteration E2 Prototyping Report: User Interface Framework

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

Lewis, Jennifer E.; Palmer, Melanie A.; Vickers, James Wallace

2014-12-01

During the second iteration of the US NDC Modernization Elaboration phase (E2), the SNL US NDC Modernization project team completed follow-on Rich Client Platform (RCP) exploratory prototyping related to the User Interface Framework (UIF). The team also developed a survey of browser-based User Interface solutions and completed exploratory prototyping for selected solutions. This report presents the results of the browser-based UI survey, summarizes the E2 browser-based UI and RCP prototyping work, and outlines a path forward for the third iteration of the Elaboration phase (E3).

Thermotropic phase transition in an adsorbed melissic acid film at the n-hexane-water interface

NASA Astrophysics Data System (ADS)

Tikhonov, A. M.

2017-06-01

A reversible thermotropic phase transition in an adsorption melissic acid film at the interface between n-hexane and an aqueous solution of potassium hydroxide (pH ≈ 10) is investigated by X-ray reflectometry and diffuse scattering using synchrotron radiation. The experimental data indicate that the interface "freezing" transition is accompanied not only by the crystallization of the Gibbs monolayer but also by the formation of a planar smectic structure in the 300-Å-thick adsorption film; this structure is formed by 50-Å-thick layers.

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

Early Events in the Folding of an Amphipathic Peptide A Multi- Nanosecond Molecular Dynamics Study

NASA Technical Reports Server (NTRS)

Chipot, Christophe; Maigret, Bernard; Pohorille, Andrew

1999-01-01

Folding of the capped LQQLLQQLLQL peptide is investigated at the water-hexane interface by molecular dynamics simulations over 161.5 nanoseconds. Initially placed in the aqueous phase as a beta-strand, the peptide rapidly adsorbs to the interface, where it adopts an amphipathic conformation. The marginal presence of non-amphipathic structures throughout the complete trajectory indicate- that the corresponding conformations are strongly disfavored at the interface. It is further suggestive that folding in an interfacial environment proceeds through a pathway of successive amphipathic intermediates. The energetic and entropic penalties involved in the conformational changes along this pathway markedly increase the folding time-scales of LQQLLQQLLQL, explaining why the alpha-helix, the hypothesized lowest free energy structure for a sequence with a hydrophobic periodicity of 3.6, has not been reached yet. The formation of a type I beta-turn at the end of the simulation confirms the importance of such motifs as initiation sites allowing the peptide to coalesce towards a secondary structure.

Sulfidation behavior of ZnFe2O4 roasted with pyrite: Sulfur inducing and sulfur-oxygen interface exchange mechanism

NASA Astrophysics Data System (ADS)

Min, Xiaobo; Zhou, Bosheng; Ke, Yong; Chai, Liyuan; Xue, Ke; Zhang, Chun; Zhao, Zongwen; Shen, Chen

2016-05-01

The sulfidation roasting behavior was analyzed in detail to reveal the reaction mechanism. Information about the sulfidation reaction, including phase transformation, ionic migration behavior and morphological change, were obtained by XRD, 57Fe Mossbauer spectroscopy, XPS and SEM analysis. The results showed that the sulfidation of zinc ferrite is a process of sulfur inducing and sulfur-oxygen interface exchange. This process can be divided into six stages: decomposition of FeS2, formation of the oxygen-deficient environment, migration of O2- induced by S2(g), formation of ZnFe2O4-δ, migration of Fe2+ accompanied by the precipitation of ZnO, and the sulfur-oxygen interface exchange reaction. The sulfidation products were zinc blende, wurtzite, magnetite and a fraction of zinc-bearing magnetite. These findings can provide theoretical support for controlling the process during which the recovery of Zn and Fe is achieved through the combined flotation-magnetic separation process.

Fusion of vesicles with the air-water interface: the influence of polar head group, salt concentration, and vesicle size.

PubMed

Gugliotti, M; Chaimovich, H; Politi, M J

2000-02-15

Fusion of vesicles with the air-water interface and consequent monolayer formation has been studied as a function of temperature. Unilamellar vesicles of DMPC, DPPC, and DODAX (X=Cl(-), Br(-)) were injected into a subphase containing NaCl, and the surface pressure (tension) was recorded on a Langmuir Balance (Tensiometer) using the Wilhelmy plate (Ring) method. For the zwitterionic vesicles, plots of the initial surface pressure increase rate (surface tension decrease rate) as a function of temperature show a peak at the phase transition temperature (T(m)) of the vesicles, whereas for ionic ones they show a sharp rise. At high concentrations of NaCl, ionic DODA(Cl) vesicles seem to behave like zwitterionic ones, and the rate of fusion is higher at the T(m). The influence of size was studied comparing large DODA(Cl) vesicles with small sonicated ones, and no significant changes were found regarding the rate of fusion with the air-water interface.

Multiphase Interface Tracking with Fast Semi-Lagrangian Contouring.

PubMed

Li, Xiaosheng; He, Xiaowei; Liu, Xuehui; Zhang, Jian J; Liu, Baoquan; Wu, Enhua

2016-08-01

We propose a semi-Lagrangian method for multiphase interface tracking. In contrast to previous methods, our method maintains an explicit polygonal mesh, which is reconstructed from an unsigned distance function and an indicator function, to track the interface of arbitrary number of phases. The surface mesh is reconstructed at each step using an efficient multiphase polygonization procedure with precomputed stencils while the distance and indicator function are updated with an accurate semi-Lagrangian path tracing from the meshes of the last step. Furthermore, we provide an adaptive data structure, multiphase distance tree, to accelerate the updating of both the distance function and the indicator function. In addition, the adaptive structure also enables us to contour the distance tree accurately with simple bisection techniques. The major advantage of our method is that it can easily handle topological changes without ambiguities and preserve both the sharp features and the volume well. We will evaluate its efficiency, accuracy and robustness in the results part with several examples.

Direct-soldering 6061 aluminum alloys with ultrasonic coating.

PubMed

Ding, Min; Zhang, Pei-lei; Zhang, Zhen-yu; Yao, Shun

2010-02-01

In this study, the authors applied furnace soldering with ultrasonic coating method to solder 6061 aluminum alloy and investigated the effects of both coating time and soldering temperature on its properties. The following results were obtained: firstly, the solder region mainly composed of four kinds of microstructure zones: rich Sn zone, rich-Pb zone, Sn-Pb eutectic phase and rich Al zone. Meanwhile, the microanalysis identified a continuous reaction product at the alumina-solder interface as a rich-Pb zone. Therefore, the joint strength changed with soldering time and soldering temperature. Secondly, the tensile data had significantly greater variability, with values ranging from 13.99MPa to 24.74MPa. The highest value was obtained for the samples coated with Sn-Pb-Zn alloy for 45s. Fractures occurred along the solder-alumina interface for the 6061 aluminum alloy with its surface including hybrid tough fracture of dimple and tear ridge. The interface could initially strip at the rich Bi zone with the effect of shear stress.

An Ultrathin Nanoporous Membrane Evaporator.

PubMed

Lu, Zhengmao; Wilke, Kyle L; Preston, Daniel J; Kinefuchi, Ikuya; Chang-Davidson, Elizabeth; Wang, Evelyn N

2017-10-11

Evaporation is a ubiquitous phenomenon found in nature and widely used in industry. Yet a fundamental understanding of interfacial transport during evaporation remains limited to date owing to the difficulty of characterizing the heat and mass transfer at the interface, especially at high heat fluxes (>100 W/cm 2 ). In this work, we elucidated evaporation into an air ambient with an ultrathin (≈200 nm thick) nanoporous (≈130 nm pore diameter) membrane. With our evaporator design, we accurately monitored the temperature of the liquid-vapor interface, reduced the thermal-fluidic transport resistance, and mitigated the clogging risk associated with contamination. At a steady state, we demonstrated heat fluxes of ≈500 W/cm 2 across the interface over a total evaporation area of 0.20 mm 2 . In the high flux regime, we showed the importance of convective transport caused by evaporation itself and that Fick's first law of diffusion no longer applies. This work improves our fundamental understanding of evaporation and paves the way for high flux phase-change devices.

Improved Discretization of Grounding Lines and Calving Fronts using an Embedded-Boundary Approach in BISICLES

NASA Astrophysics Data System (ADS)

Martin, D. F.; Cornford, S. L.; Schwartz, P.; Bhalla, A.; Johansen, H.; Ng, E.

2017-12-01

Correctly representing grounding line and calving-front dynamics is of fundamental importance in modeling marine ice sheets, since the configuration of these interfaces exerts a controlling influence on the dynamics of the ice sheet. Traditional ice sheet models have struggled to correctly represent these regions without very high spatial resolution. We have developed a front-tracking discretization for grounding lines and calving fronts based on the Chombo embedded-boundary cut-cell framework. This promises better representation of these interfaces vs. a traditional stair-step discretization on Cartesian meshes like those currently used in the block-structured AMR BISICLES code. The dynamic adaptivity of the BISICLES model complements the subgrid-scale discretizations of this scheme, producing a robust approach for tracking the evolution of these interfaces. Also, the fundamental discontinuous nature of flow across grounding lines is respected by mathematically treating it as a material phase change. We present examples of this approach to demonstrate its effectiveness.

The determination of Volta-potentials at the metal/solution interface

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

Yakovlev, V.M.

1985-08-01

This paper discusses the effect of polar dielectric solvents on the Voltapotential component caused by the change in surface potential in sp-metals which are in contact with a solution at the point of zero charge. It is shown that this change depends relatively little on the metal and solvent. A change in potential drop occurs in the metal as a result of phase contact. This change is known to be responsible for the decrease in surface energy of the metal such as is revealed in the effect of enhanced metallic ductility during mechanical working in polar media. The conjugate effectmore » of improved wettability is seen during cathodic polarization of electrodes when the metal's surface potential also should decrease.« less

Creating physically-based three-dimensional microstructures: Bridging phase-field and crystal plasticity models.

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

Lim, Hojun; Owen, Steven J.; Abdeljawad, Fadi F.

In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct linkmore » between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.« less

Microcomputer spacecraft thermal analysis routines (MSTAR) Phase I: The user interface

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

Teti, N.M.

1993-12-31

The Microcomputer Spacecraft Thermal Analysis Routines (MSTAR) software package is being developed for NASA/Goddard Space Flight Center by Swales and Associates, Inc. (S&AI). In December 1992, S&AI was awarded a phase I Small Business Inovative Research contract fronm NASA to develop a microcomputer based thermal analysis program to replace the current SSPTA and TRASYS programs. Phase I consists of a six month effort which will focus on developing geometric model generation and visualization capabilities using a graphical user interface (GUI). The information contained in this paper encompasses the work performed during the Phase I development cycle; with emphasis on themore » development of the graphical user interface (GUI). This includes both the theory behind and specific examples of how the MSTAR GUI was implemented. Furthermore, this report discusses new applications and enhancements which will improve the capabilities and commercialization of the MSTAR program.« less

Microcomputer spacecraft thermal analysis routines (MSTAR) Phase I: The user interface

NASA Technical Reports Server (NTRS)

Teti, Nicholas M.

1993-01-01

The Microcomputer Spacecraft Thermal Analysis Routines (MSTAR) software package is being developed for NASA/Goddard Space Flight Center by Swales and Associates, Inc. (S&AI). In December 1992, S&AI was awarded a phase I Small Business Inovative Research contract fronm NASA to develop a microcomputer based thermal analysis program to replace the current SSPTA and TRASYS programs. Phase I consists of a six month effort which will focus on developing geometric model generation and visualization capabilities using a graphical user interface (GUI). The information contained in this paper encompasses the work performed during the Phase I development cycle; with emphasis on the development of the graphical user interface (GUI). This includes both the theory behind and specific examples of how the MSTAR GUI was implemented. Furthermore, this report discusses new applications and enhancements which will improve the capabilities and commercialization of the MSTAR program.

Organic molecules as tools to control the growth, surface structure, and redox activity of colloidal quantum dots.

PubMed

Weiss, Emily A

2013-11-19

In order to achieve efficient and reliable technology that can harness solar energy, the behavior of electrons and energy at interfaces between different types or phases of materials must be understood. Conversion of light to chemical or electrical potential in condensed phase systems requires gradients in free energy that allow the movement of energy or charge carriers and facilitate redox reactions and dissociation of photoexcited states (excitons) into free charge carriers. Such free energy gradients are present at interfaces between solid and liquid phases or between inorganic and organic materials. Nanostructured materials have a higher density of these interfaces than bulk materials. Nanostructured materials, however, have a structural and chemical complexity that does not exist in bulk materials, which presents a difficult challenge: to lower or eliminate energy barriers to electron and energy flux that inevitably result from forcing different materials to meet in a spatial region of atomic dimensions. Chemical functionalization of nanostructured materials is perhaps the most versatile and powerful strategy for controlling the potential energy landscape of their interfaces and for minimizing losses in energy conversion efficiency due to interfacial structural and electronic defects. Colloidal quantum dots are semiconductor nanocrystals synthesized with wet-chemical methods and coated in organic molecules. Chemists can use these model systems to study the effects of chemical functionalization of nanoscale organic/inorganic interfaces on the optical and electronic properties of a nanostructured material, and the behavior of electrons and energy at interfaces. The optical and electronic properties of colloidal quantum dots have an intense sensitivity to their surface chemistry, and their organic adlayers make them dispersible in solvent. This allows researchers to use high signal-to-noise solution-phase spectroscopy to study processes at interfaces. In this Account, I describe the varied roles of organic molecules in controlling the structure and properties of colloidal quantum dots. Molecules serve as surfactant that determines the mechanism and rate of nucleation and growth and the final size and surface structure of a quantum dot. Anionic surfactant in the reaction mixture allows precise control over the size of the quantum dot core but also drives cation enrichment and structural disordering of the quantum dot surface. Molecules serve as chemisorbed ligands that dictate the energetic distribution of surface states. These states can then serve as thermodynamic traps for excitonic charge carriers or couple to delocalized states of the quantum dot core to change the confinement energy of excitonic carriers. Ligands, therefore, in some cases, dramatically shift the ground state absorption and photoluminescence spectra of quantum dots. Molecules also act as protective layers that determine the probability of redox processes between quantum dots and other molecules. How much the ligand shell insulates the quantum dot from electron exchange with a molecular redox partner depends less on the length or degree of conjugation of the native ligand and more on the density and packing structure of the adlayer and the size and adsorption mode of the molecular redox partner. Control of quantum dot properties in these examples demonstrates that nanoscale interfaces, while complex, can be rationally designed to enhance or specify the functionality of a nanostructured system.

Minimal color-flavor-locked-nuclear interface

NASA Astrophysics Data System (ADS)

Alford, Mark; Rajagopal, Krishna; Reddy, Sanjay; Wilczek, Frank

2001-10-01

At nuclear matter density, electrically neutral strongly interacting matter in weak equilibrium is made of neutrons, protons, and electrons. At sufficiently high density, such matter is made of up, down, and strange quarks in the color-flavor-locked (CFL) phase, with no electrons. As a function of increasing density (or, perhaps, increasing depth in a compact star) other phases may intervene between these two phases, which are guaranteed to be present. The simplest possibility, however, is a single first order phase transition between CFL and nuclear matter. Such a transition, in space, could take place either through a mixed phase region or at a single sharp interface with electron-free CFL and electron-rich nuclear matter in stable contact. Here we construct a model for such an interface. It is characterized by a region of separated charge, similar to an inversion layer at a metal-insulator boundary. On the CFL side, the charged boundary layer is dominated by a condensate of negative kaons. We then consider the energetics of the mixed phase alternative. We find that the mixed phase will occur only if the nuclear-CFL surface tension is significantly smaller than dimensional analysis would indicate.

Controlling the growth of multiple ordered heteromolecular phases by utilizing intermolecular repulsion

NASA Astrophysics Data System (ADS)

Henneke, Caroline; Felter, Janina; Schwarz, Daniel; Stefan Tautz, F.; Kumpf, Christian

2017-06-01

Metal/organic interfaces and their structural, electronic, spintronic and thermodynamic properties have been investigated intensively, aiming to improve and develop future electronic devices. In this context, heteromolecular phases add new design opportunities simply by combining different molecules. However, controlling the desired phases in such complex systems is a challenging task. Here, we report an effective way of steering the growth of a bimolecular system composed of adsorbate species with opposite intermolecular interactions--repulsive and attractive, respectively. The repulsive species forms a two-dimensional lattice gas, the density of which controls which crystalline phases are stable. Critical gas phase densities determine the constant-area phase diagram that describes our experimental observations, including eutectic regions with three coexisting phases. We anticipate the general validity of this type of phase diagram for binary systems containing two-dimensional gas phases, and also show that the density of the gas phase allows engineering of the interface structure.

Evidences of a Stalled-slab Beneath the Coast Ranges, California, From Seismicity and Converted Phases

NASA Astrophysics Data System (ADS)

Cao, A.; Liu, K. H.; Gao, S. S.

2001-12-01

In spite of numerous geophysical studies, the existence and geometry of a stalled slab beneath the Coast Ranges remains vague. In this study we use the distribution of mantle earthquakes and P-to-S converted phases from tilt interfaces to address the problem. Based on the CNSS catalog, in the period between 01/1960 and 04/2001, there were about 450 earthquakes occurred at depth larger than 35 km in the vicinity of the Coast Ranges. When plotted along east-west cross-sections, those earthquakes show a clear slab-like image, similar to the upper part of classic Benioff zones along subducting oceanic slabs. One of such cross-sections, which has a width of 20 km and a latitude of 39N, is located in the so-called 'slabless window' suggested by several previous geologic and geophysic studies, implying the existence of a stalled-slab along the cross-section. The mantle earthquakes can be explained as the result of stress concentration caused by heterogeneities in elastic properties associated with the cold slab, and of changes in mineralogical phases in the upper-most mantle in and around the slab. The existence of the slab is supported by clear azimuthal variations of the amplitude and arrival time of P-to-S converted phases from a tilt interface at about 70 km depth recorded by a broadband seismic station in the area. Our analysis shows that the converted phase is probably from a subducted oceanic lithosphere dipping to the east. The strike of the slab is approximately parallel to the Coast Ranges.

Microgravity

NASA Image and Video Library

2004-04-15

The M512 Materials Processing Facility (MPF) with the M518 Multipurpose Electric Facility (MEF) tested and demonstrated a facility approach for materials process experimentation in space. It also provided a basic apparatus and a common interface for a group of metallic and nonmetallic materials experiments. The MPF consisted of a vacuum work chamber and associated mechanical and electrical controls. The M518 Multipurpose Electric Furnace (MEF) was an electric furnace system in which solidification, crystal growth, and other experiments involving phase changes were performed.

Effects of salinity and the extent of water on supercritical CO2-induced phlogopite dissolution and secondary mineral formation.

PubMed

Shao, Hongbo; Ray, Jessica R; Jun, Young-Shin

2011-02-15

To ensure the viability of geologic CO2 sequestration (GCS), we need a holistic understanding of reactions at supercritical CO2 (scCO2)-saline water-rock interfaces and the environmental factors affecting these interactions. This research investigated the effects of salinity and the extent of water on the dissolution and surface morphological changes of phlogopite [KMg2.87Si3.07Al1.23O10(F,OH)2], a model clay mineral in potential GCS sites. Salinity enhanced the dissolution of phlogopite and affected the location, shape, size, and phase of secondary minerals. In low salinity solutions, nanoscale particles of secondary minerals formed much faster, and there were more nanoparticles than in high salinity solutions. The effect of water extent was investigated by comparing scCO2-H2O(g)-phlogopite and scCO2-H2O(l)-phlogopite interactions. Experimental results suggested that the presence of a thin water film adsorbed on the phlogopite surface caused the formation of dissolution pits and a surface coating of secondary mineral phases that could change the physical properties of rocks. These results provide new information for understanding reactions at scCO2-saline water-rock interfaces in deep saline aquifers and will help design secure and environmentally sustainable CO2 sequestration projects.

Effect of Convection on Formation of Adsorbed Surfactant Film under Dynamic Change of Solution Surface Area

NASA Astrophysics Data System (ADS)

Mizev, A. I.; Bratsun, D. A.; Shmyrova, A. I.

2017-12-01

The dynamics of the formation of a surface phase in aqueous solutions of surfactants in a tray with the Langmuir barrier system during one compression-expansion cycle of the interface boundary is investigated both experimentally and theoretically. Organic salts of fatty acids such as potassium laurate, caprylate, and acetate, which are members of the same homologous series, were used as surfactants. It is experimentally determined that the dependence of the surface pressure increment measured under the maximum compression of the surface on the volume concentration has a maximum, the position of which is different for all the studied surfactant solutions. It is shown that the position of the maximum corresponds to the concentration value at which a saturated monolayer of surfactant molecules is formed at the interface boundary. A theoretical model that considers the effect of the forced convection arisen in the bulk of the solution upon changing the surface area is proposed for the interpretation of the experimental results. The model allows one to render the main kinetic characteristics of the adsorption/desorption processes involving the compounds under study. A good agreement between the theoretical and experimental results is observed, but there is a discrepancy between them when diffusion is considered to be the only way surfactant molecules are transferred into the bulk phase. Based on the data, a new method for determination of the Langmuir-Shishkovsky constant is proposed.

Tube radial distribution phenomenon with a two-phase separation solution of a fluorocarbon and hydrocarbon organic solvent mixture in a capillary tube and metal compounds separation.

PubMed

Kitaguchi, Koichi; Hanamura, Naoya; Murata, Masaharu; Hashimoto, Masahiko; Tsukagoshi, Kazuhiko

2014-01-01

A fluorocarbon and hydrocarbon organic solvent mixture is known as a temperature-induced phase-separation solution. When a mixed solution of tetradecafluorohexane as a fluorocarbon organic solvent and hexane as a hydrocarbon organic solvent (e.g., 71:29 volume ratio) was delivered in a capillary tube that was controlled at 10°C, the tube radial distribution phenomenon (TRDP) of the solvents was clearly observed through fluorescence images of the dye, perylene, dissolved in the mixed solution. The homogeneous mixed solution (single phase) changed to a heterogeneous solution (two phases) with inner tetradecafluorohexane and outer hexane phases in the tube under laminar flow conditions, generating the dynamic liquid-liquid interface. We also tried to apply TRDP to a separation technique for metal compounds. A model analyte mixture, copper(II) and hematin, was separated through the capillary tube, and detected with a chemiluminescence detector in this order within 4 min.

Microextraction in a tetrabutylammonium bromide/ammonium sulfate aqueous two-phase system and electrohydrodynamic generation of a micro-droplet.

PubMed

Song, Young Soo; Choi, Young Hoon; Kim, Do Hyun

2007-08-31

Microextraction of methyl orange in the aqueous two-phase system (ATPS) formed by dissolving tetrabutylammonium bromide (TBAB) and ammonium sulfate (AS) is reported. Methyl orange was transported from the AS-rich phase to TBAB-rich phase across the interface of the two immiscible phases. The electrohydrodynamic effect on the shape of the interface of two immiscible flows was also observed by applying dc voltage at the T-junction of the microchannel and the generation of a droplet of AS-rich phase was observed when the potential difference between positive and negative electrodes exceeds a threshold voltage. The minimum voltage necessary for the droplet generation depends on pH due to the degree of dissociation and charge accumulation.

Monolithic optical integrated control circuitry for GaAs MMIC-based phased arrays

NASA Technical Reports Server (NTRS)

Bhasin, K. B.; Ponchak, G. E.; Kascak, T. J.

1985-01-01

Gallium arsenide (GaAs) monolithic microwave integrated circuits (MMIC's) show promise in phased-array antenna applications for future space communications systems. Their efficient usage will depend on the control of amplitude and phase signals for each MMIC element in the phased array and in the low-loss radiofrequency feed. For a phased array contining several MMIC elements a complex system is required to control and feed each element. The characteristics of GaAs MMIC's for 20/30-GHz phased-array systems are discussed. The optical/MMIC interface and the desired characteristics of optical integrated circuits (OIC's) for such an interface are described. Anticipated fabrication considerations for eventual full monolithic integration of optical integrated circuits with MMIC's on a GaAs substrate are presented.

Phase change properties of Ge2Sb2Te5 compared to Ge4Sb1Te5 with respect to data storage applications

NASA Astrophysics Data System (ADS)

Friedrich, I.; Weidenhof, V.; Njoroge, W.; Franz, P.; Wuttig, M.

2000-03-01

To be able to adjust material properties to the demands of rewritable optical storage applications (high data density and transfer rates) we have investigated and compared the phase change characteristics of thin sputtered Ge2Sb2Te5- and Ge4Sb1Te5-films. Both crystallize into a rocksalt structure at 157C, and 150C, respectively. The material with the higher content of Ge shows a significantly higher activation energy (EA=3.7eV in comparison to EA=2.24eV), as confirmed by temperature dependent electrical measurements. This results in a larger incubation time for laser modification on the ns-scale. Ge2Sb2Te5 shows a second transition into a rather complex hexagonal structure at 310C (EA=3.64eV). The optical properties of both phases are slightly different. Laser modified areas are always in the first phase as confirmed by TEM and SAD. Hence there is a risk of a coexistence of two phases which would lead to an increase of the noise level in storage applications. This can be avoided by using a crystalline matrix with rocksalt structure. By capping the single phase change films with a thin dielectric layer the transition temperatures and activation energies are increasing for both materials, which might be attributed to changes of the tension state at the interface. footnotes the note goes between the ; number. set of curly braces; then put the associated URL in the set. The command may go anywhere in the abstract. the text in the first curly braces will show the printed version.

Assessing the high frequency behavior of non-polarizable electrodes for spectral induced polarization measurements

NASA Astrophysics Data System (ADS)

Abdulsamad, Feras; Florsch, Nicolas; Schmutz, Myriam; Camerlynck, Christian

2016-12-01

During the last decades, the usage of spectral induced polarization (SIP) measurements in hydrogeology and detecting environmental problems has been extensively increased. However, the physical mechanisms which are responsible for the induced polarization response over the usual frequency range (typically 1 mHz to 10-20 kHz) require better understanding. The phase shift observed at high frequencies is sometimes attributed to the so-called Maxwell-Wagner polarization which takes place when charges cross an interface. However, SIP measurements of tap water show a phase shift at frequencies higher than 1 kHz, where no Maxwell-Wagner polarization may occur. In this paper, we enlighten the possible origin of this phase shift and deduce its likely relationship with the types of the measuring electrodes. SIP Laboratory measurements of tap water using different types of measuring electrodes (polarizable and non-polarizable electrodes) are carried out to detect the origin of the phase shift at high frequencies and the influence of the measuring electrodes types on the observed complex resistivity. Sodium chloride is used to change the conductivity of the medium in order to quantify the solution conductivity role. The results of these measurements are clearly showing the impact of the measuring electrodes type on the measured phase spectrum while the influence on the amplitude spectrum is negligible. The phenomenon appearing on the phase spectrum at high frequency (> 1 kHz) whatever the electrode type is, the phase shows an increase compared to the theoretical response, and the discrepancy (at least in absolute value) increases with frequency, but it is less severe when medium conductivity is larger. Additionally, the frequency corner is shifted upward in frequency. The dependence of this phenomenon on the conductivity and the measuring electrodes type (electrode-electrolyte interface) seems to be due to some dielectric effects (as an electrical double layer of small relaxation time formed at the electrodes interface). Therefore, this dielectric response should be taken into account at high frequency to better analytically separate the medium own response from that linked to the measuring electrodes used. We modeled this effect by adding a capacitance connected in parallel with the traditional equivalent electric circuit used to describe the dielectric response of medium.

Liquid hydrogen turbopump ALS advanced development program. Volume 1: Hot fire unit

NASA Technical Reports Server (NTRS)

Lindley, Bruce

1990-01-01

The interface criteria for the Turbopump Test article (TPA) and the Component Test Facility located at NASA, Stennis Space Center is defined by this interface Control Document (ICD). TPA ICD Volume 2 is submitted for the Cold Gas Drive Turbopump Test Article, which is generally similar but incorporates certain changes, particularly in fluid requirements and in instrumentation needs. For the purposes of this ICD, the test article consists of the Hot Fire Drive Turbopump mounted on its test cart, readied for installation in the component test facility. It should be emphasized that the LH2 turbopump program is still in its early concept design phase. Design of the turbopump, test cart, and spools are subject to revisions until successful conclusion of the Detail Design Review (DDR).

Electrochemically driven emulsion inversion

NASA Astrophysics Data System (ADS)

Johans, Christoffer; Kontturi, Kyösti

2007-09-01

It is shown that emulsions stabilized by ionic surfactants can be inverted by controlling the electrical potential across the oil-water interface. The potential dependent partitioning of sodium dodecyl sulfate (SDS) was studied by cyclic voltammetry at the 1,2-dichlorobenzene|water interface. In the emulsion the potential control was achieved by using a potential-determining salt. The inversion of a 1,2-dichlorobenzene-in-water (O/W) emulsion stabilized by SDS was followed by conductometry as a function of added tetrapropylammonium chloride. A sudden drop in conductivity was observed, indicating the change of the continuous phase from water to 1,2-dichlorobenzene, i.e. a water-in-1,2-dichlorobenzene emulsion was formed. The inversion potential is well in accordance with that predicted by the hydrophilic-lipophilic deviation if the interfacial potential is appropriately accounted for.

Effects of Atmospheric Conditions and the Land/Atmospheric Interface on Transport of Chemical Vapors from Subsurface Sources

NASA Astrophysics Data System (ADS)

Rice, A. K.; Smits, K. M.; Cihan, A.; Howington, S. E.; Illangasekare, T. H.

2013-12-01

Understanding the movement of chemical vapors and gas through variably saturated soil subjected to atmospheric thermal and mass flux boundary conditions at the land/atmospheric interface is important to many applications, including landmine detection, methane leakage during natural gas production from shale and CO2 leakage from deep geologic storage. New, advanced technologies exist to sense chemical signatures and gas leakage at the land/atmosphere interface, but interpretation of sensor signals remains a challenge. Chemical vapors are subject to numerous interactions while migrating through the soil environment, masking source conditions. The process governing movement of gases through porous media is often assumed to be Fickian diffusion through the air phase with minimal quantification of other processes, such as convective gas flow and temporal or spatial variation in soil moisture. Vapor migration is affected by atmospheric conditions (e.g. humidity, temperature, wind velocity), soil thermal and hydraulic properties and contaminant properties, all of which are physically and thermodynamically coupled. The complex coupling of two drastically different flow regimes in the subsurface and atmosphere is commonly ignored in modeling efforts, or simplifying assumptions are made to treat the systems as de-coupled. Experimental data under controlled laboratory settings are lacking to refine the theory for proper coupling and complex treatment of vapor migration through porous media in conversation with atmospheric flow and climate variations. Improving fundamental understanding and accurate quantification of these processes is not feasible in field settings due to lack of controlled initial and boundary conditions and inability to fully characterize the subsurface at all relevant scales. The goal of this work is to understand the influence of changes in atmospheric conditions to transport of vapors through variably saturated soil. We have developed a tank apparatus with a network of soil and atmospheric sensors and a head space for air flow to simulate the atmospheric boundary layer. Experiments were performed under varying temperature values at the soil surface bounded by the atmospheric boundary layer. The model of Smits et al. [2011], accounting for non-equilibrium phase change and coupled heat, water vapor and liquid water flux through soil, was amended to include organic vapor in the gas phase and migration mechanisms often overlooked in models (thermal and Knudsen diffusion, density driven advection). Experimental results show increased vapor mass flux across the soil/atmospheric interface due to heat applied from the atmosphere and coupling of heat and mass transfer in the shallow subsurface for both steady and diurnal temperature patterns. Comparison of model results to experimental data shows dynamic interactions between transport in porous media and boundary conditions. Results demonstrate the value of considering interactions of the atmosphere and subsurface to better understand chemical gas transport through unsaturated soils and the land/atmospheric interface.

Synergistic effect of dicarbollide anions in liquid-liquid extraction: a molecular dynamics study at the octanol-water interface.

PubMed

Chevrot, G; Schurhammer, R; Wipff, G

2007-04-28

We report a molecular dynamics study of chlorinated cobalt bis(dicarbollide) anions [(B(9)C(2)H(8)Cl(3))(2)Co](-)"CCD(-)" in octanol and at the octanol-water interface, with the main aim to understand why these hydrophobic species act as strong synergists in assisted liquid-liquid cation extraction. Neat octanol is quite heterogeneous and is found to display dual solvation properties, allowing to well solubilize CCD(-), Cs(+) salts in the form of diluted pairs or oligomers, without displaying aggregation. At the aqueous interface, octanol behaves as an amphiphile, forming either monolayers or bilayers, depending on the initial state and confinement conditions. In biphasic octanol-water systems, CCD(-) anions are found to mainly partition to the organic phase, thus attracting Cs(+) or even more hydrophilic counterions like Eu(3+) into that phase. The remaining CCD(-) anions adsorb at the interface, but are less surface active than at the chloroform interface. Finally, we compare the interfacial behavior of the Eu(BTP)(3)(3+) complex in the absence and in the presence of CCD(-) anions and extractant molecules. It is found that when the CCD(-)'s are concentrated enough, the complex is extracted to the octanol phase. Otherwise, it is trapped at the interface, attracted by water. These results are compared to those obtained with chloroform as organic phase and discussed in the context of synergistic effect of CCD(-) in liquid-liquid extraction, pointing to the importance of dual solvation properties of octanol and of the hydrophobic character of CCD(-) for synergistic extraction of cations.

Ultramicrowave communications system, phase 2

NASA Technical Reports Server (NTRS)

1980-01-01

Communications system design was completed and reviewed. Minor changes were made in order to make it more cost effective and to increase design flexibility. System design activities identified the techniques and procedures to generate and monitor high data rate test signals. Differential bi-phase demodulation is the proposed method for this system. The mockup and packaging designs were performed, and component layout and interconnection constraints were determined, as well as design drawings for dummy parts of the system. The possibility of adding a low cost option to the transceiver system was studied. The communications program has the advantage that new technology signal processing devices can be readily interfaced with the existing radio frequency subsystem to produce a short range radar.

Evolution of Grain Interfaces in Annealed Duplex Stainless Steel after Parallel Cross Rolling and Direct Rolling

PubMed Central

Wang, Ming; Li, Haoqing; Tian, Yujing; Guo, Hong; Fang, Xiaoying; Guo, Yuebin

2018-01-01

Changes in various grain interfaces, including the grain boundary and phase boundary, are a strong indication of microstructural changes, particularly ultra-fined grains achieved by large strain deformation and subsequent annealing. After direct rolling and cross rolling with the same strain of ε = 2, the distributions of the interfaces in annealed UNS S32304 duplex stainless steel were investigated using electron backscatter diffraction (EBSD) in this study. The ferrite experienced continued recovery, and a high density of low-angle grain boundaries (LAGBs) was produced. The percentage and number of twin boundaries (TBs) and LAGBs varied within the austenite. TBs were frequently found within austenite, showing a deviation from the Kurdjumov-Sachs (K-S) orientation relationship (OR) with ferrite matrix. However, LAGBs usually occur in austenite, with the K-S OR in the ferrite matrix. LAGBs were prevalent in the precipitated austenite grains, and therefore a strong texture was introduced in the cross-rolled and annealed samples, in which the precipitated austenite readily maintained the K-S OR in the ferrite matrix. By contrast, more TBs and a less robust texture were found in the precipitated austenite in direct-rolled and annealed samples, deviating from the K-S OR. PMID:29772723

Numerical simulation of one-dimensional heat transfer in composite bodies with phase change. M.S. Thesis, 1980 Final Report; [wing deicing pads

NASA Technical Reports Server (NTRS)

Dewitt, K. J.; Baliga, G.

1982-01-01

A numerical simulation was developed to investigate the one dimensional heat transfer occurring in a system composed of a layered aircraft blade having an ice deposit on its surface. The finite difference representation of the heat conduction equations was done using the Crank-Nicolson implicit finite difference formulation. The simulation considers uniform or time dependent heat sources, from heaters which can be either point sources or of finite thickness. For the ice water phase change, a numerical method which approximates the latent heat effect by a large heat capacity over a small temperature interval was applied. The simulation describes the temperature profiles within the various layers of the de-icer pad, as well as the movement of the ice water interface. The simulation could also be used to predict the one dimensional temperature profiles in any composite slab having different boundary conditions.

Benard convection in binary mixtures with Soret effects and solidification

NASA Technical Reports Server (NTRS)

Zimmermann, G.; Mueller, U.; Davis, S. H.

1992-01-01

Benard convection was studied in a two-component liquid which displayed Soret effects (Soret, 1879; DeGroot and Mazur, 1969) and in which the temperatures of the horizontal boundaries spanned the solidification temperature of the mixture. A steady basic state was observed, in which the layer is partly liquid (near the lower, heated plate) and partly solid (near the upper, cooled plate) with the interface being planar, and in which all transport is by conduction and diffusion. Linear stability of the basic state was examined to determine how the presence of solid and the ability of the material to solidify or melt under disturbance affects the critical conditions from the onset of instability. The theoretical results obtained for cases when the phase change is absent and when the Soret effects are absent (but the phase change is present) are compared with an experiment using alcohol-water mixtures.

Enhanced performance and interfacial investigation of mineral-based composite phase change materials for thermal energy storage.

PubMed

Li, Chuanchang; Fu, Liangjie; Ouyang, Jing; Yang, Huaming

2013-01-01

A novel mineral-based composite phase change materials (PCMs) was prepared via vacuum impregnation method assisted with microwave-acid treatment of the graphite (G) and bentonite (B) mixture. Graphite and microwave-acid treated bentonite mixture (GBm) had more loading capacity and higher crystallinity of stearic acid (SA) in the SA/GBm composite. The SA/GBm composite showed an enhanced thermal storage capacity, latent heats for melting and freezing (84.64 and 84.14 J/g) was higher than those of SA/B sample (48.43 and 47.13 J/g, respectively). Addition of graphite was beneficial to the enhancement in thermal conductivity of the SA/GBm composite, which could reach 0.77 W/m K, 31% higher than SA/B and 196% than pure SA. Furthermore, atomic-level interfaces between SA and support surfaces were depicted, and the mechanism of enhanced thermal storage properties was in detail investigated.

All-fiber orbital angular momentum mode generation and transmission system

NASA Astrophysics Data System (ADS)

Heng, Xiaobo; Gan, Jiulin; Zhang, Zhishen; Qian, Qi; Xu, Shanhui; Yang, Zhongmin

2017-11-01

We proposed and demonstrated an all-fiber system for generating and transmitting orbital angular momentum (OAM) mode light. A specially designed multi-core fiber (MCF) was used to endow with guide modes different phase change and two tapered transition regions were used for providing low-loss interfaces between different fiber structures. By arranging the refractive index distribution among the multi-cores and controlling the length of MCF, which essentially change the phase difference between the neighboring cores, OAM modes with different topological charge l can be generated selectively. Through two tapered transition regions, the non-OAM mode light can be effectively injected into the MCF and the generated OAM mode light can be easily launched into OAM mode supporting fiber for long distance and high purity transmission. Such an all-fiber OAM mode generation and transmission system owns the merits of flexibility, compactness, portability, and would have practical application value in OAM optical fiber communication systems.

Viewpoint 9--molecular structure of aqueous interfaces

NASA Technical Reports Server (NTRS)

Pohorille, A.; Wilson, M. A.

1993-01-01

In this review we summarize recent progress in our understanding of the structure of aqueous interfaces emerging from molecular level computer simulations. It is emphasized that the presence of the interface induces specific structural effects which, in turn, influence a wide variety of phenomena occurring near the phase boundaries. At the liquid-vapor interface, the most probable orientations of a water molecule is such that its dipole moment lies parallel to the interface, one O-H bond points toward the vapor and the other O-H bond is directed toward the liquid. The orientational distributions are broad and slightly asymmetric, resulting in an excess dipole moment pointing toward the liquid. These structural preferences persist at interfaces between water and nonpolar liquids, indicating that the interactions between the two liquids in contact are weak. It was found that liquid-liquid interfaces are locally sharp but broadened by capillary waves. One consequence of anisotropic orientations of interfacial water molecules is asymmetric interactions, with respect to the sign of the charge, of ions with the water surface. It was found that even very close to the surface ions retain their hydration shells. New features of aqueous interfaces have been revealed in studies of water-membrane and water-monolayer systems. In particular, water molecules are strongly oriented by the polar head groups of the amphiphilic phase, and they penetrate the hydrophilic head-group region, but not the hydrophobic core. At infinite dilution near interfaces, amphiphilic molecules exhibit behavior different from that in the gas phase or in bulk water. This result sheds new light on the nature of hydrophobic effect in the interfacial regions. The presence of interfaces was also shown to affect both equilibrium and dynamic components of rates of chemical reactions. Applications of continuum models to interfacial problems have been, so far, unsuccessful. This, again, underscores the importance of molecular-level information about interfaces.

Phase field approaches of bone remodeling based on TIP

NASA Astrophysics Data System (ADS)

Ganghoffer, Jean-François; Rahouadj, Rachid; Boisse, Julien; Forest, Samuel

2016-01-01

The process of bone remodeling includes a cycle of repair, renewal, and optimization. This adaptation process, in response to variations in external loads and chemical driving factors, involves three main types of bone cells: osteoclasts, which remove the old pre-existing bone; osteoblasts, which form the new bone in a second phase; osteocytes, which are sensing cells embedded into the bone matrix, trigger the aforementioned sequence of events. The remodeling process involves mineralization of the bone in the diffuse interface separating the marrow, which contains all specialized cells, from the newly formed bone. The main objective advocated in this contribution is the setting up of a modeling and simulation framework relying on the phase field method to capture the evolution of the diffuse interface between the new bone and the marrow at the scale of individual trabeculae. The phase field describes the degree of mineralization of this diffuse interface; it varies continuously between the lower value (no mineral) and unity (fully mineralized phase, e.g. new bone), allowing the consideration of a diffuse moving interface. The modeling framework is the theory of continuous media, for which field equations for the mechanical, chemical, and interfacial phenomena are written, based on the thermodynamics of irreversible processes. Additional models for the cellular activity are formulated to describe the coupling of the cell activity responsible for bone production/resorption to the kinetics of the internal variables. Kinetic equations for the internal variables are obtained from a pseudo-potential of dissipation. The combination of the balance equations for the microforce associated to the phase field and the kinetic equations lead to the Ginzburg-Landau equation satisfied by the phase field with a source term accounting for the dissipative microforce. Simulations illustrating the proposed framework are performed in a one-dimensional situation showing the evolution of the diffuse interface separating new bone from marrow.

Water penetration/accommodation and phase behaviour of the neutral Langmuir monolayer at the air/water interface probed with sum frequency generation vibrational spectroscopy (SFG-VS).

PubMed

Zhang, Zhen; Zheng, De-Sheng; Guo, Yuan; Wang, Hong-Fei

2009-02-14

A strong and broad hydrogen bonded O-H band around 3520 cm(-1) is observed in the insoluble monolayer of the neutral liquid crystal molecules of 4''-n-pentyl-4-p-cyanobiphenyl (5CB) and 4''-n-octyl-4-p-cyanobiphenyl (8CB) throughout the whole surface density range, but not in the 4-pentyl-4'-cyanoterphenyl (5CT) monolayer, at the air/water interface. This novel spectral feature suggests the existence of an oriented water cluster species which has penetrated or accommodated into the Langmuir monolayer of the 8CB and 5CB molecules. This finding provided a molecular level mechanism for the stark difference in the phase behaviour between the CB and CT insoluble Langmuir monolayers at the air/water interface. It also calls for attention to the details of the specific water-surface interaction in mediating the structure and the phase behaviour of the molecular assemblies at the heterogeneous aqueous interfaces.

Dynamic failure in two-phase materials

DOE PAGES

Fensin, S. J.; Walker, E. K.; Cerreta, E. K.; ...

2015-12-21

Previous experimental research has shown that microstructural features such as interfaces, inclusions, vacancies, and heterogeneities can all act as voidnucleation sites. However, it is not well understood how important these interfaces are to damage evolution and failure as a function of the surrounding parentmaterials. In this work, we present results on three different polycrystallinematerials: (1) Cu, (2) Cu-24 wt. %Ag, and (3) Cu-15 wt. %Nb which were studied to probe the influence of bi-metal interfaces onvoidnucleation and growth. These materials were chosen due to the range of difference in structure and bulk properties between the two phases. The initial resultsmore » suggest that when there are significant differences between the bulk properties (for example: stacking fault energy, melting temperature, etc.) the type of interface between the two parent materials does not principally control the damage nucleation and growth process. Rather, it is the “weaker” material that dictates the dynamic spall strength of the overall two-phase material.« less

On the roles of solid wall in the thermal analysis of micro heat pipes

NASA Astrophysics Data System (ADS)

Hung, Yew Mun

Micro heat pipe is a small-scale passive heat transfer device of very high thermal conductance that uses phase change and circulation of its working fluid to transfer thermal energy. Different from conventional heat pipe, a micro heat pipe does not contain any wick structure. In this thesis, a one-dimensional, steady-state mathematical model of a single triangular micro heat pipe is developed, with the main purpose of establishing a series of analytical studies on the roles of the solid wall of micro heat pipes in conjunction with the characterization of the thermal performance under the effects of various design and operational parameters. The energy equation of the solid wall is solved analytically to obtain the temperature distribution. The liquid phase is coupled with the solid wall through the continuity of heat flux at their interface, and the continuity, momentum and energy equations of the liquid and vapour phases, together with the Young-Laplace equation for capillary pressure, are solve numerically to yield the heat and fluid flow characteristics of the micro heat pipe. By coupling this mathematical model with the phase-change interfacial resistance model, the relationships for the axial temperature distributions of the liquid and vapour phases throughout the longitudinal direction of a micro heat pipe are also formulated. Four major aspects associated with the operational performance of micro heat pipes are discussed. Firstly, the investigation of the effects of axial conduction in the solid wall reveals that the presence of the solid wall induces change in the phase-change heat transport of the working fluid besides facilitating axial heat conduction in the solid wall. The analysis also highlights the effects of the thickness and thermal conductivity of the solid wall on the axial temperature distribution of solid wall, in the wake of the effects of the axial heat conduction induced on the phase-change heat transport of the working fluid. Secondly, analysis on thermal performance and physical phenomena of an overloaded micro heat pipes incorporating the effects of axial conduction in the solid wall is carried out. The thermal effects of the solid material are investigated and it is observed that the behaviour of the solid wall temperature distribution varies drastically as the applied heat load exceeds the heat transport capacity. The abrupt change in the temperature profile of an overloaded micro heat pipe is of considerable practical significance in which the occurrence of dryout can be identified by physically measuring the solid wall temperatures along the axial direction. Thirdly, by taking into account the axial conduction in the solid wall, the effect of gravity on the thermal performance of an inclined micro heat pipe is explored. Attributed to the occurrence of dryout, an abrupt temperature rise is observed at the evaporator end when the micro heat pipe is negatively inclined. Therefore, the orientation of a micro heat pipe can be determined by physically measuring the solid wall temperature. Lastly, by coupling the heat transfer model of phase-change phenomena at the liquid-vapour interface, the model with axial conduction in the solid wall of the micro heat pipe is extended to predict the axial liquid and vapour temperature distributions of the working fluid, which is useful for the verification of certain assumptions made in the derivation of the mathematical model besides for analyzing the heat transfer characteristics of the evaporation process.

Surface morphology and structure of Ge layer on Si(111) after solid phase epitaxy

NASA Astrophysics Data System (ADS)

Yoshida, Ryoma; Tosaka, Aki; Shigeta, Yukichi

2018-05-01

The surface morphology change of a Ge layer on a Si(111) surface formed by solid phase epitaxy has been investigated with a scanning tunneling microscope (STM). The Ge film was deposited at room temperature and annealed at 400 °C or 600 °C. The STM images of the sample surface after annealing at 400 °C show a flat wetting layer (WL) with small three-dimensional islands on the WL. After annealing at 600 °C, the STM images show a surface roughening with large islands. From the relation between the average height of the roughness and the deposited layer thickness, it is confirmed that the diffusion of Ge atoms becomes very active at 600 °C. The Si crystal at the interface is reconstructed and the intermixing occurs over 600 °C. However, the intermixing is fairly restricted in the solid phase epitaxy growth at 400 °C. The surface morphology changes with the crystallization at 400 °C are discussed by the shape of the islands formed on the WL surface. It is shown that the diffusion of the Ge atoms in the amorphous phase is active even at 400 °C.

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.

Dependence of reflection and transmission of soliton on angle of incidence at an interface between chalcogenide fibre and gallium nanoparticle film by phase plane trajectories

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

Naruka, Preeti, E-mail: preety-naruka@Yyahoo.co.in; Bissa, Shivangi; Nagar, A. K.

In the present paper, we study propagation of a soliton at an interface formed between special type of chalcogenide fibre and gallium in three different phases with the help of equivalent particle theory. Critical angle of incidence and critical power required for transmission and reflection of soliton beam have investigated. Here it is found that if the incident angle of the beam or initial velocity of the equivalent particle is insufficient to overcome the maximum increase in potential energy then the particle (light beam) is reflected by the interface and if this incident angle is greater than a critical anglemore » then light beam will be transmitted by the interface. From an equation these critical angles for α-gallium, one of a metastable phase and liquid gallium are calculated and concluded that at large incident angles, the soliton is transmitted through the boundary, whereas at small incidence angles the soliton get reflected on keeping the power of incident beam constant. These results are explained by phase plane trajectories of the effective potential which are experimentally as well as theoretically proved.« less

Influence of phase transition on the instability of a liquid-vapor interface in a gravitational field

NASA Astrophysics Data System (ADS)

Konovalov, V. V.; Lyubimov, D. V.; Lyubimova, T. P.

2017-06-01

This study is concerned with the linear stability of the horizontal interface between thick layers of a viscous heat-conducting liquid and its vapor in a gravitational field subject to phase transition. We consider the case when the hydrostatic base state is consistent with a balanced heat flux at the liquid-vapor interface. The corrections to the growth rate of the most dangerous perturbations and cutoff wave number, characterizing the influence of phase transition on the Rayleigh-Taylor instability, are found to be different from the data in the literature. Most of the previous results were obtained in the framework of a quasiequilibrium approximation, which had been shown to conform to the limit of thin media layers under equality of the interface temperature to a saturation temperature. The main difference from the results obtained with the quasiequilibrium approach is new values of the proportionality coefficients that correlate our corrections with the intensity of weak heating. Moreover, at large values of the heat flux rate, when deviations from the approximate linear law are important, the effect of phase transition is limited and does not exceed the size of the vapor viscosity effect.

Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

DOE PAGES

Shao, Lin; Chen, Di; Wei, Chaochen; ...

2014-10-01

We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reachmore » the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.« less

Polymer Brush Grafted Nanoparticles and Their Impact on the Morphology Evolution of Polymer Blend Films

NASA Astrophysics Data System (ADS)

Chung, Hyun-Joong; Ohno, Kohji; Composto, Russell

2013-03-01

We present an novel pathway to control the location of nanoparticles (NPs) in phase-separating polymer blend films containing poly(methyl methacrylate) (PMMA) and poly(styrene-ran-acrylonitrile) (SAN). Because hydrophobic polymer phases have a small interfacial energy, ~1 mJ/m2, subtle changes in the NP surface functionality can be used to guide NPs to either the interface between immiscible polymers or into one of the phases. Based on this idea, we designed a class of NPs grafted with PMMA brushes. These PMMA brushes were grown from the NP surface by atom transfer radical polymerization (ATRP), which results in chains terminated with chlorine atoms. The chain end can be substituted with protons (H) by dehalogenation. As a result, the NPs are strongly segregated at the interface when grafted PMMA chains are short (Mn =1.8K) and the end group is Cl, whereas NPs partition into PMMA-rich phase when chains are long (Mn =160K) and/or when chains are terminated with hydrogen. The Cl end groups and shorter chain length cause an increase in surface energy for the NPs. The increase in surface energy of short-chained NPs can be attributed to (i) an extended brush conformation (entropic) and/or (ii) a high density of ``unfavorable'' end groups (enthalpic). Finally, the impact of NPs on the morphological evolution of the polymer blend films will be discussed. Ref: H.-J.Chung et al., ACS Macro Lett. 1(1), 252-256 (2012).

Innovative Phase Change Thermal Energy Storage Solution for Baseload Power Phase 1 Final Report

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

Qiu, Songgang

2013-05-15

The primary purpose of this project is to develop and validate an innovative, scalable phase change salt thermal energy storage (TES) system that can interface with Infinia’s family of free-piston Stirling engines (FPSE). This TES technology is also appropriate for Rankine and Brayton power converters. Solar TES systems based on latent heat of fusion rather than molten salt temperature differences, have many advantages that include up to an order of magnitude higher energy storage density, much higher temperature operation, and elimination of pumped loops for most of Infinia’s design options. DOE has funded four different concepts for solar phase changemore » TES, including one other Infinia awarded project using heat pipes to transfer heat to and from the salt. The unique innovation in this project is an integrated TES/pool boiler heat transfer system that is the simplest approach identified to date and arguably has the best potential for minimizing the levelized cost of energy (LCOE). The Phase 1 objectives are to design, build and test a 1-hour TES proof-of-concept lab demonstrator integrated with an Infinia 3 kW Stirling engine, and to conduct a preliminary design of a 12-hour TES on-sun prototype.« less

In vitro toxicity testing of cigarette smoke based on the air-liquid interface exposure: A review.

PubMed

Li, Xiang

2016-10-01

Cigarette smoke is a complex aerosol comprising particulate phase and gaseous vapour phase. The air-liquid interface exposure provides a possible technical means to implement whole smoke exposure for the assessment of tobacco products. In this review, the research progress in the in vitro toxicity testing of cigarette smoke based on the air-liquid interface exposure is summarized. The contents presented involve mainly cytotoxicity, genotoxicity, oxidative stress, inflammation, systems toxicology, 3D culture and cigarette smoke dosimetry related to cigarette smoke, as well as the assessment of electronic cigarette aerosol. Prospect of the application of the air-liquid interface exposure method in assessing the biological effects of tobacco smoke is discussed. Copyright © 2016 Elsevier Ltd. All rights reserved.

Hyperbolic Interfaces

NASA Astrophysics Data System (ADS)

Giomi, Luca

2012-09-01

Fluid interfaces, such as soap films, liquid droplets, or lipid membranes, are known to give rise to several special geometries, whose complexity and beauty continue to fascinate us, as observers of the natural world, and challenge us as scientists. Here I show that a special class of surfaces of constant negative Gaussian curvature can be obtained in fluid interfaces equipped with an orientational ordered phase. These arise in various soft and biological materials, such as nematic liquid crystals, cytoskeletal assemblies, or hexatic colloidal suspensions. The purely hyperbolic morphology originates from the competition between surface tension, that reduces the area of the interface at the expense of increasing its Gaussian curvature, and the orientational elasticity of the ordered phase, that in turn suffers for the distortion induced by the underlying curvature.

Space transportation system payload interface verification

NASA Technical Reports Server (NTRS)

Everline, R. T.

1977-01-01

The paper considers STS payload-interface verification requirements and the capability provided by STS to support verification. The intent is to standardize as many interfaces as possible, not only through the design, development, test and evaluation (DDT and E) phase of the major payload carriers but also into the operational phase. The verification process is discussed in terms of its various elements, such as the Space Shuttle DDT and E (including the orbital flight test program) and the major payload carriers DDT and E (including the first flights). Five tools derived from the Space Shuttle DDT and E are available to support the verification process: mathematical (structural and thermal) models, the Shuttle Avionics Integration Laboratory, the Shuttle Manipulator Development Facility, and interface-verification equipment (cargo-integration test equipment).

Dynamics of emulsification and demulsification of water in crude oil emulsions

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

Bhardwaj, A.; Hartland, S.

1994-05-01

The effect of aging on the crude oil/water interface has been studied, and the slow buildup of natural surfactants present in the crude oil at the interface was observed. Interfacial tension data and microvideography were used to evaluate the buildup of surface concentration. The methodology adopted in this work permits the calculation of the actual surface excess of natural surfactants at the crude oil/water interface, without having to isolate them from the crude oil and without knowing their bulk molar concentration. The rate of adsorption of demulsifier at the interface was determined by measurement of the dynamic interfacial tension bymore » a microprocessor-controlled drop volume method apparatus. Temperature, concentration, and nature of the medium (crude oil or brine) were found to be very important parameters governing adsorption of demulsifier at the interface. Diffusion of the emulsifier to the oil/water interface was much slower when demulsifier was present in the oil phase than when it was present in the water phase.« less

Nonlinear fractional waves at elastic interfaces

NASA Astrophysics Data System (ADS)

Kappler, Julian; Shrivastava, Shamit; Schneider, Matthias F.; Netz, Roland R.

2017-11-01

We derive the nonlinear fractional surface wave equation that governs compression waves at an elastic interface that is coupled to a viscous bulk medium. The fractional character of the differential equation comes from the fact that the effective thickness of the bulk layer that is coupled to the interface is frequency dependent. The nonlinearity arises from the nonlinear dependence of the interface compressibility on the local compression, which is obtained from experimental measurements and reflects a phase transition at the interface. Numerical solutions of our nonlinear fractional theory reproduce several experimental key features of surface waves in phospholipid monolayers at the air-water interface without freely adjustable fitting parameters. In particular, the propagation distance of the surface wave abruptly increases at a threshold excitation amplitude. The wave velocity is found to be of the order of 40 cm/s in both experiments and theory and slightly increases as a function of the excitation amplitude. Nonlinear acoustic switching effects in membranes are thus shown to arise purely based on intrinsic membrane properties, namely, the presence of compressibility nonlinearities that accompany phase transitions at the interface.

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.

Process boundaries of irreversible scCO2 -assisted phase separation in biphasic whole-cell biocatalysis.

PubMed

Brandenbusch, Christoph; Glonke, Sebastian; Collins, Jonathan; Hoffrogge, Raimund; Grunwald, Klaudia; Bühler, Bruno; Schmid, Andreas; Sadowski, Gabriele

2015-11-01

The formation of stable emulsions in biphasic biotransformations catalyzed by microbial cells turned out to be a major hurdle for industrial implementation. Recently, a cost-effective and efficient downstream processing approach, using supercritical carbon dioxide (scCO2 ) for both irreversible emulsion destabilization (enabling complete phase separation within minutes of emulsion treatment) and product purification via extraction has been proposed by Brandenbusch et al. (2010). One of the key factors for a further development and scale-up of the approach is the understanding of the mechanism underlying scCO2 -assisted phase separation. A systematic approach was applied within this work to investigate the various factors influencing phase separation during scCO2 treatment (that is pressure, exposure of the cells to CO2 , and changes of cell surface properties). It was shown that cell toxification and cell disrupture are not responsible for emulsion destabilization. Proteins from the aqueous phase partially adsorb to cells present at the aqueous-organic interface, causing hydrophobic cell surface characteristics, and thus contribute to emulsion stabilization. By investigating the change in cell-surface hydrophobicity of these cells during CO2 treatment, it was found that a combination of catastrophic phase inversion and desorption of proteins from the cell surface is responsible for irreversible scCO2 mediated phase separation. These findings are essential for the definition of process windows for scCO2 -assisted phase separation in biphasic whole-cell biocatalysis. © 2015 Wiley Periodicals, Inc.

Intrinsic Origins of Crack Generation in Ni-rich LiNi0.8Co0.1Mn0.1O2 Layered Oxide Cathode Material.

PubMed

Lim, Jin-Myoung; Hwang, Taesoon; Kim, Duho; Park, Min-Sik; Cho, Kyeongjae; Cho, Maenghyo

2017-01-03

Ni-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 layered oxide cathodes have been highlighted for large-scale energy applications due to their high energy density. Although its specific capacity is enhanced at higher voltages as Ni ratio increases, its structural degradation due to phase transformations and lattice distortions during cycling becomes severe. For these reasons, we focused on the origins of crack generation from phase transformations and structural distortions in Ni-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 using multiscale approaches, from first-principles to meso-scale phase-field model. Atomic-scale structure analysis demonstrated that opposite changes in the lattice parameters are observed until the inverse Li content x = 0.75; then, structure collapses due to complete extraction of Li from between transition metal layers. Combined-phase investigations represent the highest phase barrier and steepest chemical potential after x = 0.75, leading to phase transformations to highly Li-deficient phases with an inactive character. Abrupt phase transformations with heterogeneous structural collapse after x = 0.81 (~220 mAh g -1 ) were identified in the nanodomain. Further, meso-scale strain distributions show around 5% of anisotropic contraction with lower critical energy release rates, which cause not only micro-crack generations of secondary particles on the interfaces between the contracted primary particles, but also mechanical instability of primary particles from heterogeneous strain changes.

Self assembly of oppositely charged latex particles at oil-water interface.

PubMed

Nallamilli, Trivikram; Ragothaman, Srikanth; Basavaraj, Madivala G

2017-01-15

In this study we explore the self assembly of oppositely charged latex particles at decane water interfaces. Two spreading protocols have been proposed in this context. In the first method oppositely charged particles are mixed prior to spreading at the interface, this is called "premixed-mixtures". In the second protocol negatively charged particles are first spread at the interface at known coverage followed by spreading positively charged particles at known coverage and this is called "sequential-mixtures". In premixed mixtures depending on particle mixing ratio (composition) and total surface coverage a number of 2d structures ranging from 2d crystals, aggregate-crystal coexistence and 2d-gels are observed. A detailed phase diagram of this system has been explored. In sequential-mixtures for the first time we observed a new phase in colloidal monolayers called 2d-bi crystalline domains. These structures consisted regions of two crystal phases of oppositely charged particles separated by a one dimensional chain of alternating positive and negative particles. Phase diagram of this system has also been explored at various combinations of first spread and second spread particles. A possible mechanism leading to formation of these 2d bi crystalline structures has been discussed. A direct visualization of breakage and reformation of particle barriers separating the crystal phases has been demonstrated through videos. Effect of salt in the water sub phase and particle hydrophobicity on domain formation is also investigated. Copyright © 2016 Elsevier Inc. All rights reserved.

Crustal fingering: solidification on a viscously unstable interface

NASA Astrophysics Data System (ADS)

Fu, Xiaojing; Jimenez-Martinez, Joaquin; Cueto-Felgueroso, Luis; Porter, Mark; Juanes, Ruben

2017-11-01

Motivated by the formation of gas hydrates in seafloor sediments, here we study the volumetric expansion of a less viscous gas pocket into a more viscous liquid when the gas-liquid interfaces readily solidify due to hydrate formation. We first present a high-pressure microfluidic experiment to study the depressurization-controlled expansion of a Xenon gas pocket in a water-filled Hele-Shaw cell. The evolution of the pocket is controlled by three processes: (1) volumetric expansion of the gas; (2) rupturing of existing hydrate films on the gas-liquid interface; and (3) formation of new hydrate films. These result in gas fingering leading to a complex labyrinth pattern. To reproduce these observations, we propose a phase-field model that describes the formation of hydrate shell on viscously unstable interfaces. We design the free energy of the three-phase system to rigorously account for interfacial effects, gas compressibility and phase transitions. We model the hydrate shell as a highly viscous fluid with shear-thinning rheology to reproduce shell-rupturing behavior. We present high-resolution numerical simulations of the model, which illustrate the emergence of complex crustal fingering patterns as a result of gas expansion dynamics modulated by hydrate growth at the interface.

Influence of adhesion on aerobic biodegradation and bioremediation of liquid hydrocarbons.

PubMed

Abbasnezhad, Hassan; Gray, Murray; Foght, Julia M

2011-11-01

Biodegradation of poorly water-soluble liquid hydrocarbons is often limited by low availability of the substrate to microbes. Adhesion of microorganisms to an oil-water interface can enhance this availability, whereas detaching cells from the interface can reduce the rate of biodegradation. The capability of microbes to adhere to the interface is not limited to hydrocarbon degraders, nor is it the only mechanism to enable rapid uptake of hydrocarbons, but it represents a common strategy. This review of the literature indicates that microbial adhesion can benefit growth on and biodegradation of very poorly water-soluble hydrocarbons such as n-alkanes and large polycyclic aromatic hydrocarbons dissolved in a non-aqueous phase. Adhesion is particularly important when the hydrocarbons are not emulsified, giving limited interfacial area between the two liquid phases. When mixed communities are involved in biodegradation, the ability of cells to adhere to the interface can enable selective growth and enhance bioremediation with time. The critical challenge in understanding the relationship between growth rate and biodegradation rate for adherent bacteria is to accurately measure and observe the population that resides at the interface of the hydrocarbon phase. © Springer-Verlag 2011

Flash Lamp Integrating Sphere Technique for Measuring the Dynamic Reflectance of Shocked Materials

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

Stevens, Gerald; La Lone, Brandon; Veeser, Lynn

2013-07-08

Accurate reflectance (R) measurements of metals undergoing shock wave compression can benefit high pressure research in several ways. For example, pressure dependent reflectance measurements can be used to deduce electronic band structure, and discrete changes with pressure or temperature may indicate the occurrence of a phase boundary. Additionally, knowledge of the wavelength dependent emissivity (1 -R, for opaque samples) of the metal surface is essential for accurate pyrometric temperature measurement because the radiance is a function of both the temperature and emissivity. We have developed a method for measuring dynamic reflectance in the visible and near IR spectral regions withmore » nanosecond response time and less than 1.5% uncertainty. The method utilizes an integrating sphere fitted with a xenon flash-lamp illumination source. Because of the integrating sphere, the measurements are insensitive to changes in surface curvature or tilt. The in-situ high brightness of the flash-lamp exceeds the sample’s thermal radiance and also enables the use of solid state detectors for recording the reflectance signals with minimal noise. Using the method, we have examined the dynamic reflectance of gallium and tin subjected to shock compression from high explosives. The results suggest significant reflectance changes across phase boundaries for both metals. We have also used the method to determine the spectral emissivity of shock compressed tin at the interface between tin and a LiF window. The results were used to perform emissivity corrections to previous pyrometry data and obtain shock temperatures of the tin/LiF interface with uncertainties of less than 2%.« less