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

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

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

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

In situ imaging of microstructure formation in electronic interconnections

PubMed Central

Salleh, M. A. A. Mohd; Gourlay, C. M.; Xian, J. W.; Belyakov, S. A.; Yasuda, H.; McDonald, S. D.; Nogita, K.

2017-01-01

The development of microstructure during melting, reactive wetting and solidification of solder pastes on Cu-plated printed circuit boards has been studied by synchrotron radiography. Using Sn-3.0Ag-0.5Cu/Cu and Sn-0.7Cu/Cu as examples, we show that the interfacial Cu6Sn5 layer is present within 0.05 s of wetting, and explore the kinetics of flux void formation at the interface between the liquid and the Cu6Sn5 layer. Quantification of the nucleation locations and anisotropic growth kinetics of primary Cu6Sn5 crystals reveals a competition between the nucleation of Cu6Sn5 in the liquid versus growth of Cu6Sn5 from the existing Cu6Sn5 layer. Direct imaging confirms that the β-Sn nucleates at/near the Cu6Sn5 layer in Sn-3.0Ag-0.5Cu/Cu joints. PMID:28079120

Fluid outlet at the bottom of an in situ oil shale retort

DOEpatents

Hutchins, Ned M.

1984-01-01

Formation is excavated from within the boundaries of a retort site in formation containing oil shale for forming at least one retort level void extending horizontally across the retort site, leaving at least one remaining zone of unfragmented formation within the retort site. A production level drift is excavated below the retort level void, leaving a lower zone of unfragmented formation between the retort level void and the production level drift. A plurality of raises are formed between the production level drift and the retort level void for providing product withdrawal passages distributed generally uniformly across the horizontal cross section of the retort level void. The product withdrawal passages are backfilled with a permeable mass of particles. Explosive placed within the remaining zone of unfragmented formation above the retort level void is detonated for explosively expanding formation within the retort site toward at least the retort level void for forming a fragmented permeable mass of formation particles containing oil shale within the boundaries of the retort site. During retorting operations products of retorting are conducted from the fragmented mass in the retort through the product withdrawal passages to the production level void. The products are withdrawn from the production level void.

Method for explosive expansion toward horizontal free faces for forming an in situ oil shale retort

DOEpatents

Ricketts, Thomas E.

1980-01-01

Formation is excavated from within a retort site in formation containing oil shale for forming a plurality of vertically spaced apart voids extending horizontally across different levels of the retort site, leaving a separate zone of unfragmented formation between each pair of adjacent voids. Explosive is placed in each zone, and such explosive is detonated in a single round for forming an in situ retort containing a fragmented permeable mass of formation particles containing oil shale. The same amount of formation is explosively expanded upwardly and downwardly toward each void. A horizontal void excavated at a production level has a smaller horizontal cross-sectional area than a void excavated at a lower level of the retort site immediately above the production level void. Explosive in a first group of vertical blast holes is detonated for explosively expanding formation downwardly toward the lower void, and explosive in a second group of vertical blast holes is detonated in the same round for explosively expanding formation upwardly toward the lower void and downwardly toward the production level void for forming a generally T-shaped bottom of the fragmented mass.

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

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

Li, Yulan; Hu, Shenyang; Sun, Xin

Here, complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiatedmore » nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials.« less

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

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

Li, Yulan; Hu, Shenyang; Sun, Xin

Complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field (PF) method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the PF method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiated nuclearmore » materials are reviewed. The review shows that 1) FP models can correctly describe important phenomena such as spatial dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; 2) The PF method can qualitatively and quantitatively simulate 2-D and 3-D microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and 3) The FP method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the PF method, as applied to irradiation effects in nuclear materials.« less

A review: applications of the phase field method in predicting microstructure and property evolution of irradiated nuclear materials

DOE PAGES

Li, Yulan; Hu, Shenyang; Sun, Xin; ...

2017-04-14

Here, complex microstructure changes occur in nuclear fuel and structural materials due to the extreme environments of intense irradiation and high temperature. This paper evaluates the role of the phase field method in predicting the microstructure evolution of irradiated nuclear materials and the impact on their mechanical, thermal, and magnetic properties. The paper starts with an overview of the important physical mechanisms of defect evolution and the significant gaps in simulating microstructure evolution in irradiated nuclear materials. Then, the phase field method is introduced as a powerful and predictive tool and its applications to microstructure and property evolution in irradiatedmore » nuclear materials are reviewed. The review shows that (1) Phase field models can correctly describe important phenomena such as spatial-dependent generation, migration, and recombination of defects, radiation-induced dissolution, the Soret effect, strong interfacial energy anisotropy, and elastic interaction; (2) The phase field method can qualitatively and quantitatively simulate two-dimensional and three-dimensional microstructure evolution, including radiation-induced segregation, second phase nucleation, void migration, void and gas bubble superlattice formation, interstitial loop evolution, hydrate formation, and grain growth, and (3) The Phase field method correctly predicts the relationships between microstructures and properties. The final section is dedicated to a discussion of the strengths and limitations of the phase field method, as applied to irradiation effects in nuclear materials.« less

Effects of Sn Layer Orientation on the Evolution of Cu/Sn Interfaces

NASA Astrophysics Data System (ADS)

Sun, Menglong; Zhao, Zhangjian; Hu, Fengtian; Hu, Anmin; Li, Ming; Ling, Huiqin; Hang, Tao

2018-03-01

The effects of Sn layer orientation on the evolution of Cu/Sn joint interfaces were investigated. Three Sn layers possessing (112), (321) and (420) orientations were electroplated on polycrystalline Cu substrates respectively. The orientations of Sn layer preserved during reflowing at 250 °C for 10 s. After aging at 150 °C for different time, the interfacial microstructures were observed from the cross-section and top-view. The alignment between the c-axis of Sn and Cu diffusion direction significantly sped up the Cu diffusion, leading to the thickest intermetallic compound layer formed in (112) joint. Two types of voids, namely, intracrystalline voids and grain islanding caused intercrystalline voids generated at Cu/Cu3Sn interfaces due to the different interdiffusion coefficients of Cu and Sn (112) oriented Sn/Cu joint produced many more voids than (321) joint, and no voids were detected in (420) joint. Therefore, to enhance the reliability of solder joints, using (420) oriented Sn as solder layer could be an efficient way.

Single-crystal micromachining using multiple fusion-bonded layers

NASA Astrophysics Data System (ADS)

Brown, Alan; O'Neill, Garry; Blackstone, Scott C.

2000-08-01

Multi-layer structures have been fabricated using Fusion bonding. The paper shows void free layers of between 2 and 100 microns that have been bonded to form multi-layer structures. Silicon layers have been bonded both with and without interfacial oxide layers.

Three-dimensional simulations of void collapse in energetic materials

NASA Astrophysics Data System (ADS)

Rai, Nirmal Kumar; Udaykumar, H. S.

2018-03-01

The collapse of voids in porous energetic materials leads to hot-spot formation and reaction initiation. This work advances the current knowledge of the dynamics of void collapse and hot-spot formation using 3D reactive void collapse simulations in HMX. Four different void shapes, i.e., sphere, cylinder, plate, and ellipsoid, are studied. For all four shapes, collapse generates complex three-dimensional (3D) baroclinic vortical structures. The hot spots are collocated with regions of intense vorticity. The differences in the vortical structures for the different void shapes are shown to significantly impact the relative sensitivity of the voids. Voids of high surface area generate hot spots of greater intensity; intricate, highly contorted vortical structures lead to hot spots of corresponding tortuosity and therefore enhanced growth rates of reaction fronts. In addition, all 3D voids are shown to be more sensitive than their two-dimensional (2D) counterparts. The results provide physical insights into hot-spot formation and growth and point to the limitations of 2D analyses of hot-spot formation.

Void formation in INCONEL MA-754 by high temperature oxidation

NASA Astrophysics Data System (ADS)

Rosenstein, Alan H.; Tien, John K.; Nix, William D.

1986-01-01

Subsurface void formation in oxide dispersion strengthened MA-754 caused by high temperature oxidation was investigated at temperatures of 1100, 1150, and 1200 °C for times of 1, 10, 50, and 100 hours. Material exposed at 1200 °C was examined using microprobe, SEM, and optical microscopy techniques. After exposure in air at 1200 °C for 100 hours, chromium depletion by as much as 10 wt pct was observed near the surface, and voids of various sizes up to 15 µm in diameter were found to depths of 300 µm. The fraction of voids increases with exposure time and, with the exception of anomalous values near the surface, decreases with depth. The maximum area fraction of voids observed was approximately 8 pct. Correlation of the void area fraction profile with the measured chromium depletion through a diffusion analysis shows that void formation is due to vacancy injection. Similar void formation in Ni-Cr alloys without oxide dispersions suggests that void formation is not dependent upon the presence of oxide dispersions. The diffusion coefficient for chromium in MA-754 at 1200 °C was computed from microprobe data to be 4 × 10-10 cm2 per second.

Electromigration Mechanism of Failure in Flip-Chip Solder Joints Based on Discrete Void Formation.

PubMed

Chang, Yuan-Wei; Cheng, Yin; Helfen, Lukas; Xu, Feng; Tian, Tian; Scheel, Mario; Di Michiel, Marco; Chen, Chih; Tu, King-Ning; Baumbach, Tilo

2017-12-20

In this investigation, SnAgCu and SN100C solders were electromigration (EM) tested, and the 3D laminography imaging technique was employed for in-situ observation of the microstructure evolution during testing. We found that discrete voids nucleate, grow and coalesce along the intermetallic compound/solder interface during EM testing. A systematic analysis yields quantitative information on the number, volume, and growth rate of voids, and the EM parameter of DZ*. We observe that fast intrinsic diffusion in SnAgCu solder causes void growth and coalescence, while in the SN100C solder this coalescence was not significant. To deduce the current density distribution, finite-element models were constructed on the basis of the laminography images. The discrete voids do not change the global current density distribution, but they induce the local current crowding around the voids: this local current crowding enhances the lateral void growth and coalescence. The correlation between the current density and the probability of void formation indicates that a threshold current density exists for the activation of void formation. There is a significant increase in the probability of void formation when the current density exceeds half of the maximum value.

Suppression of interfacial voids formation during silane (SiH4)-based silicon oxide bonding with a thin silicon nitride capping layer

NASA Astrophysics Data System (ADS)

Lee, Kwang Hong; Bao, Shuyu; Wang, Yue; Fitzgerald, Eugene A.; Seng Tan, Chuan

2018-01-01

The material properties and bonding behavior of silane-based silicon oxide layers deposited by plasma-enhanced chemical vapor deposition were investigated. Fourier transform infrared spectroscopy was employed to determine the chemical composition of the silicon oxide films. The incorporation of hydroxyl (-OH) groups and moisture absorption demonstrates a strong correlation with the storage duration for both as-deposited and annealed silicon oxide films. It is observed that moisture absorption is prevalent in the silane-based silicon oxide film due to its porous nature. The incorporation of -OH groups and moisture absorption in the silicon oxide films increase with the storage time (even in clean-room environments) for both as-deposited and annealed silicon oxide films. Due to silanol condensation and silicon oxidation reactions that take place at the bonding interface and in the bulk silicon, hydrogen (a byproduct of these reactions) is released and diffused towards the bonding interface. The trapped hydrogen forms voids over time. Additionally, the absorbed moisture could evaporate during the post-bond annealing of the bonded wafer pair. As a consequence, defects, such as voids, form at the bonding interface. To address the problem, a thin silicon nitride capping film was deposited on the silicon oxide layer before bonding to serve as a diffusion barrier to prevent moisture absorption and incorporation of -OH groups from the ambient. This process results in defect-free bonded wafers.

Theory of void formation in dusty plasmas

NASA Astrophysics Data System (ADS)

Hu, Zuquan; Chen, Yinhua; Zheng, Xiang; Huang, Feng; Shi, Gei-fen; Yu, M. Y.

2009-06-01

A fluid theory of void formation in dusty plasmas taking into account ionization is proposed. It is shown that if the ionization rate is larger than a threshold, an initial steady-state dust-density distribution can evolve into a stable distribution containing a void. As the ionization rate is further increased, the time required for void formation decreases. The void size first increases, but then decreases. However, for still larger ionization rates, the dusty region of the plasma becomes ringlike, including the convection term in dust momentum equation. The results are in agreement with existing experiments and theories.

Effect of interface voids on electroluminescence colors for ZnO microdisk/p-GaN heterojunction light-emitting diodes

NASA Astrophysics Data System (ADS)

Mo, Ran; Choi, Ji Eun; Kim, Hyeong Jin; Jeong, Junseok; Kim, Jong Chan; Kim, Yong-Jin; Jeong, Hu Young; Hong, Young Joon

2017-10-01

This study investigates the influence of voids on the electroluminescence (EL) emission color of ZnO microdisk/p-GaN heterojunction light-emitting diodes (LEDs). For this study, position-controlled microdisk arrays were fabricated on patterned p-GaN via wet chemical epitaxy of ZnO, and specifically, the use of trisodium citrate dihydrate (TCD) yielded high-density voids at the bottom of the microdisk. Greenish yellow or whitish blue EL was emitted from the microdisk LEDs formed with or without TCD, respectively, at reverse-bias voltages. Such different EL colors were found to be responsible for the relative EL intensity ratio between indigo and yellow emission peaks, which were originated from radiative recombination at p-GaN and ZnO, respectively. The relative EL intensity between dichromatic emissions is discussed in terms of (i) junction edge effect provoked by interfacial voids and (ii) electron tunneling probability depending on the depletion layer geometry.

A Comparison of the Properties of Carbon Fiber Epoxy Composites Produced by Non-autoclave with Vacuum Bag Only Prepreg and Autoclave Process

NASA Astrophysics Data System (ADS)

Park, Sang Yoon; Choi, Chi Hoon; Choi, Won Jong; Hwang, Seong Soon

2018-05-01

The non-autoclave curing technique with vacuum bag only (VBO) prepreg has been conceived as a cost-effective manufacturing method for producing high-quality composite part. This study demonstrated the feasibility of improving composite part's performances and established the effective mitigation strategies for manufacturing induced defects, such as internal voids and surface porosity. The experimental results highlighted the fact that voids and surface porosity were clearly dependent on the resin viscosity state at an intermediate dwell stage of the curing process. Thereafter, the enhancement of resin flow could lead to achieving high quality parts with minimal void content (1.3%) and high fiber fraction (53 vol.%). The mechanical testing showed comparable in-plane shear and compressive strength to conventional autoclave. The microscopic observations also supported the evidence of improved interfacial bonding in terms of excellent fiber wet-out and minimal void content for the optimized cure cycle condition.

An initial study of void formation during solidification of aluminum in normal and reduced-gravity

NASA Technical Reports Server (NTRS)

Chiaramonte, Francis P.; Foerster, George; Gotti, Daniel J.; Neumann, Eric S.; Johnston, J. C.; De Witt, Kenneth J.

1992-01-01

Void formation due to volumetric shrinkage during aluminum solidification was observed in real time using a radiographic viewing system in normal and reduced gravity. An end chill directional solidification furnace with water quench was developed to solidify aluminum samples during the approximately 16 seconds of reduced gravity (+/- 0.02g) achieved by flying an aircraft through a parabolic trajectory. Void formation was recorded for two cases: first a nonwetting system; and second, a wetting system where wetting occurs between the aluminum and crucible lid. The void formation in the nonwetting case is similar in normal and reduced gravity, with a single vapor cavity forming at the top of the crucible. In the wetting case in reduced gravity, surface tension causes two voids to form in the top corners of the crucible, but in normal gravity only one large voids forms across the top.

Hot spot formation and chemical reaction initiation in shocked HMX crystals with nanovoids: a large-scale reactive molecular dynamics study.

PubMed

Zhou, Tingting; Lou, Jianfeng; Zhang, Yangeng; Song, Huajie; Huang, Fenglei

2016-07-14

We report million-atom reactive molecular dynamic simulations of shock initiation of β-cyclotetramethylene tetranitramine (β-HMX) single crystals containing nanometer-scale spherical voids. Shock induced void collapse and subsequent hot spot formation as well as chemical reaction initiation are observed which depend on the void size and impact strength. For an impact velocity of 1 km s(-1) and a void radius of 4 nm, the void collapse process includes three stages; the dominant mechanism is the convergence of upstream molecules toward the centerline and the downstream surface of the void forming flowing molecules. Hot spot formation also undergoes three stages, and the principal mechanism is kinetic energy transforming to thermal energy due to the collision of flowing molecules on the downstream surface. The high temperature of the hot spot initiates a local chemical reaction, and the breakage of the N-NO2 bond plays the key role in the initial reaction mechanism. The impact strength and void size have noticeable effects on the shock dynamical process, resulting in a variation of the predominant mechanisms leading to void collapse and hot spot formation. Larger voids or stronger shocks result in more intense hot spots and, thus, more violent chemical reactions, promoting more reaction channels and generating more reaction products in a shorter duration. The reaction products are mainly concentrated in the developed hot spot, indicating that the chemical reactivity of the hmx crystal is greatly enhanced by void collapse. The detailed information derived from this study can aid a thorough understanding of the role of void collapse in hot spot formation and the chemical reaction initiation of explosives.

Heat transfer enhancement for spent nuclear fuel assembly disposal packages using metallic void fillers: A prevention technique for solidification shrinkage-induced interfacial gaps

NASA Astrophysics Data System (ADS)

Park, Yongsoo; McKrell, Thomas J.; Driscoll, Michael J.

2017-06-01

This study considers replacing the externally accessible void spaces inside a disposal package containing a spent nuclear fuel assembly (SNFA) with high heat conducting metal to increase the effective thermal conductivity of the package and simplify the heat transfer mechanism inside the package by reducing it to a conduction dominant problem. The focus of the study is on preventing the gaps adjacent to the walls of the package components, produced by solidification shrinkage of poured liquid metal. We approached the problem by providing a temporary coating layer on the components to avoid direct build-up of thick metal oxides on their surface to promote metallic bonding at the interfaces under a non-inert environment. Laboratory scale experiments without SNFA were performed with Zn coated low carbon steel canisters and Zamak-3 void filler under two different filling temperature conditions - below and above the melting point of Zn (designated BMP and AMP respectively). Gap formation was successfully prevented in both cases while we confirmed an open gap in a control experiment, which used an uncoated canister. Minor growth of Al-Fe intermetallic phases was observed at the canister/filler interface of the sample produced under the BMP condition while their growth was significant and showed irregularly distributed morphology in the sample produced under the AMP condition, which has a potential to mitigate excessive residual stresses caused by shrinkage prevention. A procedure for the full-scale application was specified based on the results.

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

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

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

2003-01-29

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

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

PubMed

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

2010-11-01

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

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

NASA Astrophysics Data System (ADS)

Bercovici, David; Ricard, Yanick

2003-03-01

The two-phase theory for compaction and damage proposed by Bercovici et al. (2001a, J. Geophys. Res.,106, 8887-8906) employs a nonequilibrium relation between interfacial surface energy, pressure and viscous deformation, thereby providing a model for damage (void generation and microcracking) and a continuum description of weakening, failure and shear localization. Here we examine further variations of the model which consider (1) how interfacial surface energy, when averaged over the mixture, appears to be partitioned between phases; (2) how variability in deformational-work partitioning greatly facilitates localization; and (3) how damage and localization are manifested in heat output and bulk energy exchange. Microphysical considerations of molecular bonding and activation energy suggest that the apparent partitioning of surface energy between phases goes as the viscosity of the phases. When such partitioning is used in the two-phase theory, it captures the melt-compaction theory of McKenzie (1984, J. Petrol.,25, 713-765) exactly, as well as the void-damage theory proposed in a companion paper (Ricard & Bercovici, submitted). Calculations of 1-D shear localization with this variation of the theory still show at least three possible regimes of damage and localization: at low stress is weak localization with diffuse slowly evolving shear bands; at higher stress strong localization with narrow rapidly growing bands exists; and at yet higher shear stress it is possible for the system to undergo broadly distributed damage and no localization. However, the intensity of localization is strongly controlled by the variability of the deformational-work partitioning with dilation rate, represented by the parameter γ. For γ>> 1, extreme localization is allowed, with sharp profiles in porosity (weak zones), nearly discontinuous separation velocities and effectively singular dilation rates. Finally, the bulk heat output is examined for the 1-D system to discern how much deformational work is effectively stored as surface energy. In the high-stress, distributed-damage cases, heat output is reduced as more interfacial surface energy is created. Yet, in either the weak or strong localizing cases, the system always releases surface energy, regardless of the presence of damage or not, and thus slightly more heat is in fact released than energy is input through external work. Moreover, increased levels of damage (represented by the maximum work-partitioning f*) make the localizing system release surface energy faster as damage enhances phase separation and focusing of the porosity field, thus yielding more rapid loss of net interfacial surface area. However, when cases with different levels of damage are compared at similar stages of development (say, the peak porosity of the localization) it is apparent that increased damage causes smaller relative heat release and retards loss of net interfacial surface energy. The energetics and energy partitioning of this damage and shear-localization model are applied to estimating the energy costs of forming plate boundaries and generating plates from mantle convection.

Galaxy evolution in extreme environments: Molecular gas content star formation and AGN in isolated void galaxies

NASA Astrophysics Data System (ADS)

Das, Mousumi; Iono, Daisuke; Saito, Toshiki; Subramanian, Smitha

Since the early redshift surveys of the large scale structure of our universe, it has become clear that galaxies cluster along walls, sheet and filaments leaving large, empty regions called voids between them. Although voids represent the most under dense parts of our universe, they do contain a sparse but significant population of isolated galaxies that are generally low luminosity, late type disk galaxies. Recent studies show that most void galaxies have ongoing star formation and are in an early stage of evolution. We present radio, optical studies of the molecular gas content and star formation in a sample of void galaxies. Using SDSS data, we find that AGN are rare in these systems and are found only in the Bootes void; their black hole masses and radio properties are similar to bright spirals galaxies. Our studies suggest that close galaxy interactions and gas accretion are the main drivers of galaxy evolution in these systems despite their location in the underdense environment of the voids.

ON THE STAR FORMATION PROPERTIES OF VOID GALAXIES

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

Moorman, Crystal M.; Moreno, Jackeline; White, Amanda

2016-11-10

We measure the star formation properties of two large samples of galaxies from the SDSS in large-scale cosmic voids on timescales of 10 and 100 Myr, using H α emission line strengths and GALEX FUV fluxes, respectively. The first sample consists of 109,818 optically selected galaxies. We find that void galaxies in this sample have higher specific star formation rates (SSFRs; star formation rates per unit stellar mass) than similar stellar mass galaxies in denser regions. The second sample is a subset of the optically selected sample containing 8070 galaxies with reliable H i detections from ALFALFA. For the fullmore » H i detected sample, SSFRs do not vary systematically with large-scale environment. However, investigating only the H i detected dwarf galaxies reveals a trend toward higher SSFRs in voids. Furthermore, we estimate the star formation rate per unit H i mass (known as the star formation efficiency; SFE) of a galaxy, as a function of environment. For the overall H i detected population, we notice no environmental dependence. Limiting the sample to dwarf galaxies still does not reveal a statistically significant difference between SFEs in voids versus walls. These results suggest that void environments, on average, provide a nurturing environment for dwarf galaxy evolution allowing for higher specific star formation rates while forming stars with similar efficiencies to those in walls.« less

Molecular Rotors for Universal Quantitation of Nanoscale Hydrophobic Interfaces in Microplate Format.

PubMed

Bisso, Paul W; Tai, Michelle; Katepalli, Hari; Bertrand, Nicolas; Blankschtein, Daniel; Langer, Robert

2018-01-10

Hydrophobic self-assembly pairs diverse chemical precursors and simple formulation processes to access a vast array of functional colloids. Exploration of this design space, however, is stymied by lack of broadly general, high-throughput colloid characterization tools. Here, we show that a narrow structural subset of fluorescent, zwitterionic molecular rotors, dialkylaminostilbazolium sulfonates [DASS] with intermediate-length alkyl tails, fills this major analytical void by quantitatively sensing hydrophobic interfaces in microplate format. DASS dyes supersede existing interfacial probes by avoiding off-target fluorogenic interactions and dye aggregation while preserving hydrophobic partitioning strength. To illustrate the generality of this approach, we demonstrate (i) a microplate-based technique for measuring mass concentration of small (20-200 nm), dilute (submicrogram sensitivity) drug delivery nanoparticles; (ii) elimination of particle size, surfactant chemistry, and throughput constraints on quantifying the complex surfactant/metal oxide adsorption isotherms critical for environmental remediation and enhanced oil recovery; and (iii) more reliable self-assembly onset quantitation for chemically and structurally distinct amphiphiles. These methods could streamline the development of nanotechnologies for a broad range of applications.

The Effect of Copper Addition on the Properties of Sn-0.7Cu Solder Paste

NASA Astrophysics Data System (ADS)

Said, R. M.; Mohamad Johari, F. H.; Salleh, M. A. A. Mohd; Sandu, A. V.

2018-03-01

The effect of copper addition on the properties of Sn-Cu based solder paste were investigate through this study. The Sn-0.7Cu solder paste doped with different concentration of Cu were prepared using solder paste mixture. The bulk solder microstructure of assolidified solder paste was studied. Besides that, intermetallic compound (IMC) formation on Cu substrate and hardness of all solder paste also being investigated. Results shows that increasing Cu concentration cause formation of large Cu6Sn5 IMC at bulk solder and the size of the IMC grew larger at high temperature. In addition, β-Sn area reduce when Cu concentration was high. The IMC morphology for all solder paste almost remain unchanged. However, there are large Cu6Sn5 IMC form near the interfacial IMC in Sn-Cu solder paste with high amount of Cu (Sn-10Cu). The hardness value was decrease when processing temperature at 250 °C due to present of small void in the microstructure while hardness of solder material increased at high temperature.

Comparison of the Effects of Debonds and Voids in Adhesive Joints

NASA Technical Reports Server (NTRS)

Rossettos, J. N.; Lin, P.; Nayeb-Hashemi, Hamid

1997-01-01

An analytical model is developed to compare the effects of voids an debonds on the interfacial shear stresses between the adherends and the adhesive in simple lap joints. Since the adhesive material above the debond may undergo some extension (either due to applied load or thermal expansion or both), a modified shear lag model, where the adhesive can take an extensional as well as shear deformation, is used in the analysis. The adherends take on only axial loads and act as membranes. Two coupled nondimensional differential equations are derived, and in general, five parameters govern the stress distribution in the overlap region. As expected, the major differences between the debond and the void occur for the stresses near the edge of the defect itself. Whether the defect is a debond or a void, is hardly discernible by the stresses at the overlap region. If the defect occurs precisely at or very close to either end of the overlap, however, differences of the order of 20 percent in the peak stresses can be obtained.

Investigating Deformation and Mesoscale Void Creation in HMX Based Composites using Tomography Based Grain Scale Finite Element Modeling

NASA Astrophysics Data System (ADS)

Walters, David J.; Luscher, Darby J.; Manner, Virginia; Yeager, John D.; Patterson, Brian M.

2017-06-01

The microstructure of plastic bonded explosives (PBXs) significantly affects their macroscale mechanical characteristics. Imaging and modeling of the mesoscale constituents allows for a detailed examination of the deformation of mechanically loaded PBXs. In this study, explosive composites, formulated with HMX crystals and various HTPB based polymer binders have been imaged using micro Computed Tomography (μCT). Cohesive parameters for simulation of the crystal/binder interface are determined by comparing numerical and experimental results of the delamination of a polymer bound bi-crystal system. Similarly, polycrystalline samples are discretized into a finite element mesh using the mesoscale geometry captured by in-situ μCT imaging. Experimentally, increasing the stiffness of the HTPB binder in the polycrystalline system resulted in a transition from ductile flow with little crystal/binder delamination to brittle behavior with increased void creation along the interfaces. Simulating the macroscale compression of these samples demonstrates the effects that the mesoscale geometry, cohesive properties, and binder stiffness have on the creation and distribution of interfacial voids. Understanding void nucleation is critical for modeling damage in these complex materials.

Effects of isothermal and cyclic exposures on interface structure and mechanical properties of FPalpha-Al2O3/aluminum composites. [polycrystaline alumina fibers

NASA Technical Reports Server (NTRS)

Kim, W. M.; Koczak, M. J.; Lawley, A.

1979-01-01

The microstructural and interface stability of FPalpha-Al203/Al-Li composites are investigated as a function of isothermal exposure at 500 C or thermal cycling between 140 and 500 C with hold time at Tmax. Interfacial morphology, growth kinetics, crystal structure, and composition of interfacial reaction products are characterized. Strength is monitored in the transverse orientation, and fracture mechanics is analyzed in terms of interface reaction products. The interfacial reaction product in FP/Al is Li2O.5Al2O3. Significant fiber-matrix reaction occurs during fabrication. The number of thermal cycles rather than total time at Tmax is the determining factor in strength degradation, thermal cycling giving rise to voids at the fiber-matrix interface. Extensive interface failures occur at composite fracture stresses below about 128 MPa; above this stress level failure is attributed to ductile matrix fracture.

Method for forming an in situ oil shale retort with horizontal free faces

DOEpatents

Ricketts, Thomas E.; Fernandes, Robert J.

1983-01-01

A method for forming a fragmented permeable mass of formation particles in an in situ oil shale retort is provided. A horizontally extending void is excavated in unfragmented formation containing oil shale and a zone of unfragmented formation is left adjacent the void. An array of explosive charges is formed in the zone of unfragmented formation. The array of explosive charges comprises rows of central explosive charges surrounded by a band of outer explosive charges which are adjacent side boundaries of the retort being formed. The powder factor of each outer explosive charge is made about equal to the powder factor of each central explosive charge. The explosive charges are detonated for explosively expanding the zone of unfragmented formation toward the void for forming the fragmented permeable mass of formation particles having a reasonably uniformly distributed void fraction in the in situ oil shale retort.

Dynamics of solid thin-film dewetting in the silicon-on-insulator system

NASA Astrophysics Data System (ADS)

Bussmann, E.; Cheynis, F.; Leroy, F.; Müller, P.; Pierre-Louis, O.

2011-04-01

Using low-energy electron microscopy movies, we have measured the dewetting dynamics of single-crystal Si(001) thin films on SiO2 substrates. During annealing (T>700 °C), voids open in the Si, exposing the oxide. The voids grow, evolving Si fingers that subsequently break apart into self-organized three-dimensional (3D) Si nanocrystals. A kinetic Monte Carlo model incorporating surface and interfacial free energies reproduces all the salient features of the morphological evolution. The dewetting dynamics is described using an analytic surface-diffusion-based model. We demonstrate quantitatively that Si dewetting from SiO2 is mediated by surface-diffusion driven by surface free-energy minimization.

Liquid phase diffusion bonding of A1070 by using metal formate coated Zn sheet

NASA Astrophysics Data System (ADS)

Ozawa, K.; Koyama, S.; shohji, I.

2017-05-01

Aluminium alloy have high strength and easily recycle due to its low melting point. Therefore, aluminium is widely used in the manufacturing of cars and electronic devices. In recent years, the most common way for bonding aluminium alloy is brazing and friction stir welding. However, brazing requires positional accuracy and results in the formation of voids by the flax residue. Moreover, aluminium is an excellent heat radiating and electricity conducting material; therefore, it is difficult to bond together using other bonding methods. Because of these limitations, liquid phase diffusion bonding is considered to the suitable method for bonding aluminium at low temperature and low bonding pressure. In this study, the effect of metal formate coating processing of zinc surface on the bond strength of the liquid phase diffusion bonded interface of A1070 has been investigated by SEM observation of the interfacial microstructures and fractured surfaces after tensile test. Liquid phase diffusion bonding was carried out under a nitrogen gas atmosphere at a bonding temperature of 673 K and 713 K and a bonding load of 6 MPa (bonding time: 15 min). As a result of the metal formate coating processing, a joint having the ultimate tensile strength of the base aluminium was provided. It is hypothesized that this is because metallic zinc is generated as a result of thermal decomposition of formate in the bonded interface at lower bonding temperatures.

Polypropylene/Short Glass Fibers Composites: Effects of Coupling Agents on Mechanical Properties, Thermal Behaviors, and Morphology

PubMed Central

Lin, Jia-Horng; Huang, Chien-Lin; Liu, Chi-Fan; Chen, Chih-Kuang; Lin, Zheng-Ian; Lou, Ching-Wen

2015-01-01

This study uses the melt compounding method to produce polypropylene (PP)/short glass fibers (SGF) composites. PP serves as matrix while SGF serves as reinforcement. Two coupling agents, maleic anhydride grafted polypropylene, (PP-g-MA) and maleic anhydride grafted styrene-ethylene-butylene-styrene block copolymer (SEBS-g-MA) are incorporated in the PP/SGF composites during the compounding process, in order to improve the interfacial adhesion and create diverse desired properties of the composites. According to the mechanical property evaluations, increasing PP-g-MA as a coupling agent provides the composites with higher tensile, flexural, and impact properties. In contrast, increasing SEBS-g-MA as a coupling agent provides the composites with decreasing tensile and flexural strengths, but also increasing impact strength. The DSC results indicate that using either PP-g-MA or SEBS-g-MA as the coupling agent increases the crystallization temperature. However, the melting temperature of PP barely changes. The spherulitic morphology results show that PP has a smaller spherulite size when it is processed with PP-g-MA or SEBS-g-MA as the coupling agent. The SEM results indicate that SGF is evenly distributed in PP matrices, but there are distinct voids between these two materials, indicating a poor interfacial adhesion. After PP-g-MA or SEBS-g-MA is incorporated, SGF can be encapsulated by PP, and the voids between them are fewer and indistinctive. This indicates that the coupling agents can effectively improve the interfacial compatibility between PP and SGF, and as a result improves the diverse properties of PP/SGF composites. PMID:28793710

Chemistry of the metal-polymer interfacial region.

PubMed

Leidheiser, H; Deck, P D

1988-09-02

In many polymer-metal systems, chemical bonds are formed that involve metal-oxygen-carbon complexes. Infrared and Mössbauer spectroscopic studies indicate that carboxylate groups play an important role in some systems. The oxygen sources may be the polymer, the oxygen present in the oxide on the metal surface, or atmospheric oxygen. Diffusion of metal ions from the substrate into the polymer interphase may occur in some systems that are cured at elevated temperatures. It is unclear whether a similar, less extensive diffusion occurs over long time periods in systems maintained at room temperature. The interfacial region is dynamic, and chemical changes occur with aging at room temperature. Positron annihilation spectroscopy may have application to characterizing the voids at the metal-polymer interface.

Asymmetrical interfacial reactions of Ni/SAC101(NiIn)/Ni solder joint induced by current stressing

NASA Astrophysics Data System (ADS)

Lin, Chen-Yi; Chiu, Tsung-Chieh; Lin, Kwang-Lung

2018-03-01

An electric current can asymmetrically trigger either atomic migration or interfacial reactions between a cathode and an anode. The present study investigated the dissolution of metallization and formation of an interfacial intermetallic compound (IMC) in the Cu/Ni/Sn1.0Ag0.1Cu0.02Ni0.05In/Ni/Cu solder joint at various current densities in the order of 103 A/cm2 at temperatures ranging from 100 °C to 150 °C. The polarization behavior of Ni dissolution and IMC formation under current stressing were systematically investigated. The asymmetrical interfacial reactions of the solder joint were found to be greatly influenced by ambient temperature. The dissolution of Ni and its effect on interfacial IMC formation were also discussed.

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

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

Xia Wang; Xiaodong Sun; Benjamin Doup

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

Positron annihilation study of the interfacial defects in ZnO nanocrystals: Correlation with ferromagnetism

NASA Astrophysics Data System (ADS)

Wang, Dong; Chen, Z. Q.; Wang, D. D.; Qi, N.; Gong, J.; Cao, C. Y.; Tang, Z.

2010-01-01

High purity ZnO nanopowders were pressed into pellets and annealed in air between 100 and 1200 °C. The crystal quality and grain size of the ZnO nanocrystals were investigated by x-ray diffraction 2θ scans. Annealing induces an increase in the grain size from 25 to 165 nm with temperature increasing from 400 to 1200 °C. Scanning electron microscopy and high-resolution transmission electron microscopy observations also confirm the grain growth during annealing. Positron annihilation measurements reveal vacancy defects including Zn vacancies, vacancy clusters, and voids in the grain boundary region. The voids show an easy recovery after annealing at 100-700 °C. However, Zn vacancies and vacancy clusters observed by positrons remain unchanged after annealing at temperatures below 500 °C and begin to recover at higher temperatures. After annealing at temperatures higher than 1000 °C, no positron trapping by the interfacial defects can be observed. Raman spectroscopy studies confirm the recovery of lattice disorder after annealing. Hysteresis loops are observed for the 100 and 400 °C annealed samples, which indicate ferromagnetism in ZnO nanocrystals. However, the ferromagnetism disappears after annealing above 700 °C, suggesting that it might originate from the surface defects such as Zn vacancies.

A fundamental study on the structural integrity of magnesium alloys joined by friction stir welding

NASA Astrophysics Data System (ADS)

Rao, Harish Mangebettu

The goal of this research is to study the factors that influence the physical and mechanical properties of lap-shear joints produced using friction stir welding. This study focuses on understanding the effect of tool geometry and weld process parameters including the tool rotation rate, tool plunge depth and dwell time on the mechanical performance of similar magnesium alloy and dissimilar magnesium to aluminum alloy weld joints. A variety of experimental activities were conducted including tensile and fatigue testing, fracture surface and failure analysis, microstructure characterization, hardness measurements and chemical composition analysis. An investigation on the effect of weld process conditions in friction stir spot welding of magnesium to magnesium produced in a manner that had a large effective sheet thickness and smaller interfacial hook height exhibited superior weld strength. Furthermore, in fatigue testing of friction stir spot welded of magnesium to magnesium alloy, lap-shear welds produced using a triangular tool pin profile exhibited better fatigue life properties compared to lap-shear welds produced using a cylindrical tool pin profile. In friction stir spot welding of dissimilar magnesium to aluminum, formation of intermetallic compounds in the stir zone of the weld had a dominant effect on the weld strength. Lap-shear dissimilar welds with good material mixture and discontinues intermetallic compounds in the stir zone exhibited superior weld strength compared to lap-shear dissimilar welds with continuous formation of intermetallic compounds in the stir zone. The weld structural geometry like the interfacial hook, hook orientation and bond width also played a major role in influencing the weld strength of the dissimilar lap-shear friction stir spot welds. A wide scatter in fatigue test results was observed in friction stir linear welds of aluminum to magnesium alloys. Different modes of failure were observed under fatigue loading including crack propagation into the top sheet, into the bottom sheet, and interfacial separation. Investigation of the tested welds revealed that the voids in the weld nugget reduced the weld strength, resulting in lower fatigue life. A thin layer of IMCs formed along the faying surface which accelerated the fatigue failure.

Molecular dynamics simulations of void defects in the energetic material HMX.

PubMed

Duan, Xiao Hui; Li, Wen Peng; Pei, Chong Hua; Zhou, Xiao Qing

2013-09-01

A molecular dynamics (MD) simulation was carried out to characterize the dynamic evolution of void defects in crystalline octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine (HMX). Different models were constructed with the same concentration of vacancies (10 %) to discuss the size effects of void. Energetic ground state properties were determined by annealing simulations. The void formation energy per molecule removed was found to be 55-63 kcal/mol(-1), and the average binding energy per molecule was between 32 and 34 kcal/mol(-1) according to the change in void size. Voids with larger size had lower formation energy. Local binding energies for molecules directly on the void surface decreased greatly compared to those in defect-free lattice, and then gradually increased until the distance away from the void surface was around 10 Å. Analysis of 1 ns MD simulations revealed that the larger the void size, the easier is void collapse. Mean square displacements (MSDs) showed that HMX molecules that had collapsed into void present liquid structure characteristics. Four unique low-energy conformers were found for HMX molecules in void: two whose conformational geometries corresponded closely to those found in HMX polymorphs and two, additional, lower energy conformers that were not seen in the crystalline phases. The ratio of different conformers changed with the simulated temperature, in that the ratio of α conformer increased with the increase in temperature.

Evaluation of a mobile voiding diary for pediatric patients with voiding dysfunction: a prospective comparative study.

PubMed

Johnson, Emilie K; Estrada, Carlos R; Johnson, Kathryn L; Nguyen, Hiep T; Rosoklija, Ilina; Nelson, Caleb P

2014-09-01

One potential strategy for improving voiding diary completion rates and data quality is use of a mobile electronic format. We evaluated the acceptability and feasibility of mobile voiding diaries for patients with nonneurogenic lower urinary tract dysfunction, and compared mobile and paper voiding diaries. We prospectively enrolled children presenting with daytime symptoms of lower urinary tract dysfunction between July 2012 and April 2013. We enrolled an initial cohort of patients who were provided a paper voiding diary and a subsequent cohort who were provided a mobile voiding diary. We conducted in person interviews and assessed completion rates and quality, comparing paper and mobile voiding diary groups. We enrolled 45 patients who received a paper voiding diary and 38 who received a mobile voiding diary. Completion rates were 78% for paper voiding diaries and 61% for mobile voiding diaries (p = 0.10). Data quality measures for patients completing paper vs mobile voiding diaries revealed a larger proportion (63% vs 52%) providing a full 5 days of data and a smaller proportion (20% vs 65%) with data gaps. However, the paper voiding diary also demonstrated a lower proportion (80% vs 100%) that was completely legible and a lower proportion (40% vs 65%) with completely prospective data entry. The use of a mobile voiding diary was acceptable and feasible for our patients with lower urinary tract dysfunction, although completion rates were somewhat lower compared to paper voiding diaries. Data quality was not clearly better for either version. The mobile voiding diary format may offer data quality advantages for select groups but it did not display significant superiority when provided universally. Copyright © 2014 American Urological Association Education and Research, Inc. Published by Elsevier Inc. All rights reserved.

Cause Analysis on the Void under Slabs of Cement Concrete Pavement

NASA Astrophysics Data System (ADS)

Wen, Li; Zhu, Guo Xin; Baozhu

2017-06-01

This paper made a systematic analysis on the influence of the construction, environment, water and loads on the void beneath road slabs, and also introduced the formation process of structural void and pumping void, and summarizes the deep reasons for the bottom of the cement concrete pavement. Based on the analysis above, this paper has found out the evolution law of the void under slabs which claimed that the void usually appeared in the slab corners and then the cross joint, resulting void in the four sides with the void area under the front slab larger than the rear one.

An investigation of voids formation mechanisms and their effects on freeze and thaw processes of lithium and lithium fluoride

NASA Technical Reports Server (NTRS)

El-Genk, Mohamed S.; Yang, Jae-Young

1991-01-01

The mechanisms of void formation during the cooldown and freezing of lithium coolant within the primary loop of SP-100 type systems are investigated. These mechanisms are: (1) homogeneous nucleation; (2) heterogeneous nucleation; (3) normal segregation of helium gas dissolved in liquid lithium; and (4) shrinkage of lithium during freezing. To evaluate the void formation potential due to segregation, a numerical scheme that couples the freezing and mass diffusion processes in both the solid and liquid regions is developed. The results indicated that the formation of He bubbles is unlikely by either homogeneous or heterogeneous nucleation during the cooldown process. However, homogeneous nucleation of He bubbles following the segregation of dissolved He in liquid lithium ahead of the solid-liquid interface is likely to occur. Results also show that total volume of He void is insignificant when compared to that of shrinkage voids. In viewing this, the subsequent research focuses on the effects of shrinkage void forming during freezing of lithium on subsequent thaw processes are investigated using a numerical scheme that is based on a single (solid/liquid) cell approach. The cases of lithium-fluoride are also investigated to show the effect of larger volume shrinkage upon freezing on the freeze and thaw processes. Results show that a void forming at the wall appreciably reduces the solid-liquid interface velocity, during both freeze and thaw, and causes a substantial rise in the wall temperature during thaw. However, in the case of Li, the maximum wall temperature was much lower than the melting temperature of PWC-11, which is used as the structure material in the SP-100 system. Hence, it is included that a formation of hot spots is unlikely during the startup or restart of the SP-100 system.

Simulation of void formation in interconnect lines

NASA Astrophysics Data System (ADS)

Sheikholeslami, Alireza; Heitzinger, Clemens; Puchner, Helmut; Badrieh, Fuad; Selberherr, Siegfried

2003-04-01

The predictive simulation of the formation of voids in interconnect lines is important for improving capacitance and timing in current memory cells. The cells considered are used in wireless applications such as cell phones, pagers, radios, handheld games, and GPS systems. In backend processes for memory cells, ILD (interlayer dielectric) materials and processes result in void formation during gap fill. This approach lowers the overall k-value of a given metal layer and is economically advantageous. The effect of the voids on the overall capacitive load is tremendous. In order to simulate the shape and positions of the voids and thus the overall capacitance, the topography simulator ELSA (Enhanced Level Set Applications) has been developed which consists of three modules, a level set module, a radiosity module, and a surface reaction module. The deposition process considered is deposition of silicon nitride. Test structures of interconnect lines of memory cells were fabricated and several SEM images thereof were used to validate the corresponding simulations.

Salting-out and multivalent cation precipitation of anionic surfactants

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

Walker, R.D. Jr.; Keppel, R.A.; Cosper, M.B.

1981-02-01

In this surfactant/polymer flooding process, a carefully designed surfactant slug is injected into an oil-bearing formation with a view to reducing the oil/water interfacial tension substantially so as to facilitate mobilization of oil droplets trapped in the less accessible void spaces of the reservoir rock. When the surfactant comes into contact with reservoir brine, oil and rock, several phenomena can occur which result in loss of surfactant from the slug, i.e., salting-out of surfactant by NaCl, precipitation of insoluble soaps by multivalent cations such as calcium, partitioning to oil of both dissolved and precipitated surfactant, and adsorption of surfactant onmore » reservoir rock have been identified as important surfactant loss processes. This study presents some experimental data which illustrate the effects of salt and multivalent cations, identifies the mechanisms which are operative, and develops mathematical relationships which enable one to describe the behavior of surfactant systems when brought into contact with salt, multivalent cations, or both. 26 references.« less

Phase nucleation and evolution mechanisms in heterogeneous solids

NASA Astrophysics Data System (ADS)

Udupa, Anirudh

Phase nucleation and evolution is a problem of critical importance in many applications. As the length scales are reduced, it becomes increasingly important to consider interfacial and micro-structural effects that can be safely ignored at larger length scales owing to randomness. The theory of phase nucleation has been addressed usually by the classical nucleation theory, which was originally derived for single component fluid systems, after making an assumption of equilibrium. The criterion has not been rigorously derived for solids, which are far from equilibrium due to dissipation by multiple physical drivers. In this thesis, a thermodynamically sound nucleation criterion is derived for systems with multiple interacting physical phenomena and multiple dissipating mechanisms. This is done, using the tools of continuum mechanics, by determining the change in free energy upon the introduction of a new nucleus into the system. The developed theory is demonstrated to be a generalization of the classical nucleation theory (CNT). The developed theory is then applied to the problem of electromigration driven void nucleation, a serious reliability concern for the microelectronics industry. The void grows and eventually severs the line making the chip nonfunctional. There are two classes of theories at present in the electromigration literature to address the problem of void nucleation, the vacancy supersaturation theory and the entropic dissipation theory, both of which are empirical and based on intuition developed from experimental observations. When the developed theory was applied to the problem of electromigration, it was found to be consistent with the vacancy supersaturation theory, but provided the correct energetic quantity, the chemical potential, which has contribution from both the vacancy concentration as well as the hydrostatic stress. An experiment, consisting of electromigration tests on serpentine lines, was developed to validate the developed nucleation theory. The experimental results are consistent with the developed theory and show that the theory of entropic dissipation is incorrect. A diffuse-interface computational technique was then developed to simulate the problem of electromigration driven void nucleation and growth in arbitrary geometries. Experimentally known results such as Black's law, existence of the Blech length, effect of interface adhesion energy were reproduced. The simulations were also used to infer the numerical value of the nucleation criterion, based on experimental results in the literature. The problem of electromigration is the result of species diffusion due to imparted momentum from the electrons, and the resulting motion of interface is influenced by surface diffusion along the interface, bulk diffusion, and the current density. Similarly, the formation of intermetallic compounds (IMC) and the resulting interface shape in many systems is the result of limiting effects of bulk diffusion, interfacial reaction, surface energy, and surface diffusion. Thus, the dynamics and stability of the interface formed when Cu and Sn react to form the IMC compound Cu6Sn5 is explored next. This system is of significant relevance to modern microelectronic chip assemblies, where solder joints with significant Cu6Sn5 volume fraction are known to be prone to brittle fracture and shorter useful life. Prior experimental observations have shown the interface to possess either a scalloped, flat or needle shaped morphology. The governing mechanism leading to the observed shape of the interface is not clearly known, and is the focus of the present study. In research unrelated to diffusion driven phase evolution, but involving interfaces nevertheless, in the appendix, the problem of interfacial delamination in Through Silicon Vias (TSV) is studied analytically. Three-dimensional (3D) packages utilizing TSVs are seen as enablers of increased performance and "More than Moore" functionality at the present time. However, the use of TSVs introduce a set of reliability concerns, one of which is the thermo-mechanical stress caused by the mismatch in coefficient of thermal expansion (CTE) between the copper via and the surround- ing silicon. The CTE mismatch, causes high stress zones in and around the copper TSVs, which in turn impede the mobility of electrons in the regions surrounding the TSVs. Further, proximal placing of TSVs for improved electrical performance may be restricted by additional stress induced by TSV-TSV interaction. The increased stress of the region surrounding the TSV also increases the risk of interfacial delamination. In order to ensure reliable functioning of 3D chip stacks, design guidelines are necessary on the excluded "keep-out" zone where stress induced by TSVs will impede transistor functionality. Towards this end, we analytically derive, using elasticity theory, the stress field in and around a doubly periodic arrangement of TSVs subjected to a uniform thermal excursion. The model for stress is used to analytically estimate the conditions for interfacial cracks to propagate, as a function of the system geometry and material properties. (Abstract shortened by ProQuest.).

Experimental study of void formation during aluminum solidification in reduced gravity. Ph.D. Thesis - Toledo Univ.

NASA Technical Reports Server (NTRS)

Chiaramonte, Francis Paul, III

1993-01-01

Void formation due to volumetric shrinkage and liquid/vapor reorientation during aluminum solidification was observed in real time by using a radiographic viewing system in normal and reduced gravity. An end-chill directional solidification furnace with water quench was designed and constructed to solidify aluminum samples during the approximately 16 sec of reduced gravity (+/-0.02g) achieved by flying an aircraft through a parabolic trajectory. In the first series of tests the aluminum was contained in a vacuum sealed, pyrolytic boron nitride crucible. An ullage space was present during each test. Void formation was recorded for two cases: a nonwetting system, and a wetting system where wetting occurred between the aluminum and the crucible lid. The void formation in the nonwetting case was similar in normal and reduced gravity, with a single vapor cavity forming at the top of the crucible. In the wetting case during reduced gravity surface tension caused two voids to form in the top corners of the crucible, but during normal gravity only one large void formed across the top. In the second series of tests the aluminum was contained in a pyrolytic boron nitride crucible that was placed in a stainless steel container and sealed in an environment of argon plus 4 percent hydrogen. An ullage space was present during each test. Void formation was recorded for two cases: a nonwetting system, and a wetting system where wetting occurred between the aluminum and one side wall and the lid. The void for nation in the nonwetting case was similar in normal and reduced gravity, with a single vapor cavity forming at the top of the crucible, although the meniscus became more convex in reduced gravity. In the wetting case the aluminum did not climb up the corners in 1g, and one large symmetric void resulted at the top when the aluminum had solidified. In the wetting case during reduced gravity the molten aluminum was drawn up the wetted wall and partially across the lid by a capillary underpressure; however, on the nonwetting wall the aluminum moved down. One void resulted along the nonwetting side of the container continuing to the top on the same side.

Cavitation inception from bubble nuclei

PubMed Central

Mørch, K. A.

2015-01-01

The tensile strength of ordinary water such as tap water or seawater is typically well below 1 bar. It is governed by cavitation nuclei in the water, not by the tensile strength of the water itself, which is extremely high. Different models of the nuclei have been suggested over the years, and experimental investigations of bubbles and cavitation inception have been presented. These results suggest that cavitation nuclei in equilibrium are gaseous voids in the water, stabilized by a skin which allows diffusion balance between gas inside the void and gas in solution in the surrounding liquid. The cavitation nuclei may be free gas bubbles in the bulk of water, or interfacial gaseous voids located on the surface of particles in the water, or on bounding walls. The tensile strength of these nuclei depends not only on the water quality but also on the pressure–time history of the water. A recent model and associated experiments throw new light on the effects of transient pressures on the tensile strength of water, which may be notably reduced or increased by such pressure changes. PMID:26442138

Spectra of galaxies in the Case Low-Dispersion Sky Survey in the direction of the Bootes void

NASA Technical Reports Server (NTRS)

Weistrop, Donna; Downes, Ronald A.

1988-01-01

A sample of 34 galaxies selected from the Case Low-Dispersion Northern Sky Survey in the direction of the Bootes void. Emission-line redshifts were obtained for 33 objects; the spectrum of the thirty-fourth galaxy contains no obvious features. Three of the emission-line galaxies are lcoated within the boundaries of the Bootes void, including one not previously reported. To date, all the galaxies discovered in the void have emission-line spectra. Although more than half the galaxies in the sample are fainter than M(B) = -21.0 mag, all five of the galaxies that were detected by IRAS are brighter than M(B) = 21.5 mag. The relative strengths of the emission lines in most of the galaxies, including those in the void, indicate the lines are excited by photoionization due to young, hot O and B stars. Possible causes for the star formation occurring in these galaxies include interaction with nearby galaxies, star formation induced by nuclear activity, and/or recent development of physical conditions required for star formation.

Comparison of a new bisphenol-a-glycidyl dimethacrylate-based cortical bone void filler with polymethyl methacrylate.

PubMed

Erbe, E M; Clineff, T D; Gualtieri, G

2001-10-01

A newly formulated and reinforced bisphenol-a-glycidyl dimethacrylate (bis-GMA) resin (Cortoss/Orthovita, Malvern, Pa.) was compared with Simplex P polymethyl methacrylate (Stryker Howmedica Osteonics, East Rutherford, N.J.) in rabbits for up to 52 weeks and in sheep for up to 78 weeks. As seen in scanning electron microscopy and histology examinations, both implant materials were surrounded by bone at late time periods, with fibrous layers of connective tissue seen in half the Simplex P specimens. No clinically significant safety differences between implant materials were apparent. Interfacial bond strengths between the implant and bone generally increased with time, but were 4.5-fold greater with Cortoss than Simplex P at 24 weeks, and 100-fold greater at 52 weeks. Forces required to displace 316SS rods held in place with Cortoss were consistently greater than forces to displace rods held in place with Simplex P. No statistically significant differences in displacement forces were found between rods held in place with Cortoss polymerized in situ and rods held with prepolymerized Cortoss. Interfacial bond strengths were greater for Simplex P that was polymerized in situ than for prepolymerized polymethyl methacrylate specimens. Cortoss synthetic cortical bone void filler is a good candidate material to fix implants in bone. It has characteristics consistent with long-term safety and has a better ability to bond to bone than Simplex P.

A molecular dynamics study of thermal transport in nanoparticle doped Argon like solid

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

Shahadat, Muhammad Rubayat Bin, E-mail: rubayat37@gmail.com; Ahmed, Shafkat; Morshed, A. K. M. M.

2016-07-12

Interfacial phenomena such as mass and type of the interstitial atom, nano scale material defect influence heat transfer and the effect become very significant with the reduction of the material size. Non Equilibrium Molecular Dynamics (NEMD) simulation was carried out in this study to investigate the effect of the interfacial phenomena on solid. Argon like solid was considered in this study and LJ potential was used for atomic interaction. Nanoparticles of different masses and different molecular defects were inserted inside the solid. From the molecular simulation, it was observed that a large interfacial mismatch due to change in mass inmore » the homogenous solid causes distortion of the phonon frequency causing increase in thermal resistance. Position of the doped nanoparticles have more profound effect on the thermal conductivity of the solid whereas influence of the mass ratio is not very significant. Interstitial atom positioned perpendicular to the heat flow causes sharp reduction in thermal conductivity. Structural defect caused by the molecular defect (void) also observed to significantly affect the thermal conductivity of the solid.« less

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

NASA Astrophysics Data System (ADS)

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

2017-03-01

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

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Conclusive evidence of abrupt coagulation inside the void during cyclic nanoparticle formation in reactive plasma

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

Wetering, F. M. J. H. van de; Nijdam, S.; Beckers, J.

2016-07-25

In this letter, we present scanning electron microscopy (SEM) results that confirm in a direct way our earlier explanation of an abrupt coagulation event as the cause for the void hiccup. In a recent paper, we reported on the fast and interrupted expansion of voids in a reactive dusty argon–acetylene plasma. The voids appeared one after the other, each showing a peculiar, though reproducible, behavior of successive periods of fast expansion, abrupt contraction, and continued expansion. The abrupt contraction was termed “hiccup” and was related to collective coagulation of a new generation of nanoparticles growing in the void using relativelymore » indirect methods: electron density measurements and optical emission spectroscopy. In this letter, we present conclusive evidence using SEM of particles collected at different moments in time spanning several growth cycles, which enables us to follow the nanoparticle formation process in great detail.« less

Kirkendall void formation in reverse step graded Si1-xGex/Ge/Si(001) virtual substrates

NASA Astrophysics Data System (ADS)

Sivadasan, Vineet; Rhead, Stephen; Leadley, David; Myronov, Maksym

2018-02-01

Formation of Kirkendall voids is demonstrated in the Ge underlayer of reverse step graded Si1-xGex/Ge buffer layers grown on Si(001) using reduced pressure chemical vapour deposition (RP-CVD). This phenomenon is seen when the constant composition Si1-xGex layer is grown at high temperatures and for x ≤ 0.7. The density and size of the spherical voids can be tuned by changing Ge content in the Si1-xGex and other growth parameters.

Characterization methods for liquid interfacial layers

NASA Astrophysics Data System (ADS)

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

2013-05-01

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

The evolution of voids in the adhesion approximation

NASA Astrophysics Data System (ADS)

Sahni, Varun; Sathyaprakah, B. S.; Shandarin, Sergei F.

1994-08-01

We apply the adhesion approximation to study the formation and evolution of voids in the universe. Our simulations-carried out using 1283 particles in a cubical box with side 128 Mpc-indicate that the void spectrum evolves with time and that the mean void size in the standard Cosmic Background Explorer Satellite (COBE)-normalized cold dark matter (CDM) model with H50 = 1 scals approximately as bar D(z) = bar Dzero/(1+2)1/2, where bar Dzero approximately = 10.5 Mpc. Interestingly, we find a strong correlation between the sizes of voids and the value of the primordial gravitational potential at void centers. This observation could in principle, pave the way toward reconstructing the form of the primordial potential from a knowledge of the observed void spectrum. Studying the void spectrum at different cosmological epochs, for spectra with a built in k-space cutoff we find that the number of voids in a representative volume evolves with time. The mean number of voids first increases until a maximum value is reached (indicating that the formation of cellular structure is complete), and then begins to decrease as clumps and filaments erge leading to hierarchical clustering and the subsequent elimination of small voids. The cosmological epoch characterizing the completion of cellular structure occurs when the length scale going nonlinear approaches the mean distance between peaks of the gravitaional potential. A central result of this paper is that voids can be populated by substructure such as mini-sheets and filaments, which run through voids. The number of such mini-pancakes that pass through a given void can be measured by the genus characteristic of an individual void which is an indicator of the topology of a given void in intial (Lagrangian) space. Large voids have on an average a larger measure than smaller voids indicating more substructure within larger voids relative to smaller ones. We find that the topology of individual voids is strongly epoch dependent, with void topologies generally simplifying with time. This means that as voids grow older they become progressively more empty and have less structure within them. We evaluate the genus measure both for individual voids as well as for the entire ensemble of voids predicted by CDM model. As a result we find that the topology of voids when taken together with the void spectrum is a very useful statistical indicator of the evolution of the structure of the universe on large scales.

The evolution of voids in the adhesion approximation

NASA Technical Reports Server (NTRS)

Sahni, Varun; Sathyaprakah, B. S.; Shandarin, Sergei F.

1994-01-01

We apply the adhesion approximation to study the formation and evolution of voids in the universe. Our simulations-carried out using 128(exp 3) particles in a cubical box with side 128 Mpc-indicate that the void spectrum evolves with time and that the mean void size in the standard Cosmic Background Explorer Satellite (COBE)-normalized cold dark matter (CDM) model with H(sub 50) = 1 scals approximately as bar D(z) = bar D(sub zero)/(1+2)(exp 1/2), where bar D(sub zero) approximately = 10.5 Mpc. Interestingly, we find a strong correlation between the sizes of voids and the value of the primordial gravitational potential at void centers. This observation could in principle, pave the way toward reconstructing the form of the primordialpotential from a knowledge of the observed void spectrum. Studying the void spectrum at different cosmological epochs, for spectra with a built in k-space cutoff we find that the number of voids in a representative volume evolves with time. The mean number of voids first increases until a maximum value is reached (indicating that the formation of cellular structure is complete), and then begins to decrease as clumps and filaments erge leading to hierarchical clustering and the subsequent elimination of small voids. The cosmological epoch characterizing the completion of cellular structure occurs when the length scale going nonlinear approaches the mean distance between peaks of the gravitaional potential. A central result of this paper is that voids can be populated by substructure such as mini-sheets and filaments, which run through voids. The number of such mini-pancakes that pass through a given void can be measured by the genus characteristic of an individual void which is an indicator of the topology of a given void in intial (Lagrangian) space. Large voids have on an average a larger measure than smaller voids indicating more substructure within larger voids relative to smaller ones. We find that the topology of individual voids is strongly epoch dependent, with void topologies generally simplifying with time. This means that as voids grow older they become progressively more empty and have less structure within them. We evaluate the genus measure both for individual voids as well as for the entire ensemble of voids predicted by CDM model. As a result we find that the topology of voids when taken together with the void spectrum is a very useful statistical indicator of the evolution of the structure of the universe on large scales.

Cluster Dynamics Modeling with Bubble Nucleation, Growth and Coalescence

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

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

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

Method for attenuating seismic shock from detonating explosive in an in situ oil shale retort

DOEpatents

Studebaker, Irving G.; Hefelfinger, Richard

1980-01-01

In situ oil shale retorts are formed in formation containing oil shale by excavating at least one void in each retort site. Explosive is placed in a remaining portion of unfragmented formation within each retort site adjacent such a void, and such explosive is detonated in a single round for explosively expanding formation within the retort site toward such a void for forming a fragmented permeable mass of formation particles containing oil shale in each retort. This produces a large explosion which generates seismic shock waves traveling outwardly from the blast site through the underground formation. Sensitive equipment which could be damaged by seismic shock traveling to it straight through unfragmented formation is shielded from such an explosion by placing such equipment in the shadow of a fragmented mass in an in situ retort formed prior to the explosion. The fragmented mass attenuates the velocity and magnitude of seismic shock waves traveling toward such sensitive equipment prior to the shock wave reaching the vicinity of such equipment.

Defect and void evolution in oxide dispersion strengthened ferritic steels under 3.2 MeV Fe + ion irradiation with simultaneous helium injection

NASA Astrophysics Data System (ADS)

Kim, I.-S.; Hunn, J. D.; Hashimoto, N.; Larson^1, D. L.; Maziasz, P. J.; Miyahara, K.; Lee, E. H.

2000-08-01

In an attempt to explore the potential of oxide dispersion strengthened (ODS) ferritic steels for fission and fusion structural materials applications, a set of ODS steels with varying oxide particle dispersion were irradiated at 650°C, using 3.2 MeV Fe + and 330 keV He + ions simultaneously. The void formation mechanisms in these ODS steels were studied by juxtaposing the response of a 9Cr-2WVTa ferritic/martensitic steel and solution annealed AISI 316LN austenitic stainless steel under the same irradiation conditions. The results showed that void formation was suppressed progressively by introducing and retaining a higher dislocation density and finer precipitate particles. Theoretical analyses suggest that the delayed onset of void formation in ODS steels stems from the enhanced point defect recombination in the high density dislocation microstructure, lower dislocation bias due to oxide particle pinning, and a very fine dispersion of helium bubbles caused by trapping helium atoms at the particle-matrix interfaces.

Effect of Dark Energy Perturbation on Cosmic Voids Formation

NASA Astrophysics Data System (ADS)

Endo, Takao; Nishizawa, Atsushi J.; Ichiki, Kiyotomo

2018-05-01

In this paper, we present the effects of dark energy perturbation on the formation and abundance of cosmic voids. We consider dark energy to be a fluid with a negative pressure characterised by a constant equation of state w and speed of sound c_s^2. By solving fluid equations for two components, namely, dark matter and dark energy fluids, we quantify the effects of dark energy perturbation on the sizes of top-hat voids. We also explore the effects on the size distribution of voids based on the excursion set theory. We confirm that dark energy perturbation negligibly affects the size evolution of voids; c_s^2=0 varies the size only by 0.1% as compared to the homogeneous dark energy model. We also confirm that dark energy perturbation suppresses the void size when w < -1 and enhances the void size when w > -1 (Basse et al. 2011). In contrast to the negligible impact on the size, we find that the size distribution function on scales larger than 10 Mpc/h highly depends on dark energy perturbation; compared to the homogeneous dark energy model, the number of large voids of radius 30Mpc is 25% larger for the model with w = -0.9 and c_s^2=0 while they are 20% less abundant for the model with w = -1.3 and c_s^2=0.

Surface pressure and elasticity of hydrophobin HFBII layers on the air-water interface: rheology versus structure detected by AFM imaging.

PubMed

Stanimirova, Rumyana D; Gurkov, Theodor D; Kralchevsky, Peter A; Balashev, Konstantin T; Stoyanov, Simeon D; Pelan, Eddie G

2013-05-21

Here, we combine experiments with Langmuir trough and atomic force microscopy (AFM) to investigate the reasons for the special properties of layers from the protein HFBII hydrophobin spread on the air-water interface. The hydrophobin interfacial layers possess the highest surface dilatational and shear elastic moduli among all investigated proteins. The AFM images show that the spread HFBII layers are rather inhomogeneous, (i.e., they contain voids, monolayer and multilayer domains). A continuous compression of the layer leads to filling the voids and transformation of a part of the monolayer into a trilayer. The trilayer appears in the form of large surface domains, which can be formed by folding and subduction of parts from the initial monolayer. The trilayer appears also in the form of numerous submicrometer spots, which can be obtained by forcing protein molecules out of the monolayer and their self-assembly into adjacent pimples. Such structures are formed because not only the hydrophobic parts, but also the hydrophilic parts of the HFBII molecules can adhere to each other in the water medium. If a hydrophobin layer is subjected to oscillations, its elasticity considerably increases, up to 500 mN/m, which can be explained with compaction. The relaxation of the layer's tension after expansion or compression follows the same relatively simple law, which refers to two-dimensional diffusion of protein aggregates within the layer. The characteristic diffusion time after compression is longer than after expansion, which can be explained with the impedence of diffusion in the more compact interfacial layer. The results shed light on the relation between the mesoscopic structure of hydrophobin interfacial layers and their unique mechanical properties that find applications for the production of foams and emulsions of extraordinary stability; for the immobilization of functional molecules at surfaces, and as coating agents for surface modification.

The effect of bioadhesive on the interfacial compatibility and pervaporation performance of composite membranes by MD and GCMC simulation.

PubMed

Wang, Baohe; Nie, Yan; Ma, Jing

2018-03-01

Combing molecular dynamics (MD) and Grand Canonical Monte Carlo (GCMC) simulation, the effect of bioadhesive transition layer on the interfacial compatibility of the pervaporation composite membranes, and the pervaporation performance toward penetrant molecules were investigated. In our previous experimental study, the structural stability and permeability selectivity of the composite membranes were considerably enhanced by the introduction of bioadhesive carbopol (CP). In the present study, the interfacial compatibility and the interfacial energies between the chitosan (CS) separation layer, CP transition layer and the support layer were investigated, respectively. The mobility of polymer chains, free volume in bulk and interface regions were evaluated by the mean-square displacement (MSD) and free volume voids (FFV) analysis. The diffusion and sorption behavior of water/ethanol molecules in bulk and interface regions were characterized. The simulation results of membrane structure have good consistency, indicating that the introduction of CP transition layer improved the interfacial compatibility and interaction between the separation layer and the support layer. Comparing the bulk region of the separation layer, the mobility and free volume of the polymer chain in the interface region decreased and thus reduced the swelling of CS active layer, revealing the increased diffusion selectivity toward the permeated water and ethanol molecules. The strong hydrogen bonds interaction between the COOH of the CP transition layer and water molecules increased the adsorption of water molecules in the interface region. The simulation results were quite consistent with the experimental results. Copyright © 2018 Elsevier Inc. All rights reserved.

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

NASA Astrophysics Data System (ADS)

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

2018-04-01

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

Hydrophobic Materials Based on Salts of Di(2-ethylhexyl)phosphoric Acid

NASA Astrophysics Data System (ADS)

Kizim, N. F.; Golubina, E. N.

2018-03-01

Interfacial formations of material based on metals di(2-ethylhexyl)phosphates of various metals exhibit hydrophobic properties. The contact angle of the surface, modified by the interfacial formations materials, could reach up to 140° depending on the nature of the solvent, the metal salt, the number of applications.

Effect of laminate edge conditions on the formation of microvoids in composite laminates

NASA Astrophysics Data System (ADS)

Anderson, J. P.; Altan, M. C.

2015-05-01

Manufacturing defects such as microvoids are common in thermoset composite components and are known to negatively affect their strength. The resin pressure developed in and the resin flow out from the laminates during cure have been reported to be the primary factors influencing the final void content of a composite component. In this work, the effect of laminate edge conditions during the cure process on the formation of microvoids was experimentally investigated. This was achieved by fabricating eight-ply laminates from TenCate® BT250/7781 prepreg in a hot-press at a constant cure pressure of 170 kPa while limiting the laminate perimeter available for resin flow by 0%, 25%, 50%, 75%, and 100%. The individual plies of these five laminates were conditioned at 99% relative humidity before curing to maximize the moisture present in the lay-up before fabrication. The presence of moisture in the lay-ups was expected to promote void formation and allow the effect of restricting flow at the edges of a laminate to be better identified. The restriction of resin outflow was found to cause the average characteristic void diameter to decrease by 17% and void content to rise by 33%. This phenomenon was identified to be a result of the outflow restriction increasing the number of voids trapped within the laminate and indicates that for laminates cured at low pressures resin outflow is the dominant mechanism for void reduction.

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

Jakubowicz, J., E-mail: jaroslaw.jakubowicz@put.poznan.pl; Adamek, G.; Pałka, K.

The paper describes the formation, morphology and mechanical properties of Ti void composites. The Ti void composites were made using 100 and 325 mesh Ti powder for solid scaffold formation. The spherical and polyhedral voids (pores) were formed using saccharose particles (table sugar) of different shapes. The Ti void composite morphology was investigated by microcomputed tomography and scanning electron microscopy. The Ti void composites of designed porosity of 50–70% were made. Compression test was applied for mechanical properties estimation. It has been found, that Ti void composites made from 100 mesh Ti and those having spherical pores have a highermore » strength and elastic modulus, i.e. for the designed porosity of 50% for 100 and 325 mesh Ti void composites, a compressive strength was 32.32 and 20.13 MPa, respectively. It has been shown that this is related to better sintering of the 100 mesh Ti powders compared with the 325 mesh Ti powders. A correlation between microcomputed tomography data and mechanical properties has also been shown. The Ti void composites, made with the use of saccharose as a space holder, described in this work should be a promising material for biomedical applications, where interconnected pores and good mechanical properties are required. - Highlights: • Ti scaffolds of the porosity of 50–70% were made. • Saccharose particles as space holder were applied. • The voids in the scaffolds were designed with spherical and polyhedral shape. • The scaffold structure was investigated by SEM and micro-CT. • Micro-CT data and mechanical properties of the Ti scaffold have been correlated.« less

Understanding and Shaping the Morphology of the Barrier Layer of Supported Porous Anodized Alumina on Gold Underlayers.

PubMed

Berger, Nele; Es-Souni, Mohammed

2016-07-12

Large-area ordered nanorod (NR) arrays of various functional materials can be easily and cost-effectively processed using on-substrate anodized porous aluminum oxide (PAO) films as templates. However, reproducibility in the processing of PAO films is still an issue because they are prone to delamination, and control of fabrication parameters such as electrolyte type and concentration and anodizing time is critical for making robust templates and subsequently mechanically reliable NR arrays. In the present work, we systematically investigate the effects of the fabrication parameters on pore base morphology, devise a method to avoid delamination, and control void formation under the barrier layer of PAO films on gold underlayers. Via systematic control of the anodization parameters, particularly the anodization current density and time, we follow the different stages of void development and discuss their formation mechanisms. The practical aspect of this work demonstrates how void size can be controlled and how void formation can be utilized to control the shape of NR bases for improving the mechanical stability of the NRs.

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

NASA Astrophysics Data System (ADS)

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

2018-01-01

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

Void Formation during Diffusion - Two-Dimensional Approach

NASA Astrophysics Data System (ADS)

Wierzba, Bartek

2016-06-01

The final set of equations defining the interdiffusion process in solid state is presented. The model is supplemented by vacancy evolution equation. The competition between the Kirkendall shift, backstress effect and vacancy migration is considered. The proper diffusion flux based on the Nernst-Planck formula is proposed. As a result, the comparison of the experimental and calculated evolution of the void formation in the Fe-Pd diffusion couple is shown.

Comprehensive Understanding of Ductility Loss Mechanisms in Various Steels with External and Internal Hydrogen

NASA Astrophysics Data System (ADS)

Takakuwa, Osamu; Yamabe, Junichiro; Matsunaga, Hisao; Furuya, Yoshiyuki; Matsuoka, Saburo

2017-11-01

Hydrogen-induced ductility loss and related fracture morphologies are comprehensively discussed in consideration of the hydrogen distribution in a specimen with external and internal hydrogen by using 300-series austenitic stainless steels (Types 304, 316, 316L), high-strength austenitic stainless steels (HP160, XM-19), precipitation-hardened iron-based super alloy (A286), low-alloy Cr-Mo steel (JIS-SCM435), and low-carbon steel (JIS-SM490B). External hydrogen is realized by a non-charged specimen tested in high-pressure gaseous hydrogen, and internal hydrogen is realized by a hydrogen-charged specimen tested in air or inert gas. Fracture morphologies obtained by slow-strain-rate tensile tests (SSRT) of the materials with external or internal hydrogen could be comprehensively categorized into five types: hydrogen-induced successive crack growth, ordinary void formation, small-sized void formation related to the void sheet, large-sized void formation, and facet formation. The mechanisms of hydrogen embrittlement are broadly classified into hydrogen-enhanced decohesion (HEDE) and hydrogen-enhanced localized plasticity (HELP). In the HEDE model, hydrogen weakens interatomic bonds, whereas in the HELP model, hydrogen enhances localized slip deformations. Although various fracture morphologies are produced by external or internal hydrogen, these morphologies can be explained by the HELP model rather than by the HEDE model.

An investigation of the plastic fracture of AISI 4340 and 18 nickel - 200 grade maraging steels

NASA Technical Reports Server (NTRS)

Cox, T. B.; Low, J. R., Jr.

1974-01-01

The mechanisms of plastic fracture (dimpled rupture) in high-purity and commercial 18 Ni, 200 grade maraging steels and quenched and tempered AISI 4340 steels have been studied. Plastic fracture takes place in the maraging alloys through void initiation by fracture of titanium carbo-nitride inclusions and the growth of these voids until impingement results in coalescence and final fracture. The fracture of AISI 4340 steel at a yield strength of 200 ksi occurs by nucleation and subsequent growth of voids formed by fracture of the interface between manganese sulfide inclusions and the matrix. The growth of these inclusion-nucleated voids is interrupted long before coalescence by impingement, by the formation of void sheets which connect neighboring sulfide-nucleated voids.

Direct observation of void evolution during cement hydration

DOE PAGES

Moradian, Masoud; Hu, Qinang; Aboustait, Mohammed; ...

2017-09-28

This study follows the hydration of both portland cement and tricalcium silicate pastes between 30 min and 16 h of hydration. In-situ fast X-ray Computed Tomography (fCT) was used to make direct observations of the air-filled void formation in w/s of 0.40 to 0.70 with a micron resolution. The results show that over the first hour of the acceleration period the volume of air-filled voids reaches a maximum value and then decreases during the acceleration period and stays constant. The void distribution changes from a few coarse voids to a large number of smaller and more uniformly distributed voids. Thismore » behavior is suggested to be controlled by changes in the ionic strength that cause exsolution of dissolved air from the pore solution.« less

Direct observation of void evolution during cement hydration

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

Moradian, Masoud; Hu, Qinang; Aboustait, Mohammed

This study follows the hydration of both portland cement and tricalcium silicate pastes between 30 min and 16 h of hydration. In-situ fast X-ray Computed Tomography (fCT) was used to make direct observations of the air-filled void formation in w/s of 0.40 to 0.70 with a micron resolution. The results show that over the first hour of the acceleration period the volume of air-filled voids reaches a maximum value and then decreases during the acceleration period and stays constant. The void distribution changes from a few coarse voids to a large number of smaller and more uniformly distributed voids. Thismore » behavior is suggested to be controlled by changes in the ionic strength that cause exsolution of dissolved air from the pore solution.« less

Voids and the Cosmic Web: cosmic depression & spatial complexity

NASA Astrophysics Data System (ADS)

van de Weygaert, Rien

2016-10-01

Voids form a prominent aspect of the Megaparsec distribution of galaxies and matter. Not only do theyrepresent a key constituent of the Cosmic Web, they also are one of the cleanest probesand measures of global cosmological parameters. The shape and evolution of voids are highly sensitive tothe nature of dark energy, while their substructure and galaxy population provides a direct key to thenature of dark matter. Also, the pristine environment of void interiors is an important testing groundfor our understanding of environmental influences on galaxy formation and evolution. In this paper, we reviewthe key aspects of the structure and dynamics ofvoids, with a particular focus on the hierarchical evolution of the void population. We demonstratehow the rich structural pattern of the Cosmic Web is related to the complex evolution and buildupof voids.

The cosmic web in CosmoGrid void regions

NASA Astrophysics Data System (ADS)

Rieder, Steven; van de Weygaert, Rien; Cautun, Marius; Beygu, Burcu; Portegies Zwart, Simon

2016-10-01

We study the formation and evolution of the cosmic web, using the high-resolution CosmoGrid ΛCDM simulation. In particular, we investigate the evolution of the large-scale structure around void halo groups, and compare this to observations of the VGS-31 galaxy group, which consists of three interacting galaxies inside a large void. The structure around such haloes shows a great deal of tenuous structure, with most of such systems being embedded in intra-void filaments and walls. We use the Nexus+} algorithm to detect walls and filaments in CosmoGrid, and find them to be present and detectable at every scale. The void regions embed tenuous walls, which in turn embed tenuous filaments. We hypothesize that the void galaxy group of VGS-31 formed in such an environment.

Formation of periodic interfacial misfit dislocation array at the InSb/GaAs interface via surface anion exchange

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

Jia, Bo Wen; Tan, Kian Hua; Loke, Wan Khai

The relationship between growth temperature and the formation of periodic interfacial misfit (IMF) dislocations via the anion exchange process in InSb/GaAs heteroepitaxy was systematically investigated. The microstructural and electrical properties of the epitaxial layer were characterized using atomic force microscope, high-resolution x-ray diffraction, transmission electron microscopy, and Hall resistance measurement. The formation of interfacial misfit (IMF) dislocation arrays depended on growth temperature. A uniformly distributed IMF array was found in a sample grown at 310 °C, which also exhibited the lowest threading dislocation density. The analysis suggested that an incomplete As-for-Sb anion exchange process impeded the formation of IMF on samplemore » grown above 310 °C. At growth temperature below 310 °C, island coalescence led to the formation of 60° dislocations and the disruption of periodic IMF array. All samples showed higher electron mobility at 300 K than at 77 K.« less

Dentin-cement Interfacial Interaction

PubMed Central

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

2012-01-01

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

Shock response of nanoporous Cu--A molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Zhao, Fengpeng

2015-06-01

Shock response of porous materials can be of crucial significance for shock physics and bears many practical applications in materials synthesis and engineering. Molecular dynamics simulations are carried out to investigate shock response of nanoporous metal materials, including elastic-plastic deformation, Hugoniot states, shock-induced melting, partial or complete void collapse, hotspot formation, nanojetting, and vaporization. A model nanoporous Cu with cylindrical voids and a high porosity under shocking is established to investigate such physical properties as velocity, temperature, density, stress and von Mises stress at different stages of compression and release. The elastic-plastic and overtaking shocks are observed at different shock strengths. A modified power-law P- α model is proposed to describe the Hugoniot states. The Grüneisen equation of state is validated. Shock-induced melting shows no clear signs of bulk premelting or superheating. Void collapse via plastic flow nucleated from voids, and the exact processes are shock strength dependent. With increasing shock strengths, void collapse transits from the ``geometrical'' mode (collapse of a void is dominated by crystallography and void geometry and can be different from that of one another) to ``hydrodynamic'' mode (collapse of a void is similar to one another). The collapse may be achieved predominantly by plastic flows along the {111} slip planes, by way of alternating compression and tension zones, by means of transverse flows, via forward and transverse flows, or through forward nano-jetting. The internal jetting induces pronounced shock front roughening, leading to internal hotspot formation and sizable high speed jets on atomically flat free surfaces. P. O. Box 919-401, Mianyang, 621900, Sichuan, PRC.

Predictions of one-group interfacial area transport in TRACE

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

Worosz, T.; Talley, J. D.; Kim, S.

In current nuclear reactor system analysis codes utilizing the two-fluid model, flow regime dependent correlations are used to specify the interfacial area concentration (a i). This approach does not capture the continuous evolution of the interfacial structures, and thus, it can pose issues near the transition boundaries. Consequently, a pilot version of the system analysis code TRACE is being developed that employs the interfacial area transport equation (IATE). In this approach, dynamic estimation of a i is provided through mechanistic models for bubble coalescence and breakup. The implementation of the adiabatic, one-group IATE into TRACE is assessed against experimental datamore » from 50 air-water, two-phase flow conditions in pipes ranging in inner diameter from 2.54 to 20.32 cm for both vertical co-current upward and downward flows. Predictions of pressure, void fraction, bubble velocity, and a i data are made. TRACE employing the conventional flow regime-based approach is found to underestimate a i and can only predict linear trends since the calculation is governed by the pressure. Furthermore, trends opposite to that of the data are predicted for some conditions. In contrast, TRACE with the one-group IATE demonstrates a significant improvement in predicting the experimental data with an average disagreement of {+-} 13%. Additionally, TRACE with the one-group IATE is capable of predicting nonlinear axial development of a, by accounting for various bubble interaction mechanisms, such as coalescence and disintegration. (authors)« less

Defect structure of high temperature hydride vapor phase epitaxy-grown epitaxial (0 0 0 1) AlN/sapphire using growth mode modification process

NASA Astrophysics Data System (ADS)

Su, Xujun; Zhang, Jicai; Huang, Jun; Zhang, Jinping; Wang, Jianfeng; Xu, Ke

2017-06-01

Defect structures were investigated by transmission electron microscopy for AlN/sapphire (0 0 0 1) epilayers grown by high temperature hydride vapor phase epitaxy using a growth mode modification process. The defect structures, including threading dislocations, inversion domains, and voids, were analyzed by diffraction contrast, high-resolution imaging, and convergent beam diffraction. AlN film growth was initiated at 1450 °C with high V/III ratio for 8 min. This was followed by low V/III ratio growth for 12 min. The near-interfacial region shows a high density of threading dislocations and inversion domains. Most of these dislocations have Burgers vector b = 1/3〈1 1 2 0〉 and were reduced with the formation of dislocation loops. In the middle range 400 nm < h < 2 μm, dislocations gradually aggregated and reduced to ∼109 cm-2. The inversion domains have a shuttle-like shape with staggered boundaries that deviate by ∼ ±5° from the c axis. Above 2 μm thickness, the film consists of isolated threading dislocations with a total density of 8 × 108 cm-2. Most of threading dislocations are either pure edge or mixed dislocations. The threading dislocation reduction in these films is associated with dislocation loops formation and dislocation aggregation-interaction during island growth with high V/III ratio.

Dynamic Impact of Electrode Materials on Interface of Single-Crystalline Methylammonium Lead Bromide Perovskite

DOE PAGES

Tisdale, Jeremy T.; Muckley, Eric; Ahmadi, Mahshid; ...

2018-06-19

One of the current challenges in methylammonium lead halide (MAPbX 3) perovskite application research is understanding contact formation and interfacial phenomena for highly efficient and stable device performance. For semiconductors, development of contact formation is inseparable from device performance and stability. Single–crystalline MAPbX3 has become of great interest for perovskite devices in photodetectors, light–emitting diodes, and more recently in high–energy radiation detection. Deeper research is required to understand interfacial interactions in single–crystalline MAPbX 3. This article focuses on the dynamic impact of electrode metal (Au and Cr) on methylammonium lead bromide (MAPbBr 3) single crystals. It is studied how chargemore » transport properties of single crystal MAPbBr 3 can be tuned via electrode material selection at the metal/MAPbBr 3 interface to improve device performance with proper contact formation. The ability to create an ohmic–like or nonohmic contact by switching the electrode metal from Cr to Au, respectively, is demonstrated. It is observed that the interfacial charge transfer resistance (recombination resistance) of the Cr/MAPbBr 3 interface is 1.79 × 10 9 Ω, compared to 1.32 × 10 7 Ω for the Au/MAPbBr 3. Cr contacts can reduce hysteretic behavior by reducing interfacial recombination and interfacial polarization. Furthermore, these studies provide insight to metal/MAPbX 3 interfacial interactions toward device engineering for hole transport layer–free MAPbX 3 device structures.« less

Dynamic Impact of Electrode Materials on Interface of Single-Crystalline Methylammonium Lead Bromide Perovskite

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

Tisdale, Jeremy T.; Muckley, Eric; Ahmadi, Mahshid

One of the current challenges in methylammonium lead halide (MAPbX 3) perovskite application research is understanding contact formation and interfacial phenomena for highly efficient and stable device performance. For semiconductors, development of contact formation is inseparable from device performance and stability. Single–crystalline MAPbX3 has become of great interest for perovskite devices in photodetectors, light–emitting diodes, and more recently in high–energy radiation detection. Deeper research is required to understand interfacial interactions in single–crystalline MAPbX 3. This article focuses on the dynamic impact of electrode metal (Au and Cr) on methylammonium lead bromide (MAPbBr 3) single crystals. It is studied how chargemore » transport properties of single crystal MAPbBr 3 can be tuned via electrode material selection at the metal/MAPbBr 3 interface to improve device performance with proper contact formation. The ability to create an ohmic–like or nonohmic contact by switching the electrode metal from Cr to Au, respectively, is demonstrated. It is observed that the interfacial charge transfer resistance (recombination resistance) of the Cr/MAPbBr 3 interface is 1.79 × 10 9 Ω, compared to 1.32 × 10 7 Ω for the Au/MAPbBr 3. Cr contacts can reduce hysteretic behavior by reducing interfacial recombination and interfacial polarization. Furthermore, these studies provide insight to metal/MAPbX 3 interfacial interactions toward device engineering for hole transport layer–free MAPbX 3 device structures.« less

Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive

NASA Astrophysics Data System (ADS)

Shan, Tzu-Ray; Wixom, Ryan R.; Thompson, Aidan P.

2016-08-01

In both continuum hydrodynamics simulations and also multimillion atom reactive molecular dynamics simulations of shockwave propagation in single crystal pentaerythritol tetranitrate (PETN) containing a cylindrical void, we observed the formation of an initial radially symmetric hot spot. By extending the simulation time to the nanosecond scale, however, we observed the transformation of the small symmetric hot spot into a longitudinally asymmetric hot region extending over a much larger volume. Performing reactive molecular dynamics shock simulations using the reactive force field (ReaxFF) as implemented in the LAMMPS molecular dynamics package, we showed that the longitudinally asymmetric hot region was formed by coalescence of the primary radially symmetric hot spot with a secondary triangular hot zone. We showed that the triangular hot zone coincided with a double-shocked region where the primary planar shockwave was overtaken by a secondary cylindrical shockwave. The secondary cylindrical shockwave originated in void collapse after the primary planar shockwave had passed over the void. A similar phenomenon was observed in continuum hydrodynamics shock simulations using the CTH hydrodynamics package. The formation and growth of extended asymmetric hot regions on nanosecond timescales has important implications for shock initiation thresholds in energetic materials.

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

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

X. Wang; X. Sun; H. Zhao

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

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

PubMed

Huang, Zaixing

2011-01-01

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

An observation of prominence condensation out of a coronal void

NASA Astrophysics Data System (ADS)

Wagner, W. J.; Newkirk, G., Jr.; Schmidt, H. U.

1983-02-01

Photographic averaging of cine-camera data-frames from the 7 March 1970 eclipse provided a record of the inner white light corona with unusually high resolution for low-contrast features. The authors report that a coronal void, similar to high corona structures associated with prominence formation (MacQueen et al., 1983), extended low into the corona. During eclipse totality, a coronal rain prominence condensed from the base of the void.

Force field inside the void in complex plasmas under microgravity conditions

NASA Astrophysics Data System (ADS)

Kretschmer, M.; Khrapak, S. A.; Zhdanov, S. K.; Thomas, H. M.; Morfill, G. E.; Fortov, V. E.; Lipaev, A. M.; Molotkov, V. I.; Ivanov, A. I.; Turin, M. V.

2005-05-01

Observations of complex plasmas under microgravity conditions onboard the International Space Station performed with the Plasma-Kristall experiment-Nefedov facility are reported. A weak instability of the boundary between the central void (region free of microparticles) and the microparticle cloud is observed at low gas pressures. The instability leads to periodic injections of a relatively small number of particles into the void region (by analogy this effect is called the “trampoline effect”). The trajectories of injected particles are analyzed providing information on the force field inside the void. The experimental results are compared with theory which assumes that the most important forces inside the void are the electric and the ion drag forces. Good agreement is found clearly indicating that under conditions investigated the void formation is caused by the ion drag force.

Free Volume Structure of Acrylic-Type Dental Nanocomposites Tested with Annihilating Positrons.

PubMed

Shpotyuk, Olha; Ingram, Adam; Shpotyuk, Oleh

2016-12-01

Positron annihilation spectroscopy in lifetime measuring mode exploring conventional fast-fast coincidence ORTEC system is employed to characterize free volume structure of commercially available acrylic-type dental restorative composite Charisma® (Heraeus Kulzer GmbH, Germany). The measured lifetime spectra for uncured and light-cured composites are reconstructed from unconstrained x3-term fitting and semi-empirical model exploring x3-x2-coupling decomposition algorithm. The governing channel of positron annihilation in the composites studied is ascribed to mixed positron-Ps trapping, where Ps decaying in the third component is caused entirely by input from free-volume holes in polymer matrix, while the second component is defined by free positron trapping in interfacial free-volume holes between filler nanoparticles and surrounded polymer matrix. Microstructure scenario of the photopolymerization shrinkage includes cross-linking of structural chains in polymer matrix followed by conversion of bound positron-electron (positronium) traps in positron-trapping interfacial free-volume voids in a vicinity of agglomerated filler nanoparticles.

Current-Assisted Diffusion Bonding of Extruded Ti-22Al-25Nb Alloy by Spark Plasma Sintering: Interfacial Microstructure and Mechanical Properties

NASA Astrophysics Data System (ADS)

Yang, Jianlei; Wang, Guofeng; Jiao, Xueyan; Gu, Yibin; Liu, Qing; Li, You

2018-05-01

Spark plasma sintering (SPS) technology was used to current-assisted bond extruded Ti-22Al-25Nb alloy. The effects of bonding temperature (920-980 °C) and bonding time (10-30 min) on the microstructure evolution and shear strength of this alloy were investigated systematically. The temperature distribution in the specimen during the current-assisted bonding process was also analyzed by numerical simulation. It is noted that the highest temperature was obtained at the bonding interface. As the bonding temperature and bonding time increased, the voids in the interface shrank increasingly until they vanished. A complete metallurgical bonding interface could be produced at 960 °C/20 min/10 MPa, exhibiting the highest shear strength of 269.3 MPa. In addition, the shear strength of the bonded specimen depended on its interfacial microstructure. With increased bonding temperature, the fracture mode transformed from the intergranular fracture at the bonding interface to the cleavage fracture in the substrate.

The effect of weak interface on transverse properties of a ceramic matrix composite

NASA Technical Reports Server (NTRS)

Shimansky, R. A.; Hahn, H. T.; Salamon, N. J.

1990-01-01

Experimental studies conducted at NASA Lewis on SiC reaction-bonded Si3N4 composite system showed that transverse stiffness and strength were much lower than those predicted from existing analytical models based on good interfacial bonding. It was believed that weakened interfaces were responsible for the decrease in tranverse properties. To support this claim, a two-dimensional FEM analysis was performed for a transverse representative volume element. Specifically, the effect of fiber/matrix displacement compatibility at the interface was studied under both tensile and compressive transverse loadings. Interface debonding was represented using active gap elements connecting the fiber and matrix. The analyses show that the transverse tensile strength and stiffness are best predicted when a debonded interface is assumed for the composite. In fact, the measured properties can be predicted by simply replacing the fibers by voids. Thus, it is found that little or no interfacial bonding exists in the composite, and that an elastic analysis can predict the transverse stiffness and strength.

Study of corrosion-related defects of zirconium alloys with slow positron beam

NASA Astrophysics Data System (ADS)

Zhu, Zhejie; Yao, Meiyi; Shi, Jianjian; Yao, Chunlong; Lu, Eryang; Cao, Xingzhong; Wang, Baoyi; Wu, Yichu

2018-09-01

The corrosion behavior of Zr-4 and N5 alloy specimens corroded in 0.01 mol/L LiOH aqueous solution at 360 °C/18.6 MPa and in super heated steam at 400 °C/10.3 MPa for 1, 3 and 14 days were investigated by slow positron beam based Doppler broadening spectroscopy. Results showed that there was an evident interfacial layer with pre-existed vacancies and voids in uncorroded Zr-4 specimens, while in uncorroded N5 specimen, the interfacial defect layer can not be identified or a thin interfacial layer was only contained. When the specimens were corroded in super heated steam at 400 °C/10.3 MPa for a few days, the existence of the interface layer in the Zr-4 specimen would delay the diffusion rate of the oxygen atoms and decelerated the oxidation rate of the corrosion process. However, at very early stage of the corrosion, as Zr-4 and N5 specimens were corrded in 0.01 mol/L LiOH aqueous solution at 360 °C/18.6 MPa, the effect of Li+ accelerated the diffusion rate of the oxygen atoms, while the effect of the interface defect layer became a minor effect.

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

NASA Astrophysics Data System (ADS)

Ozar, Basar

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

Void Management in MEPHISTO and Other Space Experiments

NASA Technical Reports Server (NTRS)

deGroh, Henry C., III; Johnston, J. Christopher; Wei, Bingbo

1998-01-01

The second flight of NASA's Shuttle Flight experiment program known as MEPHISTO suffered from a void in the liquid portion of the sample, even though a piston arrangement was in place to keep the ampoule filled. In preparations for the next flight of the MEPHISTO furnace an animated computer program, called MEPHISTO Volume Visualizer (MVV), was written to help avoid the formation of unwanted voids. A piston system on MEPHISTO has the ability to move approximately 5 mm in compression, to accommodate expansion of the solid during heating; then from the completely compressed position, the piston can move up to 25 mm in towards the sample, effectively making the ampoule smaller and hopefully eliminating any voids. Due to the nature of the piston design and ampoule and sample arrangement, the piston has gotten stuck during normal directional solidification; this creates the risk of a void. To eliminate such a void, the liquid in the hot zones of the furnace can be heated, thereby expanding the liquid and consuming any void. The problem with this approach is that if the liquid is heated too much an overpressure could result, breaking the ampoule and ending the experiment catastrophically. The MVV has been found to be a useful tool in the assessment of the risks associated with the formation of a void and the additional heating of the liquid in the hot zone of this Bridgman type furnace. The MVV software will be discussed and copies available; it is written in the Delphi 2 programming language and runs under Windows 95 and NT. The strategies used in other flight experiments, such as the Isothermal Dendritic Growth Experiment, will also be presented.

Studying the Dependency of Interfacial Formation with Carbon Nanotube

DTIC Science & Technology

2014-08-27

PROGRAM ELEMENT NUMBER 6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND...duration of this project toward understanding the interfacial formation and dependency on SWNT and its relationship to the nanotube length. SECTION II...obtained from Kuraray America Inc. Dimethyl sulfoxide (DMSO) was purchased from Sigma -Aldrich Corporation (CAS# 67-68-5, lot# 472301). Methanol was

Seamless growth of a supramolecular carpet

PubMed Central

Kim, Ju-Hyung; Ribierre, Jean-Charles; Yang, Yu Seok; Adachi, Chihaya; Kawai, Maki; Jung, Jaehoon; Fukushima, Takanori; Kim, Yousoo

2016-01-01

Organic/metal interfaces play crucial roles in the formation of intermolecular networks on metal surfaces and the performance of organic devices. Although their purity and uniformity have profound effects on the operation of organic devices, the formation of organic thin films with high interfacial uniformity on metal surfaces has suffered from the intrinsic limitation of molecular ordering imposed by irregular surface structures. Here we demonstrate a supramolecular carpet with widely uniform interfacial structure and high adaptability on a metal surface via a one-step process. The high uniformity is achieved with well-balanced interfacial interactions and site-specific molecular rearrangements, even on a pre-annealed amorphous gold surface. Co-existing electronic structures show selective availability corresponding to the energy region and the local position of the system. These findings provide not only a deeper insight into organic thin films with high structural integrity, but also a new way to tailor interfacial geometric and electronic structures. PMID:26839053

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

Zhou, Weidong; Li, Yutao; Xin, Sen

A reversible plating/stripping of a dendrite-free metallic-sodium anode with a reduced anode/ceramic interfacial resistance is created by a thin interfacial interlayer formed in situ or by the introduction of a dry polymer film. Wetting of the sodium on the interfacial interlayer suppresses dendrite formation and growth at different discharge/charge C-rates. Furthermore, all-solid-state batteries were obtained with a high cycling stability and Coulombic efficiency at 65 °C.

Interfacial film formation: influence on oil spreading rates in lab basin tests and dispersant effectiveness testing in a wave tank.

PubMed

King, Thomas L; Clyburne, Jason A C; Lee, Kenneth; Robinson, Brian J

2013-06-15

Test facilities such as lab basins and wave tanks are essential when evaluating the use of chemical dispersants to treat oil spills at sea. However, these test facilities have boundaries (walls) that provide an ideal environment for surface (interfacial) film formation on seawater. Surface films may form from surfactants naturally present in crude oil as well as dispersant drift/overspray when applied to an oil spill. The objective of this study was to examine the impact of surface film formation on oil spreading rates in a small scale lab basin and on dispersant effectiveness conducted in a large scale wave tank. The process of crude oil spreading on the surface of the basin seawater was influenced in the presence of a surface film as shown using a 1st order kinetic model. In addition, interfacial film formation can greatly influence chemically dispersed crude oil in a large scale dynamic wave tank. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

Spontaneous Self-Formation of 3D Plasmonic Optical Structures.

PubMed

Choi, Inhee; Shin, Yonghee; Song, Jihwan; Hong, SoonGweon; Park, Younggeun; Kim, Dongchoul; Kang, Taewook; Lee, Luke P

2016-08-23

Self-formation of colloidal oil droplets in water or water droplets in oil not only has been regarded as fascinating fundamental science but also has been utilized in an enormous number of applications in everyday life. However, the creation of three-dimensional (3D) architectures by a liquid droplet and an immiscible liquid interface has been less investigated than other applications. Here, we report interfacial energy-driven spontaneous self-formation of a 3D plasmonic optical structure at room temperature without an external force. Based on the densities and interfacial energies of two liquids, we simulated the spontaneous formation of a plasmonic optical structure when a water droplet containing metal ions meets an immiscible liquid polydimethylsiloxane (PDMS) interface. At the interface, the metal ions in the droplet are automatically reduced to form an interfacial plasmonic layer as the liquid PDMS cures. The self-formation of both an optical cavity and integrated plasmonic nanostructure significantly enhances the fluorescence by a magnitude of 1000. Our findings will have a huge impact on the development of various photonic and plasmonic materials as well as metamaterials and devices.

The weathering effect in natural environment on kenaf blast and unsaturated polyester composite

NASA Astrophysics Data System (ADS)

Mohammed, M.; Rozyanty, A. R.; Beta, B. O.; Adam, T.; Osman, A. F.; Salem, I. A. S.; Dahham, O. S.; Al-Samarrai, M. N.; Mohammed, A. M.

2017-10-01

A Kenaf composite was prepared by using hand lay-up process. The effect of weather on mechanical, morphology and thermal properties of kenaf composite were studied. Tensile strength of kenaf compositewas found to be 60MPa. Unfortunately, tensile strength of thecomposite starts to decrease after the first weathering month through to the weathering periods with constant reduction of tensile, at the end of the wreathing period., almost 85% the composite mechanical behaviour is lost. From the mechanical properties result obtained it clearly seen that natural fiber and their composites are not able to stand environmental condition because they have poor wettability, incompatibility with some polymeric matrices and high moisture absorption. Due to the high moisture absorption properties, there are formations of void in interfacial adhesion between fiber and matrix which can reduce the mechanical properties of composite such as flexural strength or flexural modulus this clearly supported by SEM results. Fortunately some modification can do towards improving the mechanical properties and it is good enough to achieve the high performance of the composite with proper system formulation during the modification processand the result of reinforced kenaffiber will be presented in our next publication.

Smooth Interfacial Scavenging for Resistive Switching Oxide via the Formation of Highly Uniform Layers of Amorphous TaOx.

PubMed

Tsurumaki-Fukuchi, Atsushi; Nakagawa, Ryosuke; Arita, Masashi; Takahashi, Yasuo

2018-02-14

We demonstrate that the inclusion of a Ta interfacial layer is a remarkably effective strategy for forming interfacial oxygen defects at metal/oxide junctions. The insertion of an interfacial layer of a reactive metal, that is, a "scavenging" layer, has been recently proposed as a way to create a high concentration of oxygen defects at an interface in redox-based resistive switching devices, and growing interest has been given to the underlying mechanism. Through structural and chemical analyses of Pt/metal/SrTiO 3 /Pt structures, we reveal that the rate and amount of oxygen scavenging are not directly determined by the formation free energies in the oxidation reactions of the scavenging metal and unveil the important roles of oxygen diffusibility. Active oxygen scavenging and highly uniform oxidation via scavenging are revealed for a Ta interfacial layer with high oxygen diffusibility. In addition, the Ta scavenging layer is shown to exhibit a highly uniform structure and to form a very flat interface with SrTiO 3 , which are advantageous for the fabrication of a steep metal/oxide contact.

Highly efficient organic light-emitting diodes with a quantum dot interfacial layer.

PubMed

Ryu, Seung Yoon; Hwang, Byoung Har; Park, Ki Wan; Hwang, Hyeon Seok; Sung, Jin Woo; Baik, Hong Koo; Lee, Chang Ho; Song, Seung Yong; Lee, Jun Yeob

2009-02-11

Advanced organic light-emitting diodes (OLEDs), based on a multiple structure, were achieved in combination with a quantum dot (QD) interfacial layer. The authors used core/shell CdSe/ZnS QDs passivated with trioctylphosphine oxide (TOPO) and TOPO-free QDs as interlayers. Multiple-structure OLEDs (MOLEDs) with TOPO-free QDs showed higher device efficiency because of a well-defined interfacial monolayer formation. Additionally, the three-unit MOLED showed high performance for device efficiency with double-structured QD interfacial layers due to the enhanced charge balance and recombination probability.

Shrinkage void formation and its effect on freeze and thaw processes of lithium and lithium-fluoride for space applications

NASA Astrophysics Data System (ADS)

Yang, Jae-Young; El-Genk, M. S.

1991-07-01

The effects of shrinkage void forming during freezing of lithium and lithium-fluoride on subsequent thaw processes are investigated using a numerical scheme that is based on a single (solid/liquid) cell approach. Results show that a void forming at the wall appreciably reduces the solid-liquid interface velocity, during both freeze and thaw, and causes a substantial rise in the wall temperature during thaw. However, in the case of Li, the maximum wall temperature was much lower than the melting temperature of PWC-11, which is used as the structure material in the SP-100 system. Hence, it is concluded that a formation of hot spots is unlikely during the startup or restart of the SP-100 system.

Shrinkage void formation and its effect on freeze and thaw processes of lithium and lithium-fluoride for space applications

NASA Technical Reports Server (NTRS)

Yang, Jae Y.; El-Genk, Mohamed S.

1991-01-01

The effects of shrinkage void forming during freezing of lithium and lithium fluoride on subsequent thaw processes are investigated using a numerical scheme that is based on a single (solid/liquid) cell approach. Results show that a void forming at the wall appreciably reduces the solid-liquid interface velocity, during both freeze and thaw, and causes a substantial rise in the wall temperature during thaw. However, in the case of Li, the maximum wall temperature was much lower than the melting temperature of PWC-11, which is used as the structure material in the SP-100 system. Hence, it is concluded that a formation of hot spots is unlikely during the startup or restart of the SP-100 system.

The study of voids in the AuAl thin-film system using the nuclear microprobe

NASA Astrophysics Data System (ADS)

de Waal, H. S.; Pretorius, R.; Prozesky, V. M.; Churms, C. L.

1997-07-01

A Nuclear Microprobe (NMP) was used to study void formation in thin film gold-aluminium systems. Microprobe Rutherford Backscattering Spectrometry (μRBS) was utilised to effectively obtain a three-dimensional picture of the void structure on the scale of a few nanometers in the depth dimension and a few microns in the in-plane dimension. This study illustrates the usefulness of the NMP in the study of materials and specifically thin-film structures.

Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive

DOE PAGES

Shan, Tzu -Ray; Wixom, Ryan R.; Thompson, Aidan P.

2016-08-01

In both continuum hydrodynamics simulations and also multimillion atom reactive molecular dynamics simulations of shockwave propagation in single crystal pentaerythritol tetranitrate (PETN) containing a cylindrical void, we observed the formation of an initial radially symmetric hot spot. By extending the simulation time to the nanosecond scale, however, we observed the transformation of the small symmetric hot spot into a longitudinally asymmetric hot region extending over a much larger volume. Performing reactive molecular dynamics shock simulations using the reactive force field (ReaxFF) as implemented in the LAMMPS molecular dynamics package, we showed that the longitudinally asymmetric hot region was formed bymore » coalescence of the primary radially symmetric hot spot with a secondary triangular hot zone. We showed that the triangular hot zone coincided with a double-shocked region where the primary planar shockwave was overtaken by a secondary cylindrical shockwave. The secondary cylindrical shockwave originated in void collapse after the primary planar shockwave had passed over the void. A similar phenomenon was observed in continuum hydrodynamics shock simulations using the CTH hydrodynamics package. Furthermore, the formation and growth of extended asymmetric hot regions on nanosecond timescales has important implications for shock initiation thresholds in energetic materials.« less

Extended asymmetric hot region formation due to shockwave interactions following void collapse in shocked high explosive

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

Shan, Tzu -Ray; Wixom, Ryan R.; Thompson, Aidan P.

In both continuum hydrodynamics simulations and also multimillion atom reactive molecular dynamics simulations of shockwave propagation in single crystal pentaerythritol tetranitrate (PETN) containing a cylindrical void, we observed the formation of an initial radially symmetric hot spot. By extending the simulation time to the nanosecond scale, however, we observed the transformation of the small symmetric hot spot into a longitudinally asymmetric hot region extending over a much larger volume. Performing reactive molecular dynamics shock simulations using the reactive force field (ReaxFF) as implemented in the LAMMPS molecular dynamics package, we showed that the longitudinally asymmetric hot region was formed bymore » coalescence of the primary radially symmetric hot spot with a secondary triangular hot zone. We showed that the triangular hot zone coincided with a double-shocked region where the primary planar shockwave was overtaken by a secondary cylindrical shockwave. The secondary cylindrical shockwave originated in void collapse after the primary planar shockwave had passed over the void. A similar phenomenon was observed in continuum hydrodynamics shock simulations using the CTH hydrodynamics package. Furthermore, the formation and growth of extended asymmetric hot regions on nanosecond timescales has important implications for shock initiation thresholds in energetic materials.« less

Thermal modeling using enthalpy methods to aid in the study of microstructural changes of multilayered phase change optical memories

NASA Astrophysics Data System (ADS)

Nagpal, Swati; Aurora, Aradhna

1999-11-01

In DOW type of phase change optical memories the focus has been mainly on gestate based systems due to their good overwriting capability and very high order cyclability. To avoid the material deterioration problems such as material flow, high melting point, high viscosity or high-density components such as CrTe, (which have the same refractive index) can be added to the active layer. This has led to an improved performance of overwrite cycles from 105 to 106. Material flow occurs due to void formation. Voids and sinks are formed due to porosity of the active layer because the active layer has a density lower than that of the bulk material. One of the reasons for the formation and coalescence of voids is the way in which the film is deposited viz. Sputtering which makes Ar atoms accumulate in the films during deposition. Also the mechanical strength of the protective layer effects the repeatability of the active layer. All the above mentioned processes occur during melting and re- solidification of the nano-sized spots which are laser irradiated. Since the structure of the protective layers is very important in controlling the void formation, it is very important to study the thermal modeling of the full layer structure.

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

NASA Astrophysics Data System (ADS)

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

2013-07-01

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

Method for loading explosive laterally from a borehole

DOEpatents

Ricketts, Thomas E.

1981-01-01

There is provided a method for forming an in situ oil shale retort in a subterranean formation containing oil shale. At least one void is excavated in the formation, leaving zones of unfragmented formation adjacent the void. An array of main blastholes is formed in the zone of unfragmented formation and at least one explosive charge which is shaped for forming a high velocity gas jet is placed into a main blasthole with the axis of the gas jet extending transverse to the blasthole. The shaped charge is detonated for forming an auxiliary blasthole in the unfragmented formation adjacent a side wall of the main blasthole. The auxiliary blasthole extends laterally away from the main blasthole. Explosive is placed into the main blasthole and into the auxiliary blasthole and is detonated for explosively expanding formation towards the free face for forming a fragmented permeable mass of formation particles in the in situ oil shale retort.

Nanoscale interfacial defect shedding in a growing nematic droplet.

PubMed

Gurevich, Sebastian; Provatas, Nikolas; Rey, Alejandro

2017-08-01

Interfacial defect shedding is the most recent known mechanism for defect formation in a thermally driven isotropic-to-nematic phase transition. It manifests in nematic-isotropic interfaces going through an anchoring switch. Numerical computations in planar geometry established that a growing nematic droplet can undergo interfacial defect shedding, nucleating interfacial defect structures that shed into the bulk as +1/2 point defects. By extending the study of interfacial defect shedding in a growing nematic droplet to larger length and time scales, and to three dimensions, we unveil an oscillatory growth mode involving shape and anchoring transitions that results in a controllable regular distributions of point defects in planar geometry, and complex structures of disclination lines in three dimensions.

Growth Kinetics and Mechanics of Hydrate Films by Interfacial Rheology.

PubMed

Leopércio, Bruna C; de Souza Mendes, Paulo R; Fuller, Gerald G

2016-05-03

A new approach to study and understand the kinetics and mechanical properties of hydrates by interfacial rheology is presented. This is made possible using a "double wall ring" interfacial rheology cell that has been designed to provide the necessary temperature control. Cyclopentane and water are used to form hydrates, and this model system forms these structures at ambient pressures. Different temperature and water/hydrocarbon contact protocols are explored. Of particular interest is the importance of first contacting the hydrocarbon against ice crystals in order to initiate hydrate formation. Indeed, this is found to be the case, even though the hydrates may be created at temperatures above the melting point of ice. Once hydrates completely populate the hydrocarbon/water interface, strain sweeps of the interfacial elastic and viscous moduli are conducted to interrogate the mechanical response and fragility of the hydrate films. The dependence on temperature, Tf, by the kinetics of formation and the mechanical properties is reported, and the cyclopentane hydrate dissociation temperature was found to be between 6 and 7 °C. The formation time (measured from the moment when cyclopentane first contacts ice crystals) as well as the elastic modulus and the yield strain increase as Tf increases.

Monte Carlo studies on the interfacial properties and interfacial structures of ternary symmetric blends with gradient copolymers.

PubMed

Sun, Dachuan; Guo, Hongxia

2012-08-09

Using Monte Carlo simulation methods, the effects of the comonomer sequence distribution on the interfacial properties (including interfacial tension, interfacial thickness, saturated interfacial area per copolymer, and bending modulus) and interfacial structures (including chain conformations and comonomer distributions of the simulated copolymers at the interfaces) of a ternary symmetric blend containing two immiscible homopolymers and one gradient copolymer are investigated. We find that copolymers with a larger composition gradient width have a broader comonomer distribution along the interface normal, and hence more pronouncedly enlarge the interfacial thickness and reduce the interfacial tension. Furthermore, the counteraction effect, which arises from the tendency of heterogeneous segments in gradient copolymers to phase separate and enter their miscible phases to reduce the local enthalpy, decreases the stretching of copolymers along the interface normal direction. As a result, copolymers with a larger width of gradient composition can occupy a larger interfacial area and form softer monolayers at saturation and are more efficient in facilitating the formation of bicontinuous microemulsions. Additionally, chain length ratio, segregation strength, and interactions between homopolymers and copolymers can alter the interfacial character of gradient copolymers. There exists a strong coupling between the comonomer sequence distribution, chain conformation, and interfacial properties. Especially, bending modulus is mainly determined by the complicated interplay of interfacial copolymer density and interfacial chain conformation.

High energy X-ray CT study on the central void formations and the fuel pin deformations of FBR fuel assemblies

NASA Astrophysics Data System (ADS)

Katsuyama, Kozo; Nagamine, Tsuyoshi; Matsumoto, Shin-ichiro; Sato, Seichi

2007-02-01

The central void formations and deformations of fuel pins were investigated in fuel assemblies irradiated to high burn-up, using a non-destructive X-ray CT (computer tomography) technique. In this X-ray CT, the effect of strong gamma ray activity could be reduced to a negligible degree by using the pulse of a high energy X-ray source and detecting the intensity of the transmitted X-rays in synchronization with the generated X-rays. Clear cross-sectional images of fuel assemblies irradiated to high burn-up in a fast breeder reactor were successively obtained, in which the wrapping wires, cladding, pellets and central voids could be distinctly seen. The diameter of a typical central void measured by X-ray CT agreed with the one obtained by ceramography within an error of 0.1 mm. Based on this result, the dependence of the central void diameter on the linear heating rate was analyzed. In addition, the deformation behavior of a fuel pin along its axial direction could be analyzed from 20 stepwise X-ray cross-sectional images obtained in a small interval, and the results obtained showed a good agreement with the predictions calculated by two computer codes.

The Role of Water in Mediating Interfacial Adhesion and Shear Strength in Graphene Oxide.

PubMed

Soler-Crespo, Rafael A; Gao, Wei; Mao, Lily; Nguyen, Hoang T; Roenbeck, Michael R; Paci, Jeffrey T; Huang, Jiaxing; Nguyen, SonBinh T; Espinosa, Horacio D

2018-06-12

Graphene oxide (GO), whose highly tunable surface chemistry enables the formation of strong interfacial hydrogen-bond networks, has garnered increasing interest in the design of devices that operate in the presence of water. For instance, previous studies have suggested that controlling GO's surface chemistry leads to enhancements in interfacial shear strength, allowing engineers to manage deformation pathways and control failure mechanisms. However, these previous reports have not explored the role of ambient humidity and only offer extensive chemical modifications to GO's surface as the main pathway to control GO's interfacial properties. Herein, through atomic force microscopy experiments on GO-GO interfaces, the adhesion energy and interfacial shear strength of GO were measured as a function of ambient humidity. Experimental evidence shows that adhesion energy and interfacial shear strength can be improved by a factor of 2-3 when GO is exposed to moderate (∼30% water weight) water content. Furthermore, complementary molecular dynamics simulations uncovered the mechanisms by which these nanomaterial interfaces achieve their properties. They reveal that the strengthening mechanism arises from the formation of strongly interacting hydrogen-bond networks, driven by the chemistry of the GO basal plane and intercalated water molecules between two GO surfaces. In summary, the methodology and findings here reported provide pathways to simultaneously optimize GO's interfacial and in-plane mechanical properties, by tailoring the chemistry of GO and accounting for water content, in engineering applications such as sensors, filtration membranes, wearable electronics, and structural materials.

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.

Rechargeable sodium all-solid-state battery

DOE PAGES

Zhou, Weidong; Li, Yutao; Xin, Sen; ...

2017-01-03

A reversible plating/stripping of a dendrite-free metallic-sodium anode with a reduced anode/ceramic interfacial resistance is created by a thin interfacial interlayer formed in situ or by the introduction of a dry polymer film. Wetting of the sodium on the interfacial interlayer suppresses dendrite formation and growth at different discharge/charge C-rates. Furthermore, all-solid-state batteries were obtained with a high cycling stability and Coulombic efficiency at 65 °C.

Rechargeable Sodium All-Solid-State Battery

PubMed Central

2017-01-01

A reversible plating/stripping of a dendrite-free metallic-sodium anode with a reduced anode/ceramic interfacial resistance is created by a thin interfacial interlayer formed in situ or by the introduction of a dry polymer film. Wetting of the sodium on the interfacial interlayer suppresses dendrite formation and growth at different discharge/charge C-rates. All-solid-state batteries were obtained with a high cycling stability and Coulombic efficiency at 65 °C. PMID:28149953

Application of X-Ray Computer Tomography for Observing the Central Void Formations and the Fuel Pin Deformations of Irradiated FBR Fuel Assemblies

NASA Astrophysics Data System (ADS)

Katsuyama, Kozo; Nagamine, Tsuyoshi; Furuya, Hirotaka

2010-10-01

In order to observe the structural change in the interior of irradiated fuel assemblies, a non-destructive post-irradiation examination (PIE) technique using X-ray computer tomography (X-ray CT) was developed. This X-ray CT technique was applied to observe the central void formations and fuel pin deformations of fuel assemblies which had been irradiated at high linear heat rating. The central void sizes in all fuel pins were measured on five cross sections of the core fuel column as a parameter for evaluating fuel thermal performance. In addition, the fuel pin deformations were analyzed from X-ray CT images obtained along the axial direction of a fuel assembly at the same separation interval. A dependence of void size on the linear heat rating was seen in the fuel assembly irradiated at high linear heat rating. In addition, significant undulations of the fuel pin were observed along the axial direction, coinciding with the wrapping wire pitch in the core fuel column. Application of the developed technique should provide enhanced resolution of measurements and simplify fuel PIEs.

Float zone growth and spectroscopic properties of Yb:CaYAlO4 single crystal for ultra-short pulse lasers

NASA Astrophysics Data System (ADS)

Narita, Moe; Higuchi, Mikio; Ogawa, Takayo; Wada, Satoshi; Miura, Akira; Tadanaga, Kiyoharu

2018-06-01

Yb:CaYAlO4 single crystals were grown by the floating zone method and their spectral properties were investigated. Void formation was effectively suppressed by using a feed rod of Y-rich composition with the aid of a double zone-pass technique. For the oxygen excess composition of Yb:Ca0.9925Y1.0075AlO4.00375, a void-free crystal was obtained by performing only the double zone-pass. On the other hand, for cation-deficient type of Yb:Ca0.9925Y1.005AlO4, void-free crystal could not be obtained by performing the double zone-pass. The void formation is attributable to the constitutional supercooling caused by segregation of main constituents of Y and Ca, and the congruent composition may exist in the Y-rich region with existence of interstitial excess oxide ions. The absorption cross section for σ-polarization was slightly larger than that for π-polarization, which is reasonable on the basis of the crystal structure of CaYAlO4.

ONLY THE LONELY: H I IMAGING OF VOID GALAXIES

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

Kreckel, K.; Van Gorkom, J. H.; Platen, E.

2011-01-15

Void galaxies, residing within the deepest underdensities of the Cosmic Web, present an ideal population for the study of galaxy formation and evolution in an environment undisturbed by the complex processes modifying galaxies in clusters and groups, as well as provide an observational test for theories of cosmological structure formation. We have completed a pilot survey for the H I imaging aspects of a new Void Galaxy Survey (VGS), imaging 15 void galaxies in H I in local (d < 100 Mpc) voids. H I masses range from 3.5 x 10{sup 8} to 3.8 x 10{sup 9} M{sub sun}, withmore » one nondetection with an upper limit of 2.1 x 10{sup 8} M{sub sun}. Our galaxies were selected using a structural and geometric technique to produce a sample that is purely environmentally selected and uniformly represents the void galaxy population. In addition, we use a powerful new backend of the Westerbork Synthesis Radio Telescope that allows us to probe a large volume around each targeted galaxy, simultaneously providing an environmentally constrained sample of fore- and background control samples of galaxies while still resolving individual galaxy kinematics and detecting faint companions in H I. This small sample makes up a surprisingly interesting collection of perturbed and interacting galaxies, all with small stellar disks. Four galaxies have significantly perturbed H I disks, five have previously unidentified companions at distances ranging from 50 to 200 kpc, two are in interacting systems, and one was found to have a polar H I disk. Our initial findings suggest void galaxies are a gas-rich, dynamic population which present evidence of ongoing gas accretion, major and minor interactions, and filamentary alignment despite the surrounding underdense environment.« less

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

PubMed

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

2016-10-21

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

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

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

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

2016-07-28

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

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

PubMed

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

2015-08-01

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

Adhesion of voids to bimetal interfaces with non-uniform energies

DOE PAGES

Zheng, Shijian; Shao, Shuai; Zhang, Jian; ...

2015-10-21

Interface engineering has become an important strategy for designing radiation-resistant materials. Critical to its success is fundamental understanding of the interactions between interfaces and radiation-induced defects, such as voids. Using transmission electron microscopy, here we report an interesting phenomenon in their interaction, wherein voids adhere to only one side of the bimetal interfaces rather than overlapping them. We show that this asymmetrical void-interface interaction is a consequence of differing surface energies of the two metals and non-uniformity in their interface formation energy. Specifically, voids grow within the phase of lower surface energy and wet only the high-interface energy regions. Furthermore,more » because this outcome cannot be accounted for by wetting of interfaces with uniform internal energy, our report provides experimental evidence that bimetal interfaces contain non-uniform internal energy distributions. Ultimately, this work also indicates that to design irradiation-resistant materials, we can avoid void-interface overlap via tuning the configurations of interfaces.« less

Void Formation/Elimination and Viscoelastic Response of Polyphenylsilsesquioxane Monolith.

PubMed

Daiko, Yusuke; Oda, Yuki; Honda, Sawao; Iwamoto, Yuji

2018-05-19

Polyphenylsilsesquioxane (PhSiO 3/2 ) particles as an organic-inorganic hybrid were prepared using sol-gel method, and monolithic samples were obtained via a warm-pressing. The reaction mechanism of particles' polymerization and transformation to the monolith under the warm-press were investigated using solid state 29 Si nuclear magnetic resonance (NMR) spectrometer, thermal gravimetric-differential thermal analyzer (TG-DTA), mass spectrometer (MS) and scanning electron microscope (SEM). Transparent and void-free monoliths are successfully obtained by warm-pressing above 180 °C. Both the terminal ⁻OH groups on particles' surface and warm-pressing are necessary for preparation of void-free PhSiO 3/2 monolith. From the load-displacement measurement at various temperatures, a viscoelastic deformation is seen for PhSiO 3/2 monolith with voids. On the other hand, an elastic deformation is seen for void-free PhSiO 3/2 monolith, and the void-free monolith shows much higher breakdown voltage.

Voids as alternatives to dark energy and the propagation of γ rays through the universe.

PubMed

DeLavallaz, Arnaud; Fairbairn, Malcolm

2012-04-27

We test the opacity of a void universe to TeV energy γ rays having obtained the extragalactic background light in that universe using a simple model and the observed constraints on the star formation rate history. We find that the void universe has significantly more opacity than a Λ cold dark matter universe, putting it at odds with observations of BL-Lac objects. We argue that while this method of distinguishing between the two cosmologies contains uncertainties, it circumvents any debates over fine-tuning.

Identification of the formation of metal-vinylidene interfacial bonds of alkyne-capped platinum nanoparticles by isotopic labeling.

PubMed

Hu, Peiguang; Chen, Limei; Deming, Christopher P; Bonny, Lewis W; Lee, Hsiau-Wei; Chen, Shaowei

2016-10-07

Stable platinum nanoparticles were prepared by the self-assembly of 1-dodecyne and dodec-1-deuteroyne onto bare platinum colloid surfaces. The nanoparticles exhibited consistent core size and optical properties. FTIR and NMR measurements confirmed the formation of Pt-vinylidene (Pt[double bond, length as m-dash]C[double bond, length as m-dash]CH-) interfacial linkages rather than Pt-acetylide (Pt-C[triple bond, length as m-dash]C-) and platinum-hydride (Pt-H) bonds.

Method for improving the performance of oxidizable ceramic materials in oxidizing environments

NASA Technical Reports Server (NTRS)

Nagaraj, Bangalore A. (Inventor)

2002-01-01

Improved adhesion of thermal barrier coatings to nonmetallic substrates using a dense layer of ceramic on an underlying nonmetallic substrate that includes at least one oxidizable component. The improved adhesion occurs because the application of the dense ceramic layer forms a diffusion barrier for oxygen. This diffusion barrier prevents the oxidizable component of the substrate from decomposing. The present invention applies ceramic by a process that deposits a relatively thick and dense ceramic layer on the underlying substrate. The formation of the dense layer of ceramic avoids the problem of void formation associated with ceramic formation by most prior art thermal decomposition processes. The formation of voids has been associated with premature spalling of thermal barrier layers and other protective layers applied to substrates.

Influence of Strain Rate, Microstructure and Chemical and Phase Composition on Mechanical Behavior of Different Titanium Alloys

NASA Astrophysics Data System (ADS)

Markovsky, P. E.; Bondarchuk, V. I.

2017-07-01

Taking three titanium commercial alloys: commercial purity titanium (c.p.Ti), Ti-6-4 (Ti-6(wt.%)Al-4V) and TIMETAL-LCB (Ti-1.5Al-4.5Fe-6.8Mo) as program materials, the influence of phase composition, microstructure and strain rate (varied from 8 × 10-4 to 1.81 × 10-1) on the mechanical behavior was studied. The size of the matrix phase ( α- or β-grains) and size of α + β intragranular mixture were varied. Such parameter such as tensile toughness (TT) was used for analysis of the mechanical behavior of the materials on tension with different rates. It was found that the TT values monotonically decreased with strain rate, except Ti-6-4 alloy with a globular type of microstructure. In single-phase α-material (c.p.Ti), tensile deformation led to the formation of voids at the intragranular cell substructure, and merging of these voids caused the formation of main crack. In two-phase α + β materials, the deformation defects were localized upon tension predominantly near the α/ β interphase boundaries, and subsequent fracture had different characters: In Ti-6-4 globular condition fracture started by formation of voids at the α/ β interphase boundaries, whereas in all other conditions the voids nucleated at the tips of α-lamellae/needles.

Void and pore formation inside the hair cortex by a denaturation and super-contraction process occurring during hair setting with hot irons.

PubMed

Gamez-Garcia, Manuel

2011-01-01

An analysis of hair fibers from donors that frequently use hot irons for hair straightening showed the presence of multiple pores and voids (φ approximately 0.1-1.5 μm) that extend from the cuticle sheath to regions inside the hair cortex. Pore formation in the cortex was found to be confined at its periphery and could be reproduced in the laboratory with virgin hair fibers after the application of various hot-iron straightening cycles. The appearance of pores and voids in the cortex was found to be associated to the production of hot water vapor while the fiber is undergoing mechanical elongation or contraction. The number of pores was seen to rapidly increase with temperature in the range from 190 to 220°C and also with the number of straightening cycles. Larger hair voids (φ approximately 2-5 μm) were also detected in the cortex. The small pores found at the cortex periphery appear to occur by the simultaneous occurrence of rearrangement of hair proteins, fiber mechanical contraction/expansion, and the flow of super-heated steam. Hot irons create, thus, the conditions for the onset of pore formation as the high temperatures produce superheated steam and soften the native state of hair proteins by a process involving denaturation and changes in the crystalline regions.

The Initial Comparison Study of Sodium Lignosulfonate, Sodium Dodecyl Benzene Sulfonate, and Sodium p-Toluene Sulfonate Surfactant for Enhanced Oil Recovery

NASA Astrophysics Data System (ADS)

Khoirul Anas, Argo; Iman Prakoso, Nurcahyo; Sasvita, Dilla

2018-04-01

Surfactant (surface active agent) exhibit numerous interesting properties that enable their use as additional component in mobilising of residual oil from capillary pore after secondary recovery process using gas injection and water flooding. In this study, Sodium Lignosulfonate (SLS) surfactant was successfully synthesized by applying batch method using lignin from oil palm empty fruit bunches as precursor. Furthermore, its performance in reducing interfacial tension of crude oil and formation water colloidal system was compared with commercial available surfactant including Sodium Dodecyl Benzene Sulfonate (SDBS) and Sodium p-Toluene Sulfonate (SpTS). The synthesized SLS surfactant was characterized by using Fourier Transform Infrared (FTIR) spectroscopy. Meanwhile, its performance in reducing interfacial tension of crude oil and formation water colloidal system was analyzed by using compatibility test, phase behaviour analysis, and interfacial tension (IFT) measurement. The compatibility test shows that SLS, SDBS, and SpTS surfactants were compatible with formation water. In addition, the phase behaviour analysis shows that SLS surfactant was better than SpTS surfactant, while SDBS surfactant generates the highest performance proved by the best microemulsion formation resulted by SDBS. Furthermore, the optimum concentration of SLS, SDBS, and SpTS surfactants in reducing the interfacial tension of crude oil and formation water was 1.0%. The IFT measurement indicates that the performance of SLS with the value of 1.67 mN/m was also better than SpTS surfactant with the value of 3.59 mN/m. Meanwhile, SDBS surfactant shows the best performance with the IFT value of 0.47 mN/m.

Positronics of subnanometer atomistic imperfections in solids as a high-informative structure characterization tool.

PubMed

Shpotyuk, Oleh; Filipecki, Jacek; Ingram, Adam; Golovchak, Roman; Vakiv, Mykola; Klym, Halyna; Balitska, Valentyna; Shpotyuk, Mykhaylo; Kozdras, Andrzej

2015-01-01

Methodological possibilities of positron annihilation lifetime (PAL) spectroscopy applied to characterize different types of nanomaterials treated within three-term fitting procedure are critically reconsidered. In contrast to conventional three-term analysis based on admixed positron- and positronium-trapping modes, the process of nanostructurization is considered as substitutional positron-positronium trapping within the same host matrix. Developed formalism allows estimate interfacial void volumes responsible for positron trapping and characteristic bulk positron lifetimes in nanoparticle-affected inhomogeneous media. This algorithm was well justified at the example of thermally induced nanostructurization occurring in 80GeSe2-20Ga2Se3 glass.

Positronics of subnanometer atomistic imperfections in solids as a high-informative structure characterization tool

NASA Astrophysics Data System (ADS)

Shpotyuk, Oleh; Filipecki, Jacek; Ingram, Adam; Golovchak, Roman; Vakiv, Mykola; Klym, Halyna; Balitska, Valentyna; Shpotyuk, Mykhaylo; Kozdras, Andrzej

2015-02-01

Methodological possibilities of positron annihilation lifetime (PAL) spectroscopy applied to characterize different types of nanomaterials treated within three-term fitting procedure are critically reconsidered. In contrast to conventional three-term analysis based on admixed positron- and positronium-trapping modes, the process of nanostructurization is considered as substitutional positron-positronium trapping within the same host matrix. Developed formalism allows estimate interfacial void volumes responsible for positron trapping and characteristic bulk positron lifetimes in nanoparticle-affected inhomogeneous media. This algorithm was well justified at the example of thermally induced nanostructurization occurring in 80GeSe2-20Ga2Se3 glass.

Modeling Interfacial Thermal Boundary Conductance of Engineered Interfaces

DTIC Science & Technology

2014-08-31

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

Void Growth and Coalescence in Dynamic Fracture of FCC and BCC Metals - Molecular Dynamics Study

NASA Astrophysics Data System (ADS)

Seppälä, Eira

2004-03-01

In dynamic fracture of ductile metals, the state of tension causes the nucleation of voids, typically from inclusions or grain boundary junctions, which grow and ultimately coalesce to form the fracture surface. Significant plastic deformation occurs in the process, including dislocations emitted to accommodate the growing voids. We have studied at the atomistic scale growth and coalescence processes of voids with concomitant dislocation formation. Classical molecular dynamics (MD) simulations of one and two pre-existing spherical voids initially a few nanometers in radius have been performed in single-crystal face-centered-cubic (FCC) and body-centered-cubic (BCC) lattices under dilational strain with high strain-rates. Million atom simulations of single void growth have been done to study the effect of stress triaxiality,^1 along with strain rate and lattice-structure dependence. An interesting prolate-to-oblate transition in the void shape in uniaxial expansion has been observed and quantitatively analyzed. The simulations also confirm that the plastic strain results directly from the void growth. Interaction and coalescence between two voids have been studied utilizing a parallel MD code in a seven million atom system. In particular, the movement of centers of the voids, linking of the voids, and the shape changes in vicinity of the other void are studied. Also the critical intervoid ligament distance after which the voids can be treated independently has been searched. ^1 E. T. Seppälä, J. Belak, and R. E. Rudd, cond-mat/0310541, submitted to Phys. Rev. B. Acknowledgment: This work was done in collaboration with Dr. James Belak and Dr. Robert E. Rudd, LLNL. It was performed under the auspices of the US Dept. of Energy at the Univ. of Cal./Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48.

General theories and features of interfacial thermal transport

NASA Astrophysics Data System (ADS)

Zhou, Hangbo; Zhang, Gang

2018-03-01

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

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

PubMed Central

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

2014-01-01

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

Simulation of Initiation in Hexanitrostilbene

NASA Astrophysics Data System (ADS)

Thompson, Aidan; Shan, Tzu-Ray; Yarrington, Cole; Wixom, Ryan

We report on the effect of isolated voids and pairs of nearby voids on hot spot formation, growth and chemical reaction initiation in hexanitrostilbene (HNS) crystals subjected to shock loading. Large-scale, reactive molecular dynamics simulations are performed using the reactive force field (ReaxFF) as implemented in the LAMMPS software. The ReaxFF force field description for HNS has been validated previously by comparing the isothermal equation of state to available diamond anvil cell (DAC) measurements and density function theory (DFT) calculations. Micron-scale molecular dynamics simulations of a supported shockwave propagating in HNS crystal along the [010] orientation are performed (up = 1.25 km/s, Us =4.0 km/s, P = 11GPa.) We compare the effect on hot spot formation and growth rate of isolated cylindrical voids up to 0.1 µm in size with that of two 50nm voids set 100nm apart. Results from the micron-scale atomistic simulations are compared with hydrodynamics simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lock- heed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Molecular origin of high free energy barriers for alkali metal ion transfer through ionic liquid-graphene electrode interfaces.

PubMed

Ivaništšev, Vladislav; Méndez-Morales, Trinidad; Lynden-Bell, Ruth M; Cabeza, Oscar; Gallego, Luis J; Varela, Luis M; Fedorov, Maxim V

2016-01-14

In this work we study mechanisms of solvent-mediated ion interactions with charged surfaces in ionic liquids by molecular dynamics simulations, in an attempt to reveal the main trends that determine ion-electrode interactions in ionic liquids. We compare the interfacial behaviour of Li(+) and K(+) at a charged graphene sheet in a room temperature ionic liquid, 1-butyl-3-methylimidazolium tetrafluoroborate, and its mixtures with lithium and potassium tetrafluoroborate salts. Our results show that there are dense interfacial solvation structures in these electrolytes that lead to the formation of high free energy barriers for these alkali metal cations between the bulk and direct contact with the negatively charged surface. We show that the stronger solvation of Li(+) in the ionic liquid leads to the formation of significantly higher interfacial free energy barriers for Li(+) than for K(+). The high free energy barriers observed in our simulations can explain the generally high interfacial resistance in electrochemical storage devices that use ionic liquid-based electrolytes. Overcoming these barriers is the rate-limiting step in the interfacial transport of alkali metal ions and, hence, appears to be a major drawback for a generalised application of ionic liquids in electrochemistry. Some plausible strategies for future theoretical and experimental work for tuning them are suggested.

Effect of rotary cutting instruments on the resin-tooth interfacial ultra structure: An in vivo study.

PubMed

Sherawat, Sudhir; Tewari, Sanjay; Duhan, Jigyasa; Gupta, Alpa; Singla, Rakesh

2014-12-01

To evaluate the effect of cutting teeth with different types of burs at various speeds on surface topography of tooth surface and interfacial gap formation at resin-tooth interface. The human molars were divided into seven groups: Diamond bur in airrotor (DA) & micromotor (DM), crosscut carbide bur in airrotor (CCA) & micromotor (CCM), plain carbide bur in airrotor (CA) & micromotor (CM) and #600-grit silicon carbide paper (SiC). In five samples from each group Class II box-only cavities were restored. The occlusal surface of four teeth per group was flattened. Two out of four teeth were acid etched. Teeth were subjected for scanning electron microscopy (SEM). Interfacial gap was observed in all groups with no significant difference. SEM observations revealed CA, CCA & DA were coarser than CM, CCM, DM and SiC. SEM of etched tooth surfaces revealed complete removal of amorphous smear layer in CA & CM, partial removal in CCA, CCM, DA & DM and no removal in SiC. Selecting an appropriate bur and its speed may not play an important role in bonding in terms of interfacial gap formation. Variable changes were observed in surface topography with different burs before and after acid etching. Key words:Surface topography, resin-tooth interface, interfacial gap, bonding.

Effect of rotary cutting instruments on the resin-tooth interfacial ultra structure: An in vivo study

PubMed Central

Sherawat, Sudhir; Tewari, Sanjay; Duhan, Jigyasa; Singla, Rakesh

2014-01-01

Objectives: To evaluate the effect of cutting teeth with different types of burs at various speeds on surface topography of tooth surface and interfacial gap formation at resin-tooth interface. Material and Methods: The human molars were divided into seven groups: Diamond bur in airrotor (DA) & micromotor (DM), crosscut carbide bur in airrotor (CCA) & micromotor (CCM), plain carbide bur in airrotor (CA) & micromotor (CM) and #600-grit silicon carbide paper (SiC). In five samples from each group Class II box-only cavities were restored. The occlusal surface of four teeth per group was flattened. Two out of four teeth were acid etched. Teeth were subjected for scanning electron microscopy (SEM). Results: Interfacial gap was observed in all groups with no significant difference. SEM observations revealed CA, CCA & DA were coarser than CM, CCM, DM and SiC. SEM of etched tooth surfaces revealed complete removal of amorphous smear layer in CA & CM, partial removal in CCA, CCM, DA & DM and no removal in SiC. Conclusions: Selecting an appropriate bur and its speed may not play an important role in bonding in terms of interfacial gap formation. Variable changes were observed in surface topography with different burs before and after acid etching. Key words:Surface topography, resin-tooth interface, interfacial gap, bonding. PMID:25674310

Galaxy and Mass Assembly (GAMA): halo formation times and halo assembly bias on the cosmic web

NASA Astrophysics Data System (ADS)

Tojeiro, Rita; Eardley, Elizabeth; Peacock, John A.; Norberg, Peder; Alpaslan, Mehmet; Driver, Simon P.; Henriques, Bruno; Hopkins, Andrew M.; Kafle, Prajwal R.; Robotham, Aaron S. G.; Thomas, Peter; Tonini, Chiara; Wild, Vivienne

2017-09-01

We present evidence for halo assembly bias as a function of geometric environment (GE). By classifying Galaxy and Mass Assembly (GAMA) galaxy groups as residing in voids, sheets, filaments or knots using a tidal tensor method, we find that low-mass haloes that reside in knots are older than haloes of the same mass that reside in voids. This result provides direct support to theories that link strong halo tidal interactions with halo assembly times. The trend with GE is reversed at large halo mass, with haloes in knots being younger than haloes of the same mass in voids. We find a clear signal of halo downsizing - more massive haloes host galaxies that assembled their stars earlier. This overall trend holds independently of GE. We support our analysis with an in-depth exploration of the L-Galaxies semi-analytic model, used here to correlate several galaxy properties with three different definitions of halo formation time. We find a complex relationship between halo formation time and galaxy properties, with significant scatter. We confirm that stellar mass to halo mass ratio, specific star formation rate (SFR) and mass-weighed age are reasonable proxies of halo formation time, especially at low halo masses. Instantaneous SFR is a poor indicator at all halo masses. Using the same semi-analytic model, we create mock spectral observations using complex star formation and chemical enrichment histories, which approximately mimic GAMA's typical signal-to-noise ratio and wavelength range. We use these mocks to assert how well potential proxies of halo formation time may be recovered from GAMA-like spectroscopic data.

Reduced graphene oxide aerogel networks with soft interfacial template for applications in bone tissue regeneration

NASA Astrophysics Data System (ADS)

Asha, S.; Ananth, A. Nimrodh; Jose, Sujin P.; Rajan, M. A. Jothi

2018-05-01

Reduced Graphene Oxide aerogels (A-RGO), functionalized with chitosan, were found to induce and/or accelerate the mineralization of hydroxyapatite. The functionalized chitosan acts as a soft interfacial template on the surface of A-RGO assisting the growth of hydroxyapatite particles. The mineralization on these soft aerogel networks was performed by soaking the aerogels in simulated body fluid, relative to time. Polymer-induced mineralization exhibited an ordered arrangement of hydroxyapatite particles on reduced graphene oxide aerogel networks with a higher crystalline index (IC) of 1.7, which mimics the natural bone formation indicating the importance of the polymeric interfacial template. These mineralized aerogels which mimic the structure and composition of natural bone exhibit relatively higher rate of cell proliferation, osteogenic differentiation and osteoid matrix formation proving it to be a potential scaffold for bone tissue regeneration.

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

PubMed Central

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

2017-01-01

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

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

NASA Astrophysics Data System (ADS)

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

2017-01-01

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

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

PubMed

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

2017-01-09

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

Interfacial dilatational deformation accelerates particle formation in monoclonal antibody solutions.

PubMed

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

2016-04-14

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

Via fill properties of organic BARCs in dual-damascene application

NASA Astrophysics Data System (ADS)

Huang, Runhui

2004-05-01

With the introduction of copper as the interconnect metal, the Dual Damascene (DD) process has been integrated into integrated circuit (IC) device fabrication. The DD process utilizes organic bottom anti-reflective coatings (BARCs) not only to eliminate the thin film interference effects but also to act as via fill materials. However, three serious processing problems are encountered with organic BARCs. One is the formation of voids, which are trapped gas bubbles (evaporating solvent, byproduct of the curing reaction and air) inside the vias. Another problem is non-uniform BARC layer thickness in different via pitch areas. The third problem is the formation of fences during plasma etch. Fences are formed from materials that are removed by plasma and subsequently deposited on the sidewall surrounding the via openings during the etching process. Voids can cause variations in BARC top thickness, optical properties, via fill percentage, and plasma etch rate. This study focuses on the factors that influence the formation of voids and addresses the ways to eliminate them by optimizing the compositions of formulations and the processing conditions. Effects of molecular weight of the polymer, nature of the crosslinker, additives, and bake temperature were examined. The molecular weight of the polymer is one of the important factors that needs to be controlled carefully. Polymers with high molecular weights tend to trap voids inside the vias. Low molecular weight polymers have low Tg and low viscosity, which enables good thermal flow so that the BARC can fill vias easily without voids. Several kinds of crosslinkers were investigated in this study. When used with the same polymer system, formulations with different crosslinkers show varying results that affect planar fill, sidewall coverage, and, in some cases, voids. Additives also can change via fill behavior dramatically, and choosing the right additive will improve the via fill property. Processing conditions such as bake temperature also greatly affect via fill. Depending on the polymer thermal property and crosslinking reaction, varying the bake temperature can change the via fill behavior of the BARC. By understanding the nature of the polymer, the crosslinking reaction, and the processing conditions, we are able to design BARCs with better flow property to provide planar topography without voids inside the vias.

Interfacial nanodroplets guided construction of hierarchical Au, Au-Pt, and Au-Pd particles as excellent catalysts

NASA Astrophysics Data System (ADS)

Ma, Aijing; Xu, Jie; Zhang, Xuehua; Zhang, Bin; Wang, Dayang; Xu, Haolan

2014-05-01

Interfacial nanodroplets were grafted to the surfaces of self-sacrificed template particles in a galvanic reaction system to assist the construction of 3D Au porous structures. The interfacial nanodroplets were formed via direct adsorption of surfactant-free emulsions onto the particle surfaces. The interfacial nanodroplets discretely distributed at the template particle surfaces and served as soft templates to guide the formation of porous Au structures. The self-variation of footprint sizes of interfacial nanodroplets during Au growth gave rise to a hierarchical pore size distribution of the obtained Au porous particles. This strategy could be easily extended to synthesize bimetal porous particles such as Au-Pt and Au-Pd. The obtained porous Au, Au-Pt, and Au-Pd particles showed excellent catalytic activity in catalytic reduction of 4-nitrophenol.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, A.; Sabirianov, R. F.; Mei, W. N.; Namavar, F.; Khoynezhad, A.

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Effect of the ordered interfacial water layer in protein complex formation: A nonlocal electrostatic approach.

PubMed

Rubinstein, A; Sabirianov, R F; Mei, W N; Namavar, F; Khoynezhad, A

2010-08-01

Using a nonlocal electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an ordered interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Effect of demulsifiers on interfacial properties governing crude oil demulsification

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

Mukherjee, S.; Kushnick, A.P.

1987-01-01

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

Intergalactic Hydrogen Clouds at Low Redshift: Connections to Voids and Dwarf Galaxies

NASA Technical Reports Server (NTRS)

Shull, J. Michael; Stocke, John T.; Penton, Steve

1996-01-01

We provide new post-COSTAR data on one sightline (Mrk 421) and updated data from another (I Zw 1) from our Hubble Space Telescope (HST) survey of intergalactic Ly(alpha) clouds located along sightlines to four bright quasars passing through well-mapped galaxy voids (16000 km/s pathlength) and superclusters (18000 km/s). We report two more definite detections of low-redshift Ly(alpha) clouds in voids: one at 3047 km/s (heliocentric) toward Mrk 421 and a second just beyond the Local Supercluster at 2861 km/s toward I Zw 1, confirming our earlier discovery of Ly(alpha) absorption clouds in voids (Stocke et al., ApJ, 451, 24). We have now identified ten definite and one probable low-redshift neutral hydrogen absorption clouds toward four targets, a frequency of approximately one absorber every 3400 km/s above 10(exp 12.7/sq cm column density. Of these ten absorption systems, three lie within voids; the probable absorber also lies in a void. Thus, the tendency of Ly(alpha) absorbers to 'avoid the voids' is not as clear as we found previously. If the Ly(alpha) clouds are approximated as homogeneous spheres of 100 kpc radius, their masses are approximately 10(exp 9)solar mass (about 0.01 times that of bright L* galaxies) and they are 40 times more numerous, comparable to the density of dwarf galaxies and of low-mass halos in numerical CDM simulations. The Ly(alpha) clouds contribute a fraction Omega(sub cl)approximately equals 0.003/h(sub 75) to the closure density of the universe, comparable to that of luminous matter. These clouds probably require a substantial amount of nonbaryonic dark matter for gravitational binding. They may represent extended haloes of low-mass protogalaxies which have not experienced significant star formation or low-mass dwarf galaxies whose star formation ceased long ago, but blew out significant gaseous material.

Three-dimensional gas exchange pathways in pome fruit characterized by synchrotron x-ray computed tomography.

PubMed

Verboven, Pieter; Kerckhofs, Greet; Mebatsion, Hibru Kelemu; Ho, Quang Tri; Temst, Kristiaan; Wevers, Martine; Cloetens, Peter; Nicolaï, Bart M

2008-06-01

Our understanding of the gas exchange mechanisms in plant organs critically depends on insights in the three-dimensional (3-D) structural arrangement of cells and voids. Using synchrotron radiation x-ray tomography, we obtained for the first time high-contrast 3-D absorption images of in vivo fruit tissues of high moisture content at 1.4-microm resolution and 3-D phase contrast images of cell assemblies at a resolution as low as 0.7 microm, enabling visualization of individual cell morphology, cell walls, and entire void networks that were previously unknown. Intercellular spaces were always clear of water. The apple (Malus domestica) cortex contains considerably larger parenchyma cells and voids than pear (Pyrus communis) parenchyma. Voids in apple often are larger than the surrounding cells and some cells are not connected to void spaces. The main voids in apple stretch hundreds of micrometers but are disconnected. Voids in pear cortex tissue are always smaller than parenchyma cells, but each cell is surrounded by a tight and continuous network of voids, except near brachyssclereid groups. Vascular and dermal tissues were also measured. The visualized network architecture was consistent over different picking dates and shelf life. The differences in void fraction (5.1% for pear cortex and 23.0% for apple cortex) and in gas network architecture helps explain the ability of tissues to facilitate or impede gas exchange. Structural changes and anisotropy of tissues may eventually lead to physiological disorders. A combined tomography and internal gas analysis during growth are needed to make progress on the understanding of void formation in fruit.

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

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

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

2014-12-08

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

Diffusional creep and creep degradation in the dispersion-strengthened alloy TD-NiCr

NASA Technical Reports Server (NTRS)

Whittenberger, J. D.

1972-01-01

Dispersoid-free regions were observed in TD-NiCr (Ni-20Cr-2ThO2) after slow strain rate testing in air from 1145 to 1590 K. Formation of the dispersoid-free regions appears to be the result of diffusional creep. The net effect of this creep is the degradation of TD-NiCr to a duplex microstructure. Degradation is further enhanced by the formation of voids and integranular oxidation in the thoria-free regions. These regions apparently provided sites for void formation and oxide growth since the strength and oxidation resistance of Ni-20Cr is much less than Ni-20Cr-2ThO2. This localized oxidation does not appear to reduce the static load bearing capacity of TD-NiCr since long stress rupture lives were observed even with heavily oxidized microstructures. But this oxidation does significantly reduce the ductility and impact resistance of the material. Dispersoid-free bands and voids were also observed for two other dispersion strengthened alloys, TD-NiCrAl and IN-853. Thus, it appears that diffusional creep is charactertistic of dispersion-strengthened alloys and can play a major role in the creep degradation of these materials.

Snapshot Survey of the Globular Cluster Populations of Isolated Early Type Galaxies

NASA Astrophysics Data System (ADS)

Gregg, Michael

2017-08-01

We propose WFC3/UVIS snapshot observations of a sample of 75 isolated early type galaxiesresiding in cosmic voids or extremely low density regions. The primary aim is to usetheir globular cluster populations to reconstruct their evolutionary history, revealingif, how, and why void ellipticals differ from cluster ellipticals. The galaxies span arange of luminosities, providing a varied sample for comparison with the well-documentedglobular cluster populations in denser environments. This proposed WFC3 study of isolatedearly type galaxies breaks new ground by targeting a sample which has thus far receivedlittle attention, and, significantly, this will be the first such study with HST.Characterizing early type galaxies in voids and their GC systems promises to increase ourunderstanding of galaxy formation and evolution of galaxies in general because isolatedobjects are the best approximation to a control sample that we have for understanding theinfluence of environment on formation and evolution. Whether these isolated objects turnout to be identical to or distinct from counterparts in other regions of the Universe,they will supply insight into the formation and evolution of all galaxies. Parallel ACSimaging will help to characterize the near field environments of the sample.

Ultrastructural characterization of tooth-biomaterial interfaces prepared with broad and focused ion beams.

PubMed

Coutinho, E; Jarmar, T; Svahn, F; Neves, A A; Verlinden, B; Van Meerbeek, B; Engqvist, H

2009-11-01

Current available techniques for transmission electron microscopy (TEM) of tooth-biomaterial interfaces are mostly ineffective for brittle phases and impair integrated chemical and morphological characterization. The aims of this study were (1) to determine the applicability of new focused ion beam (FIB) and broad ion beam (BIB) techniques for TEM preparation of tooth-biomaterial interfaces; (2) to characterize the interfacial interaction with enamel and dentin of a conventional glass-ionomer (Chemfil Superior, DeTrey Dentsply, Germany), a 2-step self-etch (Clearfil SE, Kuraray, Japan) and a 3-step etch-and-rinse (OptiBond FL, Kerr, USA) adhesives; and (3) to characterize clinically relevant interfaces obtained from actual Class-I cavities. After bonding to freshly extracted human third molars, non-demineralized and non-stained sections were obtained using the FIB/BIB techniques and examined under TEM. The main structures generally disclosed in conventional ultramicrotomy samples were recognized in FIB/BIB-based ones. There were not any major differences between FIB and BIB concerning the resulting ultrastructural morphology. FIB/BIB-sections enabled to clearly resolve sub-micron hydroxyapatite crystals on top of hard tissues and the interface between matrix and filler in all materials, even at nano-scale. Some investigated interfaces disclosed areas with a distinct "fog" or "melted look", which is probably an artifact due to surface damage caused by the high-energy beam. Interfaces with enamel clearly disclosed the distinct "keyhole" shape of enamel rods sectioned at 90 degrees , delimited by a thin electron-lucent layer of inter-rod enamel. At regions where enamel crystals ran parallel with the interface, we observed a lack of interaction and some de-bonding along with interfacial void formation. The FIB/BIB methods are viable and reliable alternatives to conventional ultramicrotomy for preparation of thin sections of brittle and thus difficult to cut biomaterial-hard tissue interfaces. They disclose additional ultrastructural information about both substrates and are more suitable for advanced analytic procedures.

Solder/Substrate Interfacial Reactions in the Sn-Cu-Ni Interconnection System

NASA Astrophysics Data System (ADS)

Yu, H.; Vuorinen, V.; Kivilahti, J. K.

2007-02-01

In order to obtain a better understanding of the effects of interconnection microstructures on the reliability of soldered assemblies, one of the most important ternary systems used in electronics, the Sn-Cu-Ni system, has been assessed thermodynamically. Based on the data obtained, some recent experimental observations related to the formation of interfacial intermetallic compounds in solder interconnections have been studied analytically. First, the effect of Cu content on the formation of the interfacial intermetallic compounds between the SnAgCu solder alloys and Ni substrate was investigated. The critical Cu content for (Cu,Ni)6Sn5 formation was evaluated as a function of temperature. Second, we analyzed how the Ni dissolved in the Cu6Sn5 compound affects the driving forces for the diffusion of components and hence the growth kinetics of (Cu,Ni)6Sn5 and (Cu,Ni)3Sn reaction layers. With the thermodynamic description, other experimental observations related to the Sn-Cu-Ni system can be rationalized as well. The system can be used also as a subsystem for industrially important higher order solder systems.

Topology-generating interfacial pattern formation during liquid metal dealloying

DOE PAGES

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

2015-11-19

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

Topology-generating interfacial pattern formation during liquid metal dealloying.

PubMed

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

2015-11-19

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

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

PubMed

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

2017-05-17

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

A surface physicochemical rationale for calculus formation in the oral cavity

NASA Astrophysics Data System (ADS)

Busscher, Henk J.; White, Don J.; Kamminga-Rasker, Hannetta J.; van der Mei, Henny C.

2004-01-01

Surface free energies of dental hard tissues, including salivary conditioning films on enamel, play a crucial role in mineralization, dissolution and adhesion processes at the tooth surface. These mineralization reactions at oral surfaces control the development and progression of various diseases. In this paper, we compare the surface free energies, as derived from measured contact angles with liquids, of salivary conditioning films on enamel after exposure to dentifrices with and without anti-calculus additives, such as hexametaphosphate, pyrophosphate or zinc citrate trihydrate. Measured contact angles were converted to surface free energies using the concept of Lifshitz-Van der Waals and Lewis acid-base components. Nearly all dentifrices yield film properties with a negative interfacial tension against an aqueous phase, which thermodynamically opposes mineralization. Concurrent with negative interfacial tensions, are positive values of the interfacial free energy of adhesion for octacalcium-phosphate (OCP) to the film surfaces, indicating that adhesion of newly mineralized, calcium-phosphate rich phases is thermodynamically unfavorable. Interestingly, two out of the three dentifrices with anti-calculus additives containing hexametaphosphate and pyrophosphate cause most positive interfacial free energies for OCP adhesion of 5.8 and 2.6 mJ/m 2, respectively. In summary, surface thermodynamical analyses indicate that anti-calculus effects of commercial dentifrice formulations are consistent with more negative interfacial tensions of salivary conditioning films on enamel surfaces and thus with more positive values for the interfacial free energy of adhesion toward newly formed mineral phases. A dentifrice containing hexametaphosphate yielded thermodynamic properties of salivary conditioning films most unfavorable for calculus formation.

Liquid interfacial water and brines in the upper surface of Mars

NASA Astrophysics Data System (ADS)

Moehlmann, Diedrich

2013-04-01

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

The formation of microvoids in MgO by helium ion implantation and thermal annealing

NASA Astrophysics Data System (ADS)

van Veen, A.; Schut, H.; Fedorov, A. V.; Labohm, F.; Neeft, E. A. C.; Konings, R. J. M.

1999-01-01

The formation of microvoids in metal oxides by helium implantation and thermal annealing is observed under similar conditions as has been shown earlier for silicon. Cleaved MgO (1 0 0) single crystals were implanted with 30 keV 3He ions with doses varying from 10 15 to 10 16 cm -2 and subsequently thermally annealed from RT to 1500 K. Monitoring of the defect depth profile and the retained amount of helium was performed by positron beam analysis and neutron depth profiling, respectively. For a dose larger than 2 × 10 15 cm -2 annealing of the defects was observed in two stages: at 1000 K helium filled monovacancies dissociated, and other defects still retaining the helium were formed, and at 1300 K all helium left the sample while an increase of positron-valence-electron annihilations was observed, indicating an increase of the volume available in the defects. The voids of nm size were located at shallower depth than the implanted helium. At lower dose no voids were left after high temperature annealing. Voids can also be created, and even more effectively, by hydrogen or deuterium implantation. The voids are stable to temperatures of 1500 K. The use of the nanovoids as a precursor state for nanoprecipitates of metals or other species is discussed.

Protein Adsorption and Layer Formation at the Stainless Steel-Solution Interface Mediates Shear-Induced Particle Formation for an IgG1 Monoclonal Antibody.

PubMed

Kalonia, Cavan K; Heinrich, Frank; Curtis, Joseph E; Raman, Sid; Miller, Maria A; Hudson, Steven D

2018-03-05

Passage of specific protein solutions through certain pumps, tubing, and/or filling nozzles can result in the production of unwanted subvisible protein particles (SVPs). In this work, surface-mediated SVP formation was investigated. Specifically, the effects of different solid interface materials, interfacial shear rates, and protein concentrations on SVP formation were measured for the National Institute of Standards and Technology monoclonal antibody (NISTmAb), a reference IgG1 monoclonal antibody (mAb). A stainless steel rotary piston pump was used to identify formulation and process parameters that affect aggregation, and a flow cell (alumina or stainless steel interface) was used to further investigate the effect of different interface materials and/or interfacial shear rates. SVP particles produced were monitored using flow microscopy or flow cytometry. Neutron reflectometry and a quartz crystal microbalance with dissipation monitoring were used to characterize adsorption and properties of NISTmAb at the stainless steel interface. Pump/shear cell experiments showed that the NISTmAb concentration and interface material had a significant effect on SVP formation, while the effects of interfacial shear rate and passage number were less important. At the higher NISTmAb concentrations, the adsorbed protein became structurally altered at the stainless steel interface. The primary adsorbed layer remained largely undisturbed during flow, suggesting that SVP formation at high NISTmAb concentration was caused by the disruption of patches and/or secondary interactions.

Effect of the ordered interfacial water layer in protein complex formation: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander; Sabirianov, Renat

2011-03-01

Using a non-local electrostatic approach that incorporates the short-range structure of the contacting media, we evaluated the electrostatic contribution to the energy of the complex formation of two model proteins. In this study, we have demonstrated that the existence of an low-dielectric interfacial water layer at the protein-solvent interface reduces the charging energy of the proteins in the aqueous solvent, and consequently increases the electrostatic contribution to the protein binding (change in free energy upon the complex formation of two proteins). This is in contrast with the finding of the continuum electrostatic model, which suggests that electrostatic interactions are not strong enough to compensate for the unfavorable desolvation effects.

Effect of Moisture Exchange on Interface Formation in the Repair System Studied by X-ray Absorption

PubMed Central

Lukovic, Mladena; Ye, Guang

2015-01-01

In concrete repair systems, material properties of the repair material and the interface are greatly influenced by the moisture exchange between the repair material and the substrate. If the substrate is dry, it can absorb water from the repair material and reduce its effective water-to-cement ratio (w/c). This further affects the hydration rate of cement based material. In addition to the change in hydration rate, void content at the interface between the two materials is also affected. In this research, the influence of moisture exchange on the void content in the repair system as a function of initial saturation level of the substrate is investigated. Repair systems with varying level of substrate saturation are made. Moisture exchange in these repair systems as a function of time is monitored by the X-ray absorption technique. After a specified curing age (3 d), the internal microstructure of the repair systems was captured by micro-computed X-ray tomography (CT-scanning). From reconstructed images, different phases in the repair system (repair material, substrate, voids) can be distinguished. In order to quantify the void content, voids were thresholded and their percentage was calculated. It was found that significantly more voids form when the substrate is dry prior to application of the repair material. Air, initially filling voids and pores of the dry substrate, is being released due to the moisture exchange. As a result, air voids remain entrapped in the repair material close to the interface. These voids are found to form as a continuation of pre-existing surface voids in the substrate. Knowledge about moisture exchange and its effects provides engineers with the basis for recommendations about substrate preconditioning in practice. PMID:28787801

Three-Dimensional Gas Exchange Pathways in Pome Fruit Characterized by Synchrotron X-Ray Computed Tomography1[C][W][OA

PubMed Central

Verboven, Pieter; Kerckhofs, Greet; Mebatsion, Hibru Kelemu; Ho, Quang Tri; Temst, Kristiaan; Wevers, Martine; Cloetens, Peter; Nicolaï, Bart M.

2008-01-01

Our understanding of the gas exchange mechanisms in plant organs critically depends on insights in the three-dimensional (3-D) structural arrangement of cells and voids. Using synchrotron radiation x-ray tomography, we obtained for the first time high-contrast 3-D absorption images of in vivo fruit tissues of high moisture content at 1.4-μm resolution and 3-D phase contrast images of cell assemblies at a resolution as low as 0.7 μm, enabling visualization of individual cell morphology, cell walls, and entire void networks that were previously unknown. Intercellular spaces were always clear of water. The apple (Malus domestica) cortex contains considerably larger parenchyma cells and voids than pear (Pyrus communis) parenchyma. Voids in apple often are larger than the surrounding cells and some cells are not connected to void spaces. The main voids in apple stretch hundreds of micrometers but are disconnected. Voids in pear cortex tissue are always smaller than parenchyma cells, but each cell is surrounded by a tight and continuous network of voids, except near brachyssclereid groups. Vascular and dermal tissues were also measured. The visualized network architecture was consistent over different picking dates and shelf life. The differences in void fraction (5.1% for pear cortex and 23.0% for apple cortex) and in gas network architecture helps explain the ability of tissues to facilitate or impede gas exchange. Structural changes and anisotropy of tissues may eventually lead to physiological disorders. A combined tomography and internal gas analysis during growth are needed to make progress on the understanding of void formation in fruit. PMID:18417636

Near‐surface void detection using a seismic landstreamer and horizontal velocity and attenuation tomography

USGS Publications Warehouse

Buckley, Sean F.; Lane, John W.

2012-01-01

The detection and characterization of subsurface voids plays an important role in the study of karst formations and clandestine tunnels. Horizontal velocity and attenuation tomography (HVAT) using offset‐fan shooting and a towed seismic land streamer is a simple, rapid, minimally invasive method that shows promise for detecting near‐surface voids and providing information on the orientation of linear voids. HVAT surveys were conducted over a known subsurface steam tunnel on the University of Connecticut Depot Campus, Storrs, Connecticut. First‐arrival travel‐time and amplitude data were used to produce two‐dimensional (2D) horizontal (map view) velocity and attenuation tomograms. In addition, attenuation tomograms were produced based on normalized total trace energy (TTE). Both the velocity and TTE attenuation tomograms depict an anomaly consistent with the location and orientation of the known tunnel; the TTE method, however, requires significantly less processing time, and therefore may provide a path forward to semi‐automated, near real‐time detection of near‐surface voids. Further study is needed to assess the utility of the HVAT method to detect deeper voids and the effects of a more complex geology on HVAT results.

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

PubMed

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

2015-03-11

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

Dynamics of Surfactant Clustering at Interfaces and Its Influence on the Interfacial Tension: Atomistic Simulation of a Sodium Hexadecane-Benzene Sulfonate-Tetradecane-Water System.

PubMed

Paredes, Ricardo; Fariñas-Sánchez, Ana Isabel; Medina-Rodrı Guez, Bryan; Samaniego, Samantha; Aray, Yosslen; Álvarez, Luis Javier

2018-03-06

The process of equilibration of the tetradecane-water interface in the presence of sodium hexadecane-benzene sulfonate is studied using intensive atomistic molecular dynamics simulations. Starting as an initial point with all of the surfactants at the interface, it is obtained that the equilibration time of the interface (several microseconds) is orders of magnitude higher than previously reported simulated times. There is strong evidence that this slow equilibration process is due to the aggregation of surfactants molecules on the interface. To determine this fact, temporal evolution of interfacial tension and interfacial formation energy are studied and their temporal variations are correlated with cluster formation. To study cluster evolution, the mean cluster size and the probability that a molecule of surfactant chosen at random is free are obtained as a function of time. Cluster size distribution is estimated, and it is observed that some of the molecules remain free, whereas the rest agglomerate. Additionally, the temporal evolution of the interfacial thickness and the structure of the surfactant molecules on the interface are studied. It is observed how this structure depends on whether the molecules agglomerate or not.

Synergistic performance of lecithin and glycerol monostearate in oil/water emulsions.

PubMed

Moran-Valero, María I; Ruiz-Henestrosa, Víctor M Pizones; Pilosof, Ana M R

2017-03-01

The effects of the combination of two low-molecular weight emulsifiers (lecithin and glycerol-monostearate (GMS)) on the stability, the dynamic interfacial properties and rheology of emulsions have been studied. Different lecithin/GMS ratios were tested in order to assess their impact in the formation and stabilization of oil in water emulsions. The combination of the two surfactants showed a synergistic behaviour, mainly when combined at the same ratio. The dynamic film properties and ζ-potential showed that lecithin dominated the surface of oil droplets, providing stability to the emulsions against flocculation and coalescence, while allowing the formation of small oil droplets. At long times of adsorption, all of the mixtures showed similar interfacial activity. However, higher values of interfacial pressure at the initial times were reached when lecithin and GMS were at the same ratio. Interfacial viscoelasticity and viscosity of mixed films were also similar to that of lecithin alone. On the other hand, emulsions viscosity was dominated by GMS. The synergistic performance of lecithin-GMS blends as stabilizers of oil/water emulsions is attributed to their interaction both in the bulk and at the interface. Copyright © 2016 Elsevier B.V. All rights reserved.

Interfacial and thermal energy driven growth and evolution of Langmuir-Schaefer monolayers of Au-nanoparticles.

PubMed

Mukhopadhyay, Mala; Hazra, S

2018-01-03

Structures of Langmuir-Schaefer (LS) monolayers of thiol-coated Au-nanoparticles (DT-AuNPs) deposited on H-terminated and OTS self-assembled Si substrates (of different hydrophobic strength and stability) and their evolution with time under ambient conditions, which plays an important role for their practical use as 2D-nanostructures over large areas, were investigated using the X-ray reflectivity technique. The strong effect of substrate surface energy (γ) on the initial structures and the competitive role of room temperature thermal energy (kT) and the change in interfacial energy (Δγ) at ambient conditions on the evolution and final structures of the DT-AuNP LS monolayers are evident. The strong-hydrophobic OTS-Si substrate, during transfer, seems to induce strong attraction towards hydrophobic DT-AuNPs on hydrophilic (repulsive) water to form vertically compact partially covered (with voids) monolayer structures (of perfect monolayer thickness) at low pressure and nearly covered buckled monolayer structures (of enhanced monolayer thickness) at high pressure. After transfer, the small kT-energy (in absence of repulsive water) probably fluctuates the DT-AuNPs to form vertically expanded monolayer structures, through systematic exponential growth with time. The effect is prominent for the film deposited at low pressure, where the initial film-coverage and film-thickness are low. On the other hand, the weak-hydrophobic H-Si substrate, during transfer, appears to induce optimum attraction towards DT-AuNPs to better mimic the Langmuir monolayer structures on it. After transfer, the change in the substrate surface nature, from weak-hydrophobic to weak-hydrophilic with time (i.e. Δγ-energy, apart from the kT-energy), enhances the size of the voids and weakens the monolayer/bilayer structure to form a similar expanded monolayer structure, the thickness of which is probably optimized by the available thermal energy.

Crazing of nanocomposites with polymer-tethered nanoparticles

DOE PAGES

Meng, Dong; Kumar, Sanat K.; Ge, Ting; ...

2016-09-07

The crazing behavior of polymer nanocomposites formed by blending polymer grafted nanoparticles with an entangled polymer melt is studied by molecular dynamics simulations. We focus on the three key differences in the crazing behavior of a composite relative to the pure homopolymer matrix, namely, a lower yield stress, a smaller extension ratio, and a grafted chain length dependent failure stress. The yield behavior is found to be mostly controlled by the local nanoparticle-grafted polymer interfacial energy, with the grafted polymer-polymer matrix interfacial structure being of little to no relevance. Increasing the attraction between nanoparticle core and the grafted polymer inhibitsmore » void nucleation and leads to a higher yield stress. In the craze growth regime, the presence of “grafted chain” sections of ≈100 monomers alters the mechanical response of composite samples, giving rise to smaller extension ratios and higher drawing stresses than for the homopolymer matrix. As a result, the dominant failure mechanism of composite samples depends strongly on the length of the grafted chains, with disentanglement being the dominant mechanism for short chains, while bond breaking is the failure mode for chain lengths >10N e, where N e is the entanglement length.« less

Computing the complex : Dusty plasmas in the presence of magnetic fields and UV radiation

NASA Astrophysics Data System (ADS)

Land, V.

2007-12-01

About 90% of the visible universe is plasma. Interstellar clouds, stellar cores and atmospheres, the Solar wind, the Earth's ionosphere, polar lights, and lightning are all plasma; ionized gases, consisting of electrons, ions, and neutrals. Not only many industries, like the microchip and solar cell industry, but also future fusion power stations, rely heavily on the use of plasma. More and more, home appliances include plasma technologies, like compact fluorescent light sources, and plasma screens. Dust particles, which can disrupt plasma processes, enter these plasmas, through chemical reactions in the plasma, or through interactions between plasma and walls. For instance, during microchip fabrication, dust particles can destroy the tiny, nanometre-sized structures on the surface of these chips. On the other hand, dust particles orbiting Young Stellar Objects coagulate and form the seeds of planets. In order to understand fundamental processes, such as planet formation, or to optimize industrial plasma processes, a thorough description of dusty plasma is necessary. Dust particles immersed in plasma collect ions and electrons from the plasma and charge up electrically. Therefore, the presence of dust changes plasma, while at the same time many forces start acting on the dust. Therefore, the dust and plasma become coupled, making dusty plasma a very complex medium to describe, in which many length and time scales play a role, from the Debye length to the length of the electrodes, and from the inverse plasma frequencies to the dust transport times. Using a self-consistent fluid model, we simulate these multi-scale dusty plasmas in radio frequency discharges under micro-gravity. We show that moderate non-linear scattering of ions by the dust particles is the most important aspect in the calculation of the ion drag force. This force is also responsible for the formation of a dust-free 'void' in dusty plasma under micro-gravity, caused by ions moving from the centre of the void towards the outside of the discharge. The void thus requires electron-impact ionizations inside the void. The electrons gain the energy for these ionizations inside the dust cloud surrounding the void, however. We show that a growing electron temperature gradient is responsible for the transport of electron energy from the surrounding dust cloud into the void. An axial magnetic field in the discharge magnetizes the electrons. This changes the ambipolar flux of ions through the bulk of the discharge. The ion drag force changes, resulting in a differently shaped void and faster void formation. Experiments in a direct current discharge, show a response of both dust and plasma in the E?B direction, when a magnetic field is applied. The dust response consists of two phases: an initial fast phase, and a later, slow phase. Using a Particle-In-Cell plus Monte Carlo model, we show that the dust charge can be reduced by adding a flux of ultraviolet radiation. A source of ultraviolet light can thus serve as a tool to manipulate dusty plasmas, but might also be important for the coagulation of dust particles around young stars and planet formation in general.

Effects of void anisotropy on the ignition and growth rates of energetic materials

NASA Astrophysics Data System (ADS)

Rai, Nirmal Kumar; Sen, Oishik; Udaykumar, H. S.

2017-06-01

Initiation of heterogeneous energetic materials is thought to occur at hot spots; reaction fronts propagate from sites of such hot spots into the surrounding material resulting in complete consumption of the material. Heterogeneous materials, such as plastic bonded explosives (PBXs) and pressed materials contain numerous voids, defects and interfaces at which hot spots can occur. Amongst the various mechanisms of hot spot formation, void collapse is considered to be the predominant one in the high strain rate loading conditions. It is established in the past the shape of the voids has a significant effect on the initiation behavior of energetic materials. In particular, void aspect ratio and orientations play an important role in this regard. This work aims to quantify the effects of void aspect ratio and orientation on the ignition and growth rates of chemical reaction from the hot spot. A wide range of aspect ratio and orientations is considered to establish a correlation between the ignition and growth rates and the void morphology. The ignition and growth rates are obtained from high fidelity reactive meso-scale simulations. The energetic material considered in this work is HMX and Tarver McGuire HMX decomposition model is considered to capture the reaction mechanism of HMX. The meso-scale simulations are performed using a Cartesian grid based Eulerian solver SCIMITAR3D. The void morphology is shown to have a significant effect on the ignition and growth rates of HMX.

Fast growth of n-type 4H-SiC bulk crystal by gas-source method

NASA Astrophysics Data System (ADS)

Hoshino, Norihiro; Kamata, Isaho; Tokuda, Yuichiro; Makino, Emi; Kanda, Takahiro; Sugiyama, Naohiro; Kuno, Hironari; Kojima, Jun; Tsuchida, Hidekazu

2017-11-01

Fast growth of n-type 4H-SiC crystals was attempted using a high-temperature gas-source method. High growth rates exceeding 9 mm/h were archived at a seed temperature of 2550 °C, although the formation of macro-step bunching caused doping fluctuation and voids in the grown crystal. We investigated a trade-off between growth-rate enhancement and macro-step formation and how to improve the trade-off. By controlling the growth conditions, the growth of highly nitrogen-doped 4H-SiC crystals without the doping fluctuation and void formation were accomplished under a high growth rate exceeding 3 mm/h, maintaining the density of threading screw dislocations in the same level with the seed crystal. The influence of growth parameters on nitrogen incorporations into grown crystals was also surveyed.

The Packing of Helical and Zigzag Chains and Distribution of Interstitial Voids in Expanded Liquid Se near the Semiconductor to Metal Transition

NASA Astrophysics Data System (ADS)

Maruyama, Kenji; Hiroi (Sato), Satoshi; Endo, Hirohisa; Hoshino, Hideoki; Odagaki, Takashi; Hensel, Friedrich

2017-08-01

The reverse Monte Carlo (RMC) and Voronoi-Delaunay (VD) void analyses were applied to study the modification of chain geometries near the semiconductor (SC) to metal (M) transition in expanded liquid Se along the isochore of d = 3.4 g/cm3. Fluctuations of dihedral angles with increasing temperature and pressure cause modification of the helical (H) chain to the planar zigzag (Z) chain conformations. The distribution of voids size (rV ) supported by chain segments and distances to the 4th 6th neighbor atoms on the chain segments provide information on the stacking of planar zigzag chains compensated by empty space (L-voids, rV 3.6 Å) which leads to the formation of metallic domains. Near SC-M transition region the number fraction NZ/NH for Z and H chain segments increases.

The effect of injected interstitials on void formation in self-ion irradiated nickel containing concentrated solid solution alloys

DOE PAGES

Yang, Tai-ni; Lu, Chenyang; Jin, Ke; ...

2017-02-21

Pure nickel and three nickel containing single-phase concentrated solid solution alloys (SP-CSAs) have been irradiated using 3 MeV Ni 2+ ions at 500 C to fluences of 1.5 x 10 16 and 5.0 x 10 16 cm 2. We characterized the radiation-induced voids using cross sectional transmission electron microscopy that distributions of voids and dislocation loops were presented as a function of depth. We also observed a various degree of void suppression on the tested samples and a defect clusters migration mechanism was proposed for NiCo. Furthermore, in order to sufficiently understand the defect dynamics in these SP-CSAs, the injectedmore » interstitial effect has been taken into account along with the 1-dimentional (1-D) and 3-dimentional (3-D) interstitial movement mechanisms.« less

Dramatic reduction of void swelling by helium in ion-irradiated high purity α-iron

DOE PAGES

Bhattacharya, Arunodaya; Meslin, Estelle; Henry, Jean; ...

2018-04-11

Effect of helium on void swelling was studied in high-purity α-iron, irradiated using energetic self-ions to 157 displacements per atom (dpa) at 773 K, with and without helium co-implantation up to 17 atomic parts-per-million (appm) He/dpa. Helium is known to enhance cavity formation in metals in irradiation environments, leading to early void swelling onset. In this study, microstructure characterization by transmission electron microscopy revealed compelling evidence of dramatic swelling reduction by helium co-implantation, achieved primarily by cavity size reduction. In conclusion, a comprehensive understanding of helium induced cavity microstructure development is discussed using sink strength ratios of dislocations and cavities.

In-situ TEM observation of nano-void formation in UO2 under irradiation

NASA Astrophysics Data System (ADS)

Sabathier, C.; Martin, G.; Michel, A.; Carlot, G.; Maillard, S.; Bachelet, C.; Fortuna, F.; Kaitasov, O.; Oliviero, E.; Garcia, P.

2014-05-01

Transmission electron microscopy (TEM) observations of UO2 polycrystals irradiated in situ with 4 MeV Au ions were performed at room temperature (RT) to better understand the mechanisms of cavity and ultimately fission products nucleation in UO2. Experiments were carried out at the JANNuS Orsay facility that enables in situ ion irradiations inside the microscope to be carried out. The majority of 4 MeV gold ions were transmitted through the thin foil, and the induced radiation defects were investigated by TEM. Observations showed that nano-void formation occurs at ambient temperature in UO2 thin foils irradiated with energetic heavy ions under an essentially nuclear energy loss regime. The diameter and density of nano-objects were measured as a function of the gold irradiation dose at RT. A previous paper has also revealed a similar nano-object population after a Xe implantation performed at 390 keV at 870 K. The nano-object density was modelled using simple concepts derived from Classical Molecular Dynamics simulations. The results are in good agreement, which suggests a mechanism of heterogeneous nucleation induced by energetic cascade overlaps. This indicates that nano-void formation mechanism is controlled by radiation damage. Such nanovoids are likely to act as sinks for mobile fission products during reactor operation.

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

NASA Astrophysics Data System (ADS)

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

2018-02-01

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

Interfacial reactions between metal and gallium arsenide

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

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

1989-10-01

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

Effect of Marangoni Convection Generated by Voids on Segregation During Low-G and 1-G Solidification

NASA Technical Reports Server (NTRS)

Kassemi, M.; Fripp, A.; Rashidnia, N.; deGroh, H.

2001-01-01

Solidification experiments, especially microgravity solidification experiments, are often compromised by the evolution of unwanted voids or bubbles in the melt. Although these voids and/or bubbles are highly undesirable, there is currently no effective means of preventing their formation or of eliminating their adverse effects, particularly during microgravity experiments. Marangoni convection caused by these voids can drastically change the transport processes in the melt. Recent microgravity experiments by Matthiesen (1) Andrews (2) and Fripp (3) are perfect examples of how voids and bubbles can affect the outcome of costly space experiments and significantly increase the level of difficulty in interpreting their results. Formation of bubbles have caused problems in microgravity experiments for a long time. Even in the early Skylab mission an unexpectedly large number of bubbles were detected in the four materials processing experiments reported by Papazian and Wilcox (4). They demonstrated that while during ground-based tests bubbles were seen to detach from the interface easily and float to the top of the melt, in low-gravity tests no detachment from the interface occurred and large voids were grown in the crystal. More recently, the lead-tin-telluride crystal growth experiment of Fripp et al.(3) flown aboard the USMP-3 mission has provided very interesting results. The purpose of the study was to investigate the effect of natural convection on the solidification process by growing the samples at different orientations with respect to the gravitational field. Large pores and voids were found in the three solid crystal samples processed in space. Post-growth characterization of the compositional profiles of the cells indicated considerable levels of mixing even in the sample grown in the hot-on-top stable configuration. The mixing was attributed to thermocapillary convection caused by the voids and bubbles which evolved during growth. Since the thermocapillary convection is orientation-independent, diffusion-controlled growth was not possible in any of the samples, even the top-heated one. These results are consistent with recent studies of thermocapillary convection generated by a bubble on a heated surface undertaken by Kassemi and Rashidnia (5-7) where it is numerically and experimentally shown that the thermocapillary flow generated by a bubble in a model fluid (silicone oil) can drastically modify the temperature field through vigorous mixing of the fluid around it, especially under microgravity conditions.

Tensile Fracture of Welded Polymer Interfaces: Miscibility, Entanglements, and Crazing

DOE PAGES

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

2014-09-26

Large-scale molecular simulations are performed to investigate tensile failure of polymer interfaces as a function of welding time t. Changes in the tensile stress, mode of failure and interfacial fracture energy G I are correlated to changes in the interfacial entanglements as determined from Primitive Path Analysis. Bulk polymers fail through craze formation, followed by craze breakdown through chain scission. At small t welded interfaces are not strong enough to support craze formation and fail at small strains through chain pullout at the interface. Once chains have formed an average of about one entanglement across the interface, a stable crazemore » is formed throughout the sample. The failure stress of the craze rises with welding time and the mode of craze breakdown changes from chain pullout to chain scission as the interface approaches bulk strength. The interfacial fracture energy G I is calculated by coupling the simulation results to a continuum fracture mechanics model. As in experiment, G I increases as t 1/2 before saturating at the average bulk fracture energy G b. As in previous studies of shear strength, saturation coincides with the recovery of the bulk entanglement density. Before saturation, G I is proportional to the areal density of interfacial entanglements. Immiscibiltiy limits interdiffusion and thus suppresses entanglements at the interface. Even small degrees of immisciblity reduce interfacial entanglements enough that failure occurs by chain pullout and G I << G b.« less

In situ chemical stimulation of diatomite formations

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

Davis, B.W.

1989-05-09

A method is described of recovering hydrocarbon from a subsurface diatomite formation comprising the steps of: a. introducing an aqueous surface solution into the diatomite formation, the aqueous surface active solution comprising (i) a diatomite/oil/ water wettability improving agent, and (ii) an oil/water interfacial tension lowering agent; and b. producing oil from the diatomite formation.

Effect of Marangoni Convection Generated by Voids on Segregation During Low-G and 1-G Solidification

NASA Technical Reports Server (NTRS)

Kassemi, M.; Fripp, A.; Rashidnia, N.; deGroh, H.

1999-01-01

Solidification experiments, especially microgravity solidification experiments are often hampered by the evolution of unwanted voids or bubbles in the melt. Although these voids and/or bubbles are highly undesirable, there are currently no effective means of preventing their formation or eliminating their adverse effects, particularly, during low-g experiments. Marangoni Convection caused by these voids can drastically change the transport processes in the melt and, therefore, introduce enormous difficulties in interpreting the results of the space investigations. Recent microgravity experiments by Matthiesen, Andrews, and Fripp are all good examples of how the presence of voids and bubbles affect the outcome of costly space experiments and significantly increase the level of difficulty in interpreting their results. In this work we examine mixing caused by Marangoni convection generated by voids and bubbles in the melt during both 1-g and low-g solidification experiments. The objective of the research is to perform a detailed and comprehensive combined numerical-experimental study of Marangoni convection caused by voids during the solidification process and to show how it can affect segregation and growth conditions by modifying the flow, temperature, and species concentration fields in the melt. While Marangoni convection generated by bubbles and voids in the melt can lead to rapid mixing that would negate the benefits of microgravity processing, it could be exploited in some terrestrial processing to ensure effective communication between a melt/solid interface and a gas phase stoichiometry control zone. Thus we hope that this study will not only aid us in interpreting the results of microgravity solidification experiments hampered by voids and bubbles but to guide us in devising possible means of minimizing the adverse effects of Marangoni convection in future space experiments or of exploiting its beneficial mixing features in ground-based solidification.

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

PubMed

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

2017-05-01

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

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

Liu, Fang; Xie, Dong Yue; Majdi, Tahereh

By applying a simple and inexpensive thermal treatment, we synthesized supported gold-oxide nanostructures, which have potential applications to plasmonic devices and biosensors. The regrowth of nominally stable substrates under gold nanoparticles is associated with the appearance of preferential orientations of dewetted nanoparticles and the formation of atomically sharp interfacial monolayers. Steps present at the interfacial monolayer usually occur at defects including the intersection points of twin planes at the interface. They were related to the nucleation and immigration of the interfacial monolayers, prompting the substrate regrowth. Accordingly, we proposed the twin-assisted growth mechanism, which provides insight on the synthesis ofmore » gold-oxide nanostructures. - Highlights: • The twin-assisted growth mechanism is proposed for the abnormal regrowth of substrate underneath Au nanoparticles. • The substrate regrowth is related to the steps and ledges that are present at the Au–MgAl{sub 2}O{sub 4} interfacial monolayers. • Interfacial steps are detected at defects such as the intersecting points of twin planes at the interface.« less

Interfacial Mechanism in Lithium-Sulfur Batteries: How Salts Mediate the Structure Evolution and Dynamics.

PubMed

Lang, Shuang-Yan; Xiao, Rui-Juan; Gu, Lin; Guo, Yu-Guo; Wen, Rui; Wan, Li-Jun

2018-06-08

Lithium-sulfur batteries possess favorable potential for energy-storage applications due to their high specific capacity and the low cost of sulfur. Intensive understanding of the interfacial mechanism, especially the polysulfide formation and transformation under complex electrochemical environment, is crucial for the build-up of advanced batteries. Here we report the direct visualization of interfacial evolution and dynamic transformation of the sulfides mediated by the lithium salts via real-time atomic force microscopy monitoring inside a working battery. The observations indicate that the lithium salts influence the structures and processes of sulfide deposition/decomposition during discharge/charge. Moreover, the distinct ion interaction and diffusion in electrolytes manipulate the interfacial reactions determining the kinetics of the sulfide transformation. Our findings provide deep insights into surface dynamics of lithium-sulfur reactions revealing the salt-mediated mechanisms at nanoscale, which contribute to the profound understanding of the interfacial processes for the optimized design of lithium-sulfur batteries.

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

PubMed

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

2017-10-30

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

Quantitative correlation between the void morphology of niobium-tin wires and their irreversible critical current degradation upon mechanical loading

DOE PAGES

Barth, Christian; Seeber, B.; Rack, A.; ...

2018-04-26

Understanding the critical current performance variation of Nb 3Sn superconducting wires under mechanical loading is a crucial issue for the design of next generation accelerator and fusion magnets. In these applications, the mechanical properties of the conductors may become a limiting factor due to the strong electro-magnetic forces resulting from the combination of large magnets and intense magnetic fields. In particular, the presence of voids in the superconducting filament structure, which are formed during the fabrication and the reaction heat treatment, determines localized stress concentrations and possibly the formation of cracks. In this work, we demonstrate a quantitative correlation betweenmore » the void morphology and the electro-mechanical limits measured on different Bronze route Nb 3Sn wires. Hot Isostatic Pressing (HIP) prior to the reaction heat treatment is utilized to partially eliminate the voids. The wires’ void distributions - with and without HIP treatment - are detected and statistically analyzed using high energy X-ray micro tomography. The stress concentration due to the shape and distribution of the voids as well as their impact on the electro-mechanical properties are determined through finite element method modeling. Lastly, the results are quantitatively correlated with the experimentally determined limits of the irreversible critical current degradation upon mechanical loading.« less

Quantitative correlation between the void morphology of niobium-tin wires and their irreversible critical current degradation upon mechanical loading

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

Barth, Christian; Seeber, B.; Rack, A.

Understanding the critical current performance variation of Nb 3Sn superconducting wires under mechanical loading is a crucial issue for the design of next generation accelerator and fusion magnets. In these applications, the mechanical properties of the conductors may become a limiting factor due to the strong electro-magnetic forces resulting from the combination of large magnets and intense magnetic fields. In particular, the presence of voids in the superconducting filament structure, which are formed during the fabrication and the reaction heat treatment, determines localized stress concentrations and possibly the formation of cracks. In this work, we demonstrate a quantitative correlation betweenmore » the void morphology and the electro-mechanical limits measured on different Bronze route Nb 3Sn wires. Hot Isostatic Pressing (HIP) prior to the reaction heat treatment is utilized to partially eliminate the voids. The wires’ void distributions - with and without HIP treatment - are detected and statistically analyzed using high energy X-ray micro tomography. The stress concentration due to the shape and distribution of the voids as well as their impact on the electro-mechanical properties are determined through finite element method modeling. Lastly, the results are quantitatively correlated with the experimentally determined limits of the irreversible critical current degradation upon mechanical loading.« less

Quantitative correlation between the void morphology of niobium-tin wires and their irreversible critical current degradation upon mechanical loading.

PubMed

Barth, C; Seeber, B; Rack, A; Calzolaio, C; Zhai, Y; Matera, D; Senatore, C

2018-04-26

Understanding the critical current performance variation of Nb 3 Sn superconducting wires under mechanical loading is a crucial issue for the design of next generation accelerator and fusion magnets. In these applications, the mechanical properties of the conductors may become a limiting factor due to the strong electro-magnetic forces resulting from the combination of large magnets and intense magnetic fields. In particular, the presence of voids in the superconducting filament structure, which are formed during the fabrication and the reaction heat treatment, determines localized stress concentrations and possibly the formation of cracks. In this work, we demonstrate a quantitative correlation between the void morphology and the electro-mechanical limits measured on different Bronze route Nb 3 Sn wires. Hot Isostatic Pressing (HIP) prior to the reaction heat treatment is utilized to partially eliminate the voids. The wires' void distributions - with and without HIP treatment - are detected and statistically analyzed using high energy X-ray micro tomography. The stress concentration due to the shape and distribution of the voids as well as their impact on the electro-mechanical properties are determined through finite element method modeling. Finally, the results are quantitatively correlated with the experimentally determined limits of the irreversible critical current degradation upon mechanical loading.

Investigation of Critical Heat Flux in Reduced Gravity Using Photomicrographic Techniques

NASA Technical Reports Server (NTRS)

Mudawar, Issam; Zhang, Hui

2003-01-01

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

Effects of bulk and free surface shear flows on amyloid fibril formation

NASA Astrophysics Data System (ADS)

Posada, David; Sorci, Mirco; Belfort, Georges; Hirsa, Amir

2008-11-01

Amyloid diseases such as Alzheimer's and Huntington's, among others, are characterized by the conversion of monomers to oligomers (precursors) and then to amyloid fibrils. Besides factors such as concentration, pH, and ionic strength, evidence exists that shearing flow strongly influences amyloid formation in vitro. Also, during fibrillation in the presence of either gas or solid surfaces, both the polarity and roughness of the surfaces play a significant role in the kinetics of the fibrillation process. By studying the nucleation and growth of a model system (insulin fibrils) in a well-defined flow field, we can identify the flow and interfacial conditions that impact protein aggregation kinetics. The present flow system consists of an annular region, bounded by stationary inner and outer cylinders and driven by rotation of the floor, with either a hydrophobic (air) or hydrophilic (solid) interface. We show both the combined and separated effects of shear and interfacial hydrophobicity on the fibrillation process, and the use of interfacial shear viscosity as a parameter for quantifying the oligomerization process.

Formation of Voids from Negative Density Perturbations

NASA Astrophysics Data System (ADS)

de Araujo, J. C. N.; Opher, R.

1990-11-01

RESUMEN. Se estudia la formaci6n de huecos a partir de un espectro negativo de perturbaciones, tomando en cuenta la expansi6n del Universo, arrastre por fotones, enfriamiento por fotones, fotoionizaci6n, ioniza- ci6n colisional, enfriamiento Lyman a y la formaci6n y enfriamiento de moleculas H2. Nuestros resultados predicen la existencia de regiones 1/10 de Ia densidad promedio para regiones de masa lO - 1O10M . ABSTRACT. In the present paer we study the formation of voids from a negative spectrum of perturbations taking into account the expansion of the Universe, photon-drag, photon-cooling, photoionization, collisional ionization, Lyman a cooling and the formation and cooling of 112 molecules. Our results predict the existence of regions 1/10 the average density for regions of mass 1O - 1O10M@ : CLUSTERS-GALAXIES - COSMOLOGY

Specimen preparation by ion beam slope cutting for characterization of ductile damage by scanning electron microscopy.

PubMed

Besserer, Hans-Bernward; Gerstein, Gregory; Maier, Hans Jürgen; Nürnberger, Florian

2016-04-01

To investigate ductile damage in parts made by cold sheet-bulk metal forming a suited specimen preparation is required to observe the microstructure and defects such as voids by electron microscopy. By means of ion beam slope cutting both a targeted material removal can be applied and mechanical or thermal influences during preparation avoided. In combination with scanning electron microscopy this method allows to examine voids in the submicron range and thus to analyze early stages of ductile damage. In addition, a relief structure is formed by the selectivity of the ion bombardment, which depends on grain orientation and microstructural defects. The formation of these relief structures is studied using scanning electron microscopy and electron backscatter diffraction and the use of this side effect to interpret the microstructural mechanisms of voids formation by plastic deformation is discussed. A comprehensive investigation of the suitability of ion beam milling to analyze ductile damage is given at the examples of a ferritic deep drawing steel and a dual phase steel. © 2016 Wiley Periodicals, Inc.

Inverted initial conditions: Exploring the growth of cosmic structure and voids

DOE PAGES

Pontzen, Andrew; Roth, Nina; Peiris, Hiranya V.; ...

2016-05-18

We introduce and explore “paired” cosmological simulations. A pair consists of an A and B simulation with initial conditions related by the inversion δ A(x,t initial) = –δ B(x,t initial) (underdensities substituted for overdensities and vice versa). We argue that the technique is valuable for improving our understanding of cosmic structure formation. The A and B fields are by definition equally likely draws from ΛCDM initial conditions, and in the linear regime evolve identically up to the overall sign. As nonlinear evolution takes hold, a region that collapses to form a halo in simulation A will tend to expand tomore » create a void in simulation B. Applications include (i) contrasting the growth of A-halos and B-voids to test excursion-set theories of structure formation, (ii) cross-correlating the density field of the A and B universes as a novel test for perturbation theory, and (iii) canceling error terms by averaging power spectra between the two boxes. Furthermore, generalizations of the method to more elaborate field transformations are suggested.« less

An Efficient Modelling Approach for Prediction of Porosity Severity in Composite Structures

NASA Technical Reports Server (NTRS)

Bedayat, Houman; Forghani, Alireza; Hickmott, Curtis; Roy, Martin; Palmieri, Frank; Grimsley, Brian; Coxon, Brian; Fernlund, Goran

2017-01-01

Porosity, as a manufacturing process-induced defect, highly affects the mechanical properties of cured composites. Multiple phenomena affect the formation of porosity during the cure process. Porosity sources include entrapped air, volatiles and off-gassing as well as bag and tool leaks. Porosity sinks are the mechanisms that contribute to reducing porosity, including gas transport, void shrinkage and collapse as well as resin flow into void space. Despite the significant progress in porosity research, the fundamentals of porosity in composites are not yet fully understood. The highly coupled multi-physics and multi-scale nature of porosity make it a complicated problem to predict. Experimental evidence shows that resin pressure history throughout the cure cycle plays an important role in the porosity of the cured part. Maintaining high resin pressure results in void shrinkage and collapse keeps volatiles in solution thus preventing off-gassing and bubble formation. This study summarizes the latest development of an efficient FE modeling framework to simulate the gas and resin transport mechanisms that are among the major phenomena contributing to porosity.

Modified Back Contact Interface of CZTSe Thin Film Solar Cells: Elimination of Double Layer Distribution in Absorber Layer

PubMed Central

Zhang, Zhaojing; Yao, Liyong; Bi, Jinlian; Gao, Shoushuai; Gao, Qing; Jeng, Ming‐Jer; Sun, Guozhong; Zhou, Zhiqiang; He, Qing; Sun, Yun

2017-01-01

Abstract Double layer distribution exists in Cu2SnZnSe4 (CZTSe) thin films prepared by selenizing the metallic precursors, which will degrade the back contact of Mo substrate to absorber layer and thus suppressing the performance of solar cell. In this work, the double‐layer distribution of CZTSe film is eliminated entirely and the formation of MoSe2 interfacial layer is inhibited successfully. CZTSe film is prepared by selenizing the precursor deposited by electrodeposition method under Se and SnSex mixed atmosphere. It is found that the insufficient reaction between ZnSe and Cu‐Sn‐Se phases in the bottom of the film is the reason why the double layer distribution of CZTSe film is formed. By increasing Sn content in the metallic precursor, thus making up the loss of Sn because of the decomposition of CZTSe and facilitate the diffusion of liquid Cu2Se, the double layer distribution is eliminated entirely. The crystallization of the formed thin film is dense and the grains go through the entire film without voids. And there is no obvious MoSe2 layer formed between CZTSe and Mo. As a consequence, the series resistance of the solar cell reduces significantly to 0.14 Ω cm2 and a CZTSe solar cell with efficiency of 7.2% is fabricated. PMID:29610727

Modified Back Contact Interface of CZTSe Thin Film Solar Cells: Elimination of Double Layer Distribution in Absorber Layer.

PubMed

Zhang, Zhaojing; Yao, Liyong; Zhang, Yi; Ao, Jianping; Bi, Jinlian; Gao, Shoushuai; Gao, Qing; Jeng, Ming-Jer; Sun, Guozhong; Zhou, Zhiqiang; He, Qing; Sun, Yun

2018-02-01

Double layer distribution exists in Cu 2 SnZnSe 4 (CZTSe) thin films prepared by selenizing the metallic precursors, which will degrade the back contact of Mo substrate to absorber layer and thus suppressing the performance of solar cell. In this work, the double-layer distribution of CZTSe film is eliminated entirely and the formation of MoSe 2 interfacial layer is inhibited successfully. CZTSe film is prepared by selenizing the precursor deposited by electrodeposition method under Se and SnSe x mixed atmosphere. It is found that the insufficient reaction between ZnSe and Cu-Sn-Se phases in the bottom of the film is the reason why the double layer distribution of CZTSe film is formed. By increasing Sn content in the metallic precursor, thus making up the loss of Sn because of the decomposition of CZTSe and facilitate the diffusion of liquid Cu 2 Se, the double layer distribution is eliminated entirely. The crystallization of the formed thin film is dense and the grains go through the entire film without voids. And there is no obvious MoSe 2 layer formed between CZTSe and Mo. As a consequence, the series resistance of the solar cell reduces significantly to 0.14 Ω cm 2 and a CZTSe solar cell with efficiency of 7.2% is fabricated.

Robust fabrication of thin film polyamide-TiO2 nanocomposite membranes with enhanced thermal stability and anti-biofouling propensity.

PubMed

Khorshidi, Behnam; Biswas, Ishita; Ghosh, Tanushree; Thundat, Thomas; Sadrzadeh, Mohtada

2018-01-15

The development of nano-enabled composite materials has led to a paradigm shift in the manufacture of high-performance nanocomposite membranes with enhanced permeation, thermo-mechanical, and antibacterial properties. The major challenges to the successful incorporation of nanoparticles (NPs) to polymer films are the severe aggregation of the NPs and the weak compatibility of NPs with polymers. These two phenomena lead to the formation of non-selective voids at the interface of the polymer and NPs, which adversely affect the separation performance of the membrane. To overcome these challenges, we have developed a new method for the fabrication of robust TFN reverse osmosis membranes. This approach relies on the simultaneous synthesis and surface functionalization of TiO 2 NPs in an organic solvent (heptane) via biphasic solvothermal reaction. The resulting stable suspension of the TiO 2 NPs in heptane was then utilized in the interfacial (in-situ) polymerization reaction where the NPs were entrapped within the matrix of the polyamide (PA) membrane. TiO 2 NPs of 10 nm were effectively incorporated into the thin PA layer and improved the thermal stability and anti-biofouling properties of the resulting TFN membranes. These features make our synthesized membranes potential candidates for applications where the treatment of high-temperature streams containing biomaterials is desirable.

Aerosol Particle Interfacial Thermodynamics and Phase Partitioning Measurements Using Biphasic Microfluidics

NASA Astrophysics Data System (ADS)

Dutcher, Cari; Metcalf, Andrew

2015-03-01

Secondary organic aerosol particles are nearly ubiquitous in the atmosphere and yet there remain large uncertainties in their formation processes and ambient properties. These particles are complex microenvironments, which can contain multiple interfaces due to internal aqueous-organic phase partitioning and to the external liquid-vapor surface. Interfacial properties affect the ambient aerosol morphology, or internal structure of the particle, which in turn can affect the way a particle interacts with an environment of condensable clusters and organic vapors. To improve our ability to accurately predict ambient aerosol morphology, we must improve our knowledge of aerosol interfaces and their interactions with the ambient environment. Unfortunately, many techniques employed to measure interfacial properties do so in bulk solutions or in the presence of a ternary (e.g. solid) phase. In this talk, a novel method using biphasic microscale flows will be introduced for generating, trapping, and perturbing complex interfaces at atmospherically relevant conditions. These microfluidic experiments utilize high-speed imaging to monitor interfacial phenomena at the microscale and are performed with phase contrast and fluorescence microscopy on a temperature-controlled inverted microscope stage. From these experiments, interfacial thermodynamic properties such as surface or interfacial tension, rheological properties such as interfacial moduli, and kinetic properties such as mass transfer coefficients can be measured or inferred.

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

PubMed

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

2017-10-11

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

Multiband full-bandwidth anisotropic Eliashberg theory of interfacial electron-phonon coupling and high - Tc superconductivity in FeSe /SrTiO3

NASA Astrophysics Data System (ADS)

Aperis, Alex; Oppeneer, Peter M.

2018-02-01

We examine the impact of interfacial phonons on the superconducting state of FeSe /SrTiO3 developing a material's specific multiband, full bandwidth, and anisotropic Eliashberg theory for this system. Our self-consistent calculations highlight the importance of the interfacial electron-phonon interaction, which is hidden behind the seemingly weak-coupling constant λm=0.4 , in mediating the high Tc, and explain other puzzling experimental observations, such as the s -wave symmetry and replica bands. We discover that the formation of replica bands has a Tc decreasing effect that is nevertheless compensated by deep Fermi-sea Cooper pairing which has a Tc enhancing effect. We predict a strong-coupling dip-hump signature in the tunneling spectra due to the interfacial coupling.

Effects of Different Barium Compounds on the Corrosion Resistance of Andalusite-Based Low-Cement Castables in Contact with Molten Al-Alloy

NASA Astrophysics Data System (ADS)

Adabifiroozjaei, Esmaeil; Koshy, Pramod; Rastkerdar, Ebad

2011-08-01

An experimental study was conducted to investigate the interfacial phenomena between an Al alloy and andalusite low-cement castables (LCCs) containing fixed contents of barium compounds (BaO, BaSO4, and BaCO3) at 1123 K and 1433 K (850 °C and 1160 °C) using the Alcoa cup test. Interfacial reaction products and phases formed during heat treatment of the refractory samples were characterized using scanning electron microscopy (SEM) coupled with energy dispersive spectrometry (EDS) and X-ray diffraction analysis (XRD). The addition of both BaO and BaSO4 led to a significant reduction of alloy penetration into the refractory. Hexa-celsian formation was observed in both these refractories, which drastically increased their corrosion resistance. Barite decomposition was observed at 1373 K (1100 °C) in the presence of alumina and silica, which was the precursor for hexa-celsian formation. Barium silicates were formed in all samples containing additives; however, this did not have any major influence on the corrosion resistance. Solidified eutectics of BaSi2 and α-BaAl2Si2 formed in all these samples, which acted as an interfacial barrier that prevented additional molten aluminum penetration; however, the positive effect of intermetallic formation was offset by glassy phase formation in samples containing BaCO3 as the additive.

Double-plasma enhanced carbon shield for spatial/interfacial controlled electrodes in lithium ion batteries via micro-sized silicon from wafer waste

NASA Astrophysics Data System (ADS)

Chen, Bing-Hong; Chuang, Shang-I.; Duh, Jenq-Gong

2016-11-01

Using spatial and interfacial control, the micro-sized silicon waste from wafer slurry could greatly increase its retention potential as a green resource for silicon-based anode in lithium ion batteries. Through step by step spatial and interfacial control for electrode, the cyclability of recycled waste gains potential performance from its original poor retention property. In the stages of spatial control, the electrode stabilizers of active, inactive and conductive additives were mixed into slurries for maintaining architecture and conductivity of electrode. In addition, a fusion electrode modification of interfacial control combines electrolyte additive, technique of double-plasma enhanced carbon shield (D-PECS) to convert the chemical bond states and to alter the formation of solid electrolyte interphases (SEIs) in the first cycle. The depth profiles of chemical composition from external into internal electrode illustrate that the fusion electrode modification not only forms a boundary to balance the interface between internal and external electrodes but also stabilizes the SEIs formation and soothe the expansion of micro-sized electrode. Through these effect approaches, the performance of micro-sized Si waste electrode can be boosted from its serious capacity degradation to potential retention (200 cycles, 1100 mAh/g) and better meet the requirements for facile and cost-effective in industrial production.

Probing Interfacial Processes on Graphene Surface by Mass Detection

NASA Astrophysics Data System (ADS)

Kakenov, Nurbek; Kocabas, Coskun

2013-03-01

In this work we studied the mass density of graphene, probed interfacial processes on graphene surface and examined the formation of graphene oxide by mass detection. The graphene layers were synthesized by chemical vapor deposition method on copper foils and transfer-printed on a quartz crystal microbalance (QCM). The mass density of single layer graphene was measured by investigating the mechanical resonance of the QCM. Moreover, we extended the developed technique to probe the binding dynamics of proteins on the surface of graphene, were able to obtain nonspecific binding constant of BSA protein of graphene surface in aqueous solution. The time trace of resonance signal showed that the BSA molecules rapidly saturated by filling the available binding sites on graphene surface. Furthermore, we monitored oxidation of graphene surface under oxygen plasma by tracing the changes of interfacial mass of the graphene controlled by the shifts in Raman spectra. Three regimes were observed the formation of graphene oxide which increases the interfacial mass, the release of carbon dioxide and the removal of small graphene/graphene oxide flakes. Scientific and Technological Research Council of Turkey (TUBITAK) grant no. 110T304, 109T209, Marie Curie International Reintegration Grant (IRG) grant no 256458, Turkish Academy of Science (TUBA-Gebip).

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

PubMed

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

2008-04-01

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

High-resolution simulations of cylindrical void collapse in energetic materials: Effect of primary and secondary collapse on initiation thresholds

NASA Astrophysics Data System (ADS)

Rai, Nirmal Kumar; Schmidt, Martin J.; Udaykumar, H. S.

2017-04-01

Void collapse in energetic materials leads to hot spot formation and enhanced sensitivity. Much recent work has been directed towards simulation of collapse-generated reactive hot spots. The resolution of voids in calculations to date has varied as have the resulting predictions of hot spot intensity. Here we determine the required resolution for reliable cylindrical void collapse calculations leading to initiation of chemical reactions. High-resolution simulations of collapse provide new insights into the mechanism of hot spot generation. It is found that initiation can occur in two different modes depending on the loading intensity: Either the initiation occurs due to jet impact at the first collapse instant or it can occur at secondary lobes at the periphery of the collapsed void. A key observation is that secondary lobe collapse leads to large local temperatures that initiate reactions. This is due to a combination of a strong blast wave from the site of primary void collapse and strong colliding jets and vortical flows generated during the collapse of the secondary lobes. The secondary lobe collapse results in a significant lowering of the predicted threshold for ignition of the energetic material. The results suggest that mesoscale simulations of void fields may suffer from significant uncertainty in threshold predictions because unresolved calculations cannot capture the secondary lobe collapse phenomenon. The implications of this uncertainty for mesoscale simulations are discussed in this paper.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches

NASA Astrophysics Data System (ADS)

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-01

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the ‘pseudo-interfacial energy’ that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

Stacking fault energy of face-centered cubic metals: thermodynamic and ab initio approaches.

PubMed

Li, Ruihuan; Lu, Song; Kim, Dongyoo; Schönecker, Stephan; Zhao, Jijun; Kwon, Se Kyun; Vitos, Levente

2016-10-05

The formation energy of the interface between face-centered cubic (fcc) and hexagonal close packed (hcp) structures is a key parameter in determining the stacking fault energy (SFE) of fcc metals and alloys using thermodynamic calculations. It is often assumed that the contribution of the planar fault energy to the SFE has the same order of magnitude as the bulk part, and thus the lack of precise information about it can become the limiting factor in thermodynamic predictions. Here, we differentiate between the interfacial energy for the coherent fcc(1 1 1)/hcp(0 0 0 1) interface and the 'pseudo-interfacial energy' that enters the thermodynamic expression for the SFE. Using first-principles calculations, we determine the coherent and pseudo-interfacial energies for six elemental metals (Al, Ni, Cu, Ag, Pt, and Au) and three paramagnetic Fe-Cr-Ni alloys. Our results show that the two interfacial energies significantly differ from each other. We observe a strong chemistry dependence for both interfacial energies. The calculated pseudo-interfacial energies for the Fe-Cr-Ni steels agree well with the available literature data. We discuss the effects of strain on the description of planar faults via thermodynamic and ab initio approaches.

Interfacial activity in alkaline flooding enhanced oil recovery

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

Chan, M.K.

1981-01-01

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

Spontaneous nano-gap formation in Ag film using NaCl sacrificial layer for Raman enhancement

NASA Astrophysics Data System (ADS)

Min, Kyungchan; Jeon, Wook Jin; Kim, Youngho; Choi, Jae-Young; Yu, Hak Ki

2018-03-01

We report the method of fabrication of nano-gaps (known as hot spots) in Ag thin film using a sodium chloride (NaCl) sacrificial layer for Raman enhancement. The Ag thin film (20-50 nm) on the NaCl sacrificial layer undergoes an interfacial reaction due to the AgCl formed at the interface during water molecule intercalation. The intercalated water molecules can dissolve the NaCl molecules at interfaces and form the ionic state of Na+ and Cl-, promoting the AgCl formation. The Ag atoms can migrate by the driving force of this interfacial reaction, resulting in the formation of nano-size gaps in the film. The surface-enhanced Raman scattering activity of Ag films with nano-size gaps has been investigated using Raman reporter molecules, Rhodamine 6G (R6G).

Intermolecular network analysis of the liquid and vapor interfaces of pentane and water: microsolvation does not trend with interfacial properties.

PubMed

Ghadar, Yasaman; Clark, Aurora E

2014-06-28

Liquid:vapor and liquid:liquid interfaces exhibit complex organizational structure and dynamics at the molecular level. In the case of water and organic solvents, the hydrophobicity of the organic, its conformational flexibility, and compressibility, all influence interfacial properties. This work compares the interfacial tension, width, molecular conformations and orientations at the vapor and aqueous liquid interfaces of two solvents, n-pentane and neopentane, whose varying molecular shapes can lead to significantly different interfacial behavior. Particular emphasis has been dedicated toward understanding how the hydrogen bond network of water responds to the pentane relative to the vapor interface and the sensitivity of the network to the individual pentane isomer and system temperature. Interfacial microsolvation of the immiscible solvents has been examined using graph theoretical methods that quantify the structure and dynamics of microsolvated species (both H2O in C5H12 and C5H12 in H2O). At room temperature, interfacial water at the pentane phase boundary is found to have markedly different organization and dynamics than at the vapor interface (as indicated by the hydrogen bond distributions and hydrogen bond persistence in solution). While the mesoscale interfacial properties (e.g. interfacial tension) are sensitive to the specific pentane isomer, the distribution and persistence of microsolvated species at the interface is nearly identical for both systems, irrespective of temperature (between 273 K and 298 K). This has important implications for understanding how properties defined by the interfacial organization are related to the underlying solvation reactions that drive formation of the phase boundary.

Galaxy Clustering Topology in the Sloan Digital Sky Survey Main Galaxy Sample: A Test for Galaxy Formation Models

NASA Astrophysics Data System (ADS)

Choi, Yun-Young; Park, Changbom; Kim, Juhan; Gott, J. Richard, III; Weinberg, David H.; Vogeley, Michael S.; Kim, Sungsoo S.; SDSS Collaboration

2010-09-01

We measure the topology of the main galaxy distribution using the Seventh Data Release of the Sloan Digital Sky Survey, examining the dependence of galaxy clustering topology on galaxy properties. The observational results are used to test galaxy formation models. A volume-limited sample defined by Mr < -20.19 enables us to measure the genus curve with an amplitude of G = 378 at 6 h -1 Mpc smoothing scale, with 4.8% uncertainty including all systematics and cosmic variance. The clustering topology over the smoothing length interval from 6 to 10 h -1 Mpc reveals a mild scale dependence for the shift (Δν) and void abundance (AV ) parameters of the genus curve. We find substantial bias in the topology of galaxy clustering with respect to the predicted topology of the matter distribution, which varies with luminosity, morphology, color, and the smoothing scale of the density field. The distribution of relatively brighter galaxies shows a greater prevalence of isolated clusters and more percolated voids. Even though early (late)-type galaxies show topology similar to that of red (blue) galaxies, the morphology dependence of topology is not identical to the color dependence. In particular, the void abundance parameter AV depends on morphology more strongly than on color. We test five galaxy assignment schemes applied to cosmological N-body simulations of a ΛCDM universe to generate mock galaxies: the halo-galaxy one-to-one correspondence model, the halo occupation distribution model, and three implementations of semi-analytic models (SAMs). None of the models reproduces all aspects of the observed clustering topology; the deviations vary from one model to another but include statistically significant discrepancies in the abundance of isolated voids or isolated clusters and the amplitude and overall shift of the genus curve. SAM predictions of the topology color dependence are usually correct in sign but incorrect in magnitude. Our topology tests indicate that, in these models, voids should be emptier and more connected and the threshold for galaxy formation should be at lower densities.

Prediction of Fracture Behavior in Rock and Rock-like Materials Using Discrete Element Models

NASA Astrophysics Data System (ADS)

Katsaga, T.; Young, P.

2009-05-01

The study of fracture initiation and propagation in heterogeneous materials such as rock and rock-like materials are of principal interest in the field of rock mechanics and rock engineering. It is crucial to study and investigate failure prediction and safety measures in civil and mining structures. Our work offers a practical approach to predict fracture behaviour using discrete element models. In this approach, the microstructures of materials are presented through the combination of clusters of bonded particles with different inter-cluster particle and bond properties, and intra-cluster bond properties. The geometry of clusters is transferred from information available from thin sections, computed tomography (CT) images and other visual presentation of the modeled material using customized AutoCAD built-in dialog- based Visual Basic Application. Exact microstructures of the tested sample, including fractures, faults, inclusions and void spaces can be duplicated in the discrete element models. Although the microstructural fabrics of rocks and rock-like structures may have different scale, fracture formation and propagation through these materials are alike and will follow similar mechanics. Synthetic material provides an excellent condition for validating the modelling approaches, as fracture behaviours are known with the well-defined composite's properties. Calibration of the macro-properties of matrix material and inclusions (aggregates), were followed with the overall mechanical material responses calibration by adjusting the interfacial properties. The discrete element model predicted similar fracture propagation features and path as that of the real sample material. The path of the fractures and matrix-inclusion interaction was compared using computed tomography images. Initiation and fracture formation in the model and real material were compared using Acoustic Emission data. Analysing the temporal and spatial evolution of AE events, collected during the sample testing, in relation to the CT images allows the precise reconstruction of the failure sequence. Our proposed modelling approach illustrates realistic fracture formation and growth predictions at different loading conditions.

Discrete Self-Similarity in Interfacial Hydrodynamics and the Formation of Iterated Structures.

PubMed

Dallaston, Michael C; Fontelos, Marco A; Tseluiko, Dmitri; Kalliadasis, Serafim

2018-01-19

The formation of iterated structures, such as satellite and subsatellite drops, filaments, and bubbles, is a common feature in interfacial hydrodynamics. Here we undertake a computational and theoretical study of their origin in the case of thin films of viscous fluids that are destabilized by long-range molecular or other forces. We demonstrate that iterated structures appear as a consequence of discrete self-similarity, where certain patterns repeat themselves, subject to rescaling, periodically in a logarithmic time scale. The result is an infinite sequence of ridges and filaments with similarity properties. The character of these discretely self-similar solutions as the result of a Hopf bifurcation from ordinarily self-similar solutions is also described.

Volume change associated with formation and dissociation of hydrate in sediment

USGS Publications Warehouse

Ruppel, Carolyn D.; Lee, J.Y.; Santamarina, J. Carlos

2017-01-01

Gas hydrate formation and dissociation in sediments are accompanied by changes in the bulk volume of the sediment and can lead to changes in sediment properties, loss of integrity for boreholes, and possibly regional subsidence of the ground surface over areas where methane might be produced from gas hydrate in the future. Experiments on sand, silts, and clay subject to different effective stress and containing different saturations of hydrate formed from dissolved phase tetrahydrofuran are used to systematically investigate the impact of gas hydrate formation and dissociation on bulk sediment volume. Volume changes in low specific surface sediments (i.e., having a rigid sediment skeleton like sand) are much lower than those measured in high specific surface sediments (e.g., clay). Early hydrate formation is accompanied by contraction for all soils and most stress states in part because growing gas hydrate crystals buckle skeletal force chains. Dilation can occur at high hydrate saturations. Hydrate dissociation under drained, zero lateral strain conditions is always associated with some contraction, regardless of soil type, effective stress level, or hydrate saturation. Changes in void ratio during formation-dissociation decrease at high effective stress levels. The volumetric strain during dissociation under zero lateral strain scales with hydrate saturation and sediment compressibility. The volumetric strain during dissociation under high shear is a function of the initial volume average void ratio and the stress-dependent critical state void ratio of the sediment. Other contributions to volume reduction upon hydrate dissociation are related to segregated hydrate in lenses and nodules. For natural gas hydrates, some conditions (e.g., gas production driven by depressurization) might contribute to additional volume reduction by increasing the effective stress.

Mesoscale Fracture Analysis of Multiphase Cementitious Composites Using Peridynamics

PubMed Central

Yaghoobi, Amin; Chorzepa, Mi G.; Kim, S. Sonny; Durham, Stephan A.

2017-01-01

Concrete is a complex heterogeneous material, and thus, it is important to develop numerical modeling methods to enhance the prediction accuracy of the fracture mechanism. In this study, a two-dimensional mesoscale model is developed using a non-ordinary state-based peridynamic (NOSBPD) method. Fracture in a concrete cube specimen subjected to pure tension is studied. The presence of heterogeneous materials consisting of coarse aggregates, interfacial transition zones, air voids and cementitious matrix is characterized as particle points in a two-dimensional mesoscale model. Coarse aggregates and voids are generated using uniform probability distributions, while a statistical study is provided to comprise the effect of random distributions of constituent materials. In obtaining the steady-state response, an incremental and iterative solver is adopted for the dynamic relaxation method. Load-displacement curves and damage patterns are compared with available experimental and finite element analysis (FEA) results. Although the proposed model uses much simpler material damage models and discretization schemes, the load-displacement curves show no difference from the FEA results. Furthermore, no mesh refinement is necessary, as fracture is inherently characterized by bond breakages. Finally, a sensitivity study is conducted to understand the effect of aggregate volume fraction and porosity on the load capacity of the proposed mesoscale model. PMID:28772518

Band alignment and interfacial chemical structure of the HfLaO/InGaZnO4 heterojunction investigated by x-ray photoelectron spectroscopy

NASA Astrophysics Data System (ADS)

Qian, Ling-Xuan; Wu, Ze-Han; Zhang, Yi-Yu; Liu, Yuan; Song, Jia-Qi; Liu, Xing-Zhao; Li, Yan-Rong

2017-04-01

Amorphous InGaZnO4 thin film transistors (a-IGZO TFTs) with HfLaO gate dielectrics have been widely demonstrated to possess extremely excellent electrical characteristics, and thus show great potential for applications in various next-generation electronic products. Nevertheless, the in-depth understanding of HfLaO/IGZO interfacial features is still lacking, which makes further device optimization lack clear guidance. In this work, the band alignment and interfacial chemical structure of a sputtering-prepared HfLaO/IGZO heterojunction was investigated through x-ray photoelectron spectroscopy. The valence and conduction band offsets (ΔE v and ΔE c) at the interface were determined to be 0.57 eV and 1.48 eV, respectively. The relatively large ΔE v is mainly attributed to the formation of the interfacial layer (IL) and thus the upward band bending from IGZO to the surface of HfLaO. Furthermore, it was found that the oxygen vacancies on the surface of IGZO were significantly suppressed upon the deposition of HfLaO, which not only explained the previously reported ultrahigh performance of a-IGZO/HfLaO TFTs to some extent, but also additionally validated the formation of the IL. Our findings have successfully revealed the importance of ILs in modifying the band alignment and interfacial trap states of HfLaO/IGZO heterojunctions, thus suggesting a potential route to further optimizing a-IGZO/HfLaO TFTs so as to satisfy the requirements of next-generation technologies.

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

PubMed Central

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

2013-01-01

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

Investigation of nanoscale voids in Sb-doped p-type ZnO nanowires.

PubMed

Pradel, Ken C; Uzuhashi, Jun; Takei, Toshiaki; Ohkubo, Tadakatsu; Hono, Kazuhiro; Fukata, Naoki

2018-08-17

While it has multiple advantageous optoelectronic and piezoelectric properties, the application of zinc oxide has been limited by the lack of a stable p-type dopant. Recently, it was discovered that antimony doping can lead to stable p-type doping in ZnO, but one curious side effect of the doping process is the formation of voids inside the nanowire. While previously used as a signifier of successful doping, up until now, little research has been performed on these structures themselves. In this work, the effect of annealing on the size and microstructure of the voids was investigated using TEM and XRD, finding that the voids form around a region of Zn 7 Sb 2 O 12 . Furthermore, using Raman spectroscopy, a new peak associated with successful doping was identified. The most surprising finding, however, was the presence of water trapped inside the nanowire, showing that this is actually a composite structure. Water was initially discovered in the nanowires using atom probe tomography, and verified using Raman spectroscopy.

Nebular Metallicities in Two Isolated Local Void Dwarf Galaxies

NASA Astrophysics Data System (ADS)

Nicholls, David C.; Jerjen, Helmut; Dopita, Michael A.; Basurah, Hassan

2014-01-01

Isolated dwarf galaxies, especially those situated in voids, may provide insight into primordial conditions in the universe and the physical processes that govern star formation in undisturbed stellar systems. The metallicity of H II regions in such galaxies is key to investigating this possibility. From the SIGRID sample of isolated dwarf galaxies, we have identified two exceptionally isolated objects, the Local Void galaxy [KK98]246 (ESO 461-G036) and another somewhat larger dwarf irregular on the edge of the Local Void, MCG-01-41-006 (HIPASS J1609-04). We report our measurements of the nebular metallicities in these objects. The first object has a single low luminosity H II region, while the second is in a more vigorous star forming phase with several bright H II regions. We find that the metallicities in both galaxies are typical for galaxies of this size, and do not indicate the presence of any primordial gas, despite (for [KK98]246) the known surrounding large reservoir of neutral hydrogen.

Cavitation instability as a trigger of aneurysm rupture.

PubMed

Volokh, K Y

2015-10-01

Aneurysm formation and growth is accompanied by microstructural alterations in the arterial wall. Particularly, the loss of elastin may lead to tissue disintegration and appearance of voids or cavities at the micron scale. Unstable growth and coalescence of voids may be a predecessor and trigger for the onset of macroscopic cracks. In the present work, we analyze the instability of membrane (2D) and bulk (3D) voids under hydrostatic tension by using two experimentally calibrated constitutive models of abdominal aortic aneurysm enhanced with energy limiters. The limiters provide the saturation value for the strain energy, which indicates the maximum energy that can be stored and dissipated by an infinitesimal material volume. We find that the unstable growth of voids can start when the critical stress is considerably less than the aneurysm strength. Moreover, this critical stress may even approach the arterial wall stress in the physiological range. This finding suggests that cavitation instability can be a rational indicator of the aneurysm rupture.

Atomistic Simulation of Initiation in Hexanitrostilbene

NASA Astrophysics Data System (ADS)

Shan, Tzu-Ray; Wixom, Ryan; Yarrington, Cole; Thompson, Aidan

2015-06-01

We report on the effect of cylindrical voids on hot spot formation, growth and chemical reaction initiation in hexanitrostilbene (HNS) crystals subjected to shock. Large-scale, reactive molecular dynamics simulations are performed using the reactive force field (ReaxFF) as implemented in the LAMMPS software. The ReaxFF force field description for HNS has been validated previously by comparing the isothermal equation of state to available diamond anvil cell (DAC) measurements and density function theory (DFT) calculations and by comparing the primary dissociation pathway to ab initio calculations. Micron-scale molecular dynamics simulations of a supported shockwave propagating through the HNS crystal along the [010] orientation are performed with an impact velocity (or particle velocity) of 1.25 km/s, resulting in shockwave propagation at 4.0 km/s in the bulk material and a bulk shock pressure of ~ 11GPa. The effect of cylindrical void sizes varying from 0.02 to 0.1 μm on hot spot formation and growth rate has been studied. Interaction between multiple voids in the HNS crystal and its effect on hot spot formation will also be addressed. Results from the micron-scale atomistic simulations are compared with hydrodynamics simulations. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. DOE National Nuclear Security Administration under Contract DE-AC04-94AL85000.

Molecular dynamics studies of interfacial water at the alumina surface.

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

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

2011-01-01

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

Probabilistic immortality of Cu damascene interconnects

NASA Astrophysics Data System (ADS)

Hau-Riege, Stefan P.

2002-02-01

We have studied electromigration short-line effects in Cu damascene interconnects through experiments on lines of various lengths L, stressed at a variety of current densities j, and embedded in different dielectric materials. We observed two modes of resistance evolution: Either the resistance of the lines remains constant for the duration of the test, so that the lines are considered immortal, or the lines fail due to abrupt open-circuit failure. The resistance was not observed to gradually increase and then saturate, as commonly observed in Al-based interconnects, because the barrier is too thin and resistive to serve as a redundant current path should voiding occur. The critical stress for void nucleation was found to be smaller than 41 MPa, since voiding occurred even under the mildest test conditions of j=2 MA/cm2 and L=10.5 μm at 300 °C. A small fraction of short Cu lines failed even at low current densities, which deems necessary a concept of probabilistic immortality rather than deterministic immortality. Experiments and modeling suggest that the probability of immortality is described by (jL2/B), where B is the effective elastic modulus of the metallization scheme. By contrast, the immortality of Al-based interconnects with shunt layers is described by (jL) if no voids nucleate, and (jL/B) if voids do nucleate. Even though the phenomenology of short-line effects differs for Al- and Cu-based interconnects, the immortality of interconnects of either materials system can be explained by the phenomena of nucleation barriers for void formation and void-growth saturation. The differences are due solely to the absence of a shunt layer and the low critical stress for void nucleation in the case of Cu.

Application of 3D Electrical Resistivity Tomography As A Tool for Mapping Subsurface Cavities in a Kaolin Mining Site at Kankara in North Central Nigeria.

NASA Astrophysics Data System (ADS)

Eshimiakhe, D.; Jimoh, R.

2017-12-01

A Kaolin mining site at Dajin Gwanma in north central Nigeria was investigated to determine the possibility of using 3D ERT to detect subsurface voids created due to mining of kaolin deposit and to perhaps suggest areas prone to subsidence. This study was undertaken on conceptual resistivity model that subsurface voids characterized by higher or lower resistivity than the host, depending on weather the void is in-filled water or not. The data collection was carried out with Terrameter SAS 4000 and ES 464 electrode selector equipment. Dipole-dipole configuration at electrode spacing of 5m was used to acquire the data along parallel profiles laid at equal interval in the study area. While the acquired data along each profile were inverted with 2D algorithm, a script file was created to collate the 2D data set into a 3D format and subsequently inverted using 3D algorithm. A volumetric resistivity model block of the study area was also created using the voxler 4 software. The results show that the voids are characterized by high resistivity (950Ωm-2500Ωm) at depth of between 0-4m and low resistivity (10Ωm-100Ωm) at a depth of 5-30m indicating both air-filled and water-filled voids respectively. The study shows that the voids increase in dimension with depth in NW-SE direction, suggesting that the voids are trending most probably along vertical bedrock joints. It also suggest that voids may overtime grow large enough that the overlying top soil can no longer bridge it, leading to its collapse.

Computational study of interfacial charge transfer complexes of 2-anthroic acid adsorbed on a titania nanocluster for direct injection solar cells

NASA Astrophysics Data System (ADS)

Manzhos, Sergei; Kotsis, Konstantinos

2016-09-01

Adsorption and light absorption properties of interfacial charge transfer complexes of 2-anthroic acid and titania, promising for direct-injection solar cells, are studied ab initio. The formation of interfacial charge transfer bands is observed. The intensity of visible absorption is relatively low, highlighting a key challenge facing direct injection cells. We show that the popular strategy of using a lower level of theory for geometry optimization followed by single point calculations of adsorption or optical properties introduces significant errors which have been underappreciated: by up to 3 eV in adsorption energies, by up to 5 times in light absorption intensity.

Thermal conductivity of tungsten: Effects of plasma-related structural defects from molecular-dynamics simulations

NASA Astrophysics Data System (ADS)

Hu, Lin; Wirth, Brian D.; Maroudas, Dimitrios

2017-08-01

We report results on the lattice thermal conductivities of tungsten single crystals containing nanoscale-sized pores or voids and helium (He) nanobubbles as a function of void/bubble size and gas pressure in the He bubbles based on molecular-dynamics simulations. For reference, we calculated lattice thermal conductivities of perfect tungsten single crystals along different crystallographic directions at room temperature and found them to be about 10% of the overall thermal conductivity of tungsten with a weak dependence on the heat flux direction. The presence of nanoscale voids in the crystal causes a significant reduction in its lattice thermal conductivity, which decreases with increasing void size. Filling the voids with He to form He nanobubbles and increasing the bubble pressure leads to further significant reduction of the tungsten lattice thermal conductivity, down to ˜20% of that of the perfect crystal. The anisotropy in heat conduction remains weak for tungsten single crystals containing nanoscale-sized voids and He nanobubbles throughout the pressure range examined. Analysis of the pressure and atomic displacement fields in the crystalline region that surrounds the He nanobubbles reveals that the significant reduction of tungsten lattice thermal conductivity in this region is due to phonon scattering from the nanobubbles, as well as lattice deformation around the nanobubbles and formation of lattice imperfections at higher bubble pressure.

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

Effect of Concentration on the Interfacial and Bulk Structure of Ionic Liquids in Aqueous Solution.

PubMed

Cheng, H-W; Weiss, H; Stock, P; Chen, Y-J; Reinecke, C R; Dienemann, J-N; Mezger, M; Valtiner, M

2018-02-27

Bio and aqueous applications of ionic liquids (IL) such as catalysis in micelles formed in aqueous IL solutions or extraction of chemicals from biologic materials rely on surface-active and self-assembly properties of ILs. Here, we discuss qualitative relations of the interfacial and bulk structuring of a water-soluble surface-active IL ([C 8 MIm][Cl]) on chemically controlled surfaces over a wide range of water concentrations using both force probe and X-ray scattering experiments. Our data indicate that IL structuring evolves from surfactant-like surface adsorption at low IL concentrations, to micellar bulk structure adsorption above the critical micelle concentration, to planar bilayer formation in ILs with <1 wt % of water and at high charging of the surface. Interfacial structuring is controlled by mesoscopic bulk structuring at high water concentrations. Surface chemistry and surface charges decisively steer interfacial ordering of ions if the water concentration is low and/or the surface charge is high. We also demonstrate that controlling the interfacial forces by using self-assembled monolayer chemistry allows tuning of interfacial structures. Both the ratio of the head group size to the hydrophobic tail volume as well as the surface charging trigger the bulk structure and offer a tool for predicting interfacial structures. Based on the applied techniques and analyses, a qualitative prediction of molecular layering of ILs in aqueous systems is possible.

Method for producing components with internal architectures, such as micro-channel reactors, via diffusion bonding sheets

DOEpatents

Alman, David E [Corvallis, OR; Wilson, Rick D [Corvallis, OR; Davis, Daniel L [Albany, OR

2011-03-08

This invention relates to a method for producing components with internal architectures, and more particularly, this invention relates to a method for producing structures with microchannels via the use of diffusion bonding of stacked laminates. Specifically, the method involves weakly bonding a stack of laminates forming internal voids and channels with a first generally low uniaxial pressure and first temperature such that bonding at least between the asperites of opposing laminates occurs and pores are isolated in interfacial contact areas, followed by a second generally higher isostatic pressure and second temperature for final bonding. The method thereby allows fabrication of micro-channel devices such as heat exchangers, recuperators, heat-pumps, chemical separators, chemical reactors, fuel processing units, and combustors without limitation on the fin aspect ratio.

Anomalous spin-dependent tunneling statistics in Fe/MgO/Fe junctions induced by disorder at the interface

NASA Astrophysics Data System (ADS)

Yan, Jiawei; Wang, Shizhuo; Xia, Ke; Ke, Youqi

2018-01-01

We present first-principles analysis of interfacial disorder effects on spin-dependent tunneling statistics in thin Fe/MgO/Fe magnetic tunnel junctions. We find that interfacial disorder scattering can significantly modulate the tunneling statistics in the minority spin of the parallel configuration (PC) while all other spin channels remain dominated by the Poissonian process. For the minority-spin channel of PC, interfacial disorder scattering favors the formation of resonant tunneling channels by lifting the limitation of symmetry conservation at low concentration, presenting an important sub-Poissonian process in PC, but is destructive to the open channels at high concentration. We find that the important modulation of tunneling statistics is independent of the type of interfacial disorder. A bimodal distribution function of transmission with disorder dependence is introduced and fits very well our first-principles results. The increase of MgO thickness can quickly change the tunneling from a sub-Poissonian to Poissonian dominated process in the minority spin of PC with disorder. Our results provide a sensitive detection method of an ultralow concentration of interfacial defects.

Oxidation-Mediated Fingering in Liquid Metals

NASA Astrophysics Data System (ADS)

Eaker, Collin B.; Hight, David C.; O'Regan, John D.; Dickey, Michael D.; Daniels, Karen E.

2017-10-01

We identify and characterize a new class of fingering instabilities in liquid metals; these instabilities are unexpected due to the large interfacial tension of metals. Electrochemical oxidation lowers the effective interfacial tension of a gallium-based liquid metal alloy to values approaching zero, thereby inducing drastic shape changes, including the formation of fractals. The measured fractal dimension (D =1.3 ±0.05 ) places the instability in a different universality class than other fingering instabilities. By characterizing changes in morphology and dynamics as a function of droplet volume and applied electric potential, we identify the three main forces involved in this process: interfacial tension, gravity, and oxidative stress. Importantly, we find that electrochemical oxidation can generate compressive interfacial forces that oppose the tensile forces at a liquid interface. The surface oxide layer ultimately provides a physical and electrochemical barrier that halts the instabilities at larger positive potentials. Controlling the competition between interfacial tension and oxidative (compressive) stresses at the interface is important for the development of reconfigurable electronic, electromagnetic, and optical devices that take advantage of the metallic properties of liquid metals.

Interfacial Properties of EXXPRO(TM) and General Purpose Elastomers

NASA Astrophysics Data System (ADS)

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

1998-03-01

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

Shock wave induced damage of a protein by void collapse

DOE PAGES

Lau, Edmond Y.; Berkowitz, Max L.; Schwegler, Eric R.

2016-01-05

In this study, we report on a series of molecular dynamics simulations that were used to examine the effects of shockwaves on a membrane bound ion channel. A planar shockwave was found to compress the ion channel upon impact but the protein geometry resembles the initial structure as soon as the solvent density begins to dissipate. When a void was placed in close proximity to the membrane, the shockwave proved to be much more destructive to the protein due to formation of a nanojet that results from the asymmetric collapse of the void. The nanojet was able to cause significantmore » structural changes to the protein even at low particle velocities that are not able to directly cause poration of the membrane.« less

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

PubMed

Dann, Kevin; Rosenfeld, Liat

2018-05-29

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

Identification of amino acids that promote specific and rigid TAR RNA-tat protein complex formation.

PubMed

Edwards, Thomas E; Robinson, Bruce H; Sigurdsson, Snorri Th

2005-03-01

The Tat protein and the transactivation responsive (TAR) RNA form an essential complex in the HIV lifecycle, and mutations in the basic region of the Tat protein alter this RNA-protein molecular recognition. Here, EPR spectroscopy was used to identify amino acids, flanking an essential arginine of the Tat protein, which contribute to specific and rigid TAR-Tat complex formation by monitoring changes in the mobility of nitroxide spin-labeled TAR RNA nucleotides upon binding. Arginine to lysine N-terminal mutations did not affect TAR RNA interfacial dynamics. In contrast, C-terminal point mutations, R56 in particular, affected the mobility of nucleotides U23 and U38, which are involved in a base-triple interaction in the complex. This report highlights the role of dynamics in specific molecular complex formation and demonstrates the ability of EPR spectroscopy to study interfacial dynamics of macromolecular complexes.

Chemical Imaging of Nanoscale Interfacial Inhomogeneity in LiFePO4 Composite Electrodes from a Cycled Large-Format Battery.

PubMed

Zhou, Jigang; Wang, Jian; Hu, Yongfeng; Lu, Mi

2017-11-15

The nanoscale interfacial inhomogeneity in a cycled large-format LiFePO 4 (LFP) composite electrode has been studied by X-ray photoemission electron microscopy at single particle spatial resolution with a probe depth of ∼5 nm. The loss of active lithium in cycled LFP causes the coexsitence of fully delithiated LFP (FePO 4 ) and partially delithiated LFP (Li 0.6 FePO 4 or Li 0.8 FePO 4 ) as a function of the extent of lithium loss. The distribution of various lithium loss phases along with local agglomeration of LFP and degradation of binder and carbon black are correlatively visualized. This is the first experimental exploration of chemical interplay between components in the composite electrode from a large-format battery, and implications on the LFP degradation in this battery are discussed.

Low temperature formation of higher-k cubic phase HfO{sub 2} by atomic layer deposition on GeO{sub x}/Ge structures fabricated by in-situ thermal oxidation

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

Zhang, R., E-mail: zhang@mosfet.t.u-tokyo.ac.jp; Department of Information Science and Electronic Engineering, Zhejiang University, 38 Zheda Road, Hangzhou 310027; Huang, P.-C.

2016-02-01

We have demonstrated a low temperature formation (300 °C) of higher-k HfO{sub 2} using atomic layer deposition (ALD) on an in-situ thermal oxidation GeO{sub x} interfacial layer. It is found that the cubic phase is dominant in the HfO{sub 2} film with an epitaxial-like growth behavior. The maximum permittivity of 42 is obtained for an ALD HfO{sub 2} film on a 1-nm-thick GeO{sub x} form by the in-situ thermal oxidation. It is suggested from physical analyses that the crystallization of cubic phase HfO{sub 2} can be induced by the formation of six-fold crystalline GeO{sub x} structures in the underlying GeO{sub x}more » interfacial layer.« less

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

NASA Astrophysics Data System (ADS)

Niroobakhsh, Zahra; Litman, Matthew; Belmonte, Andrew

2017-11-01

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

Compatibilization of acrylonitrile-butadiene-styrene terpolymer/poly(ethylene glycol-co-1,4-cyclohexanedimethanol terephthalate) blend: effect on morphology, interface, mechanical properties and hydrophilicity

NASA Astrophysics Data System (ADS)

Chen, Tingting; Zhang, Jun

2018-04-01

The compatibilization of acrylonitrile-butadiene-styrene terpolymer (ABS) and poly(ethylene glycol-co-1,4-cyclohexanedimethanol terephthalate) (PETG) blends was first investigated. Styrene-acrylonitrile-glycidyl methacrylate terpolymer (SAG) and ABS grafted with maleic anhydride (ABS-g-MAH) were selected as reactive compatibilizers for the ABS/PETG blends. The compatibilization effect was assessed by scanning electron microscope (SEM), differential scanning calorimetry (DSC) and mechanical properties. And the effect of compatibilizers on the hydrophilicity of the blends was evaluated as well. SEM observation and DSC analysis confirmed that both SAG and ABS-g-MAH compatibilizers could improve the compatibility between ABS and PETG, leading to an improvement in toughness of the blend. The possible cause for the improvement of compatibility was the reaction between compatibilizers and PETG, which could in situ turn out compatibilizers that acted as interfacial agents to enhance the interfacial interaction in the blend. Especially, the addition of SAG significantly decreased the dispersion phase size and the interface voids almost disappeared. Since the in situ reactions between the epoxy groups of SAG and the end groups (sbnd COOH or sbnd OH) of PETG generated PETG-co-SAG copolymer at the blend interface, and the cross-linking reactions proposed to take place between SAG and the PETG-co-SAG copolymer, acting as compatibilizer, could significantly increase the interfacial interaction. The addition of SAG also enhanced the stiffness of the blends. Moreover, the addition of SAG made the blend more hydrophilic, whereas the addition of ABS-g-MAH made the blend more hydrophobic. Therefore, SAG was a good compatibilizer for the ABS/PETG blends and could simultaneously provide the blends with toughening, stiffening and hydrophilic effects.

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

NASA Astrophysics Data System (ADS)

Kossacki, Konrad J.; Markiewicz, Wojciech J.

2010-11-01

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

Electromigration-induced drift in damascene and plasma-etched Al(Cu). II. Mass transport mechanisms in bamboo interconnects

NASA Astrophysics Data System (ADS)

Proost, Joris; Maex, Karen; Delacy, Luc

2000-01-01

We have discussed electromigration (EM)-induced drift in polycrystalline damascene versus reactive ion etched (RIE) Al(Cu) in part I. For polycrystalline Al(Cu), mass transport is well documented to occur through sequential stages : an incubation period (attributed to Cu depletion beyond a critical length) followed by the Al drift stage. In this work, the drift behavior of bamboo RIE and damascene Al(Cu) is analyzed. Using Blech-type test structures, mass transport in RIE lines was shown to proceed both by lattice and interfacial diffusion. The dominating mechanism depends on the Cu distribution in the line, as was evidenced by comparing as-patterned (lattice EM) and RTP-annealed (interface EM) samples. The interfacial EM only occurs at metallic interfaces. In that case, Cu alloying was observed to retard Al interfacial mass transport, giving rise to an incubation time. Although the activation energy for the incubation time was found similar to the one controlling Al lattice drift, for which no incubation time was observed, lattice EM is preferred over interfacial EM because it is insensitive to enhancing geometrical effects upon scaling. When comparing interfacial electromigration in RIE with bamboo damascene Al(Cu), with the incubation time rate controlling for both, the higher EM threshold observed for damascene was shown to be insufficient to compensate for its significantly increased Cu depletion rate, contrary to the case of polycrystalline Al(Cu) interconnects. Two factors were demonstrated to contribute. First, there are more metallic interfaces, intrinsically related to the use of wetting or barrier layers in recessed features. Second, specific to this study, the additional formation of TiAl3 at the trench sidewalls further enhanced the Cu depletion rate, and reduced the rate-controlling incubation time. A separate drift study on RIE via-type test structures indicated that it is very difficult to suppress interfacial mass transport in favor of lattice EM upon TiAl3 formation.

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

PubMed

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

2013-06-18

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

Strong and reversible modulation of carbon nanotube-silicon heterojunction solar cells by an interfacial oxide layer.

PubMed

Jia, Yi; Cao, Anyuan; Kang, Feiyu; Li, Peixu; Gui, Xuchun; Zhang, Luhui; Shi, Enzheng; Wei, Jinquan; Wang, Kunlin; Zhu, Hongwei; Wu, Dehai

2012-06-21

Deposition of nanostructures such as carbon nanotubes on Si wafers to make heterojunction structures is a promising route toward high efficiency solar cells with reduced cost. Here, we show a significant enhancement in the cell characteristics and power conversion efficiency by growing a silicon oxide layer at the interface between the nanotube film and Si substrate. The cell efficiency increases steadily from 0.5% without interfacial oxide to 8.8% with an optimal oxide thickness of about 1 nm. This systematic study reveals that formation of an oxide layer switches charge transport from thermionic emission to a mixture of thermionic emission and tunneling and improves overall diode properties, which are critical factors for tailoring the cell behavior. By controlled formation and removal of interfacial oxide, we demonstrate oscillation of the cell parameters between two extreme states, where the cell efficiency can be reversibly altered by a factor of 500. Our results suggest that the oxide layer plays an important role in Si-based photovoltaics, and it might be utilized to tune the cell performance in various nanostructure-Si heterojunction structures.

Solid-state dewetting of Au-Ni bi-layer films mediated through individual layer thickness and stacking sequence

NASA Astrophysics Data System (ADS)

Herz, Andreas; Theska, Felix; Rossberg, Diana; Kups, Thomas; Wang, Dong; Schaaf, Peter

2018-06-01

In the present work, the solid-state dewetting of Au-Ni bi-layer thin films deposited on SiO2/Si is systematically studied with respect to individual layer thickness and stacking sequence. For this purpose, a rapid heat treatment at medium temperatures is applied in order to examine void formation at the early stages of the dewetting. Compositional variations are realized by changing the thickness ratio of the bi-layer films, while the total thickness is maintained at 20 nm throughout the study. In the event of Au/Ni films annealed at 500 °C, crystal voids exposing the substrate are missing regardless of chemical composition. In reverse order, the number of voids per unit area in two-phase Au-Ni thin films is found to be governed by the amount of Au-rich material. At higher temperatures up to 650 °C, a decreased probability of nucleation comes at the expense of a major portion of cavities, resulting in the formation of bubbles in 15 nm Ni/5 nm Au bi-layers. Film buckling predominantly occurred at phase boundaries crossing the bubbles.

Interfacial reaction dependent performance of hollow carbon nanosphere - sulfur composite as a cathode for Li-S battery

DOE PAGES

Zheng, Jianming; Yan, Pengfei; Gu, Meng; ...

2015-05-26

Lithium-sulfur (Li-S) battery is a promising energy storage system due to its high energy density, cost effectiveness and environmental friendliness of sulfur. However, there are still a number of challenges, such as low Coulombic efficiency and poor long-term cycling stability, impeding the commercialization of Li-S battery. The electrochemical performance of Li-S battery is closely related with the interfacial reactions occurring between hosting substrate and active sulfur species which are poorly conducting at fully oxidized and reduced states. Here, we correlate the relationship between the performance and interfacial reactions in the Li-S battery system, using a hollow carbon nanosphere (HCNS) withmore » highly graphitic character as hosting substrate for sulfur. With an appropriate amount of sulfur loading, HCNS/S composite exhibits excellent electrochemical performance because of the fast interfacial reactions between HCNS and the polysulfides. However, further increase of sulfur loading leads to increased formation of highly resistive insoluble reaction products (Li 2S 2/Li 2S) which limits the reversibility of the interfacial reactions and results in poor electrochemical performance. In conclusion, these findings demonstrate the importance of the interfacial reaction reversibility in the whole electrode system on achieving high capacity and long cycle life of sulfur cathode for Li-S batteries.« less

Matrix Elasticity of Void-Forming Hydrogels Controls Transplanted Stem Cell-Mediated Bone Formation

PubMed Central

Huebsch, Nathaniel; Lippens, Evi; Lee, Kangwon; Mehta, Manav; Koshy, Sandeep T; Darnell, Max C; Desai, Rajiv; Madl, Christopher M.; Xu, Maria; Zhao, Xuanhe; Chaudhuri, Ovijit; Verbeke, Catia; Kim, Woo Seob; Alim, Karen; Mammoto, Akiko; Ingber, Donald E.; Duda, Georg N; Mooney, David J.

2015-01-01

The effectiveness of stem-cell therapies has been hampered by cell death and limited control over fate1. These problems can be partially circumvented by using macroporous biomaterials that improve the survival of transplanted stem cells and provide molecular cues to direct cell phenotype2–4. Stem cell behavior can also be controlled in vitro by manipulating the elasticity of both porous and non-porous materials5–7, yet translation to therapeutic processes in vivo remains elusive. Here, by developing injectable, void-forming hydrogels that decouple pore formation from elasticity, we show that mesenchymal stem cell (MSC) osteogenesis in vitro, and cell deployment in vitro and in vivo, can be controlled by modifying, respectively, the hydrogel's elastic modulus or its chemistry. When the hydrogels were used to transplant MSCs, the hydrogel's elasticity regulated bone regeneration, with optimal bone formation at 60 kPa. Our findings show that biophysical cues can be harnessed to direct therapeutic stem-cell behaviors in situ. PMID:26366848

Matrix elasticity of void-forming hydrogels controls transplanted-stem-cell-mediated bone formation

NASA Astrophysics Data System (ADS)

Huebsch, Nathaniel; Lippens, Evi; Lee, Kangwon; Mehta, Manav; Koshy, Sandeep T.; Darnell, Max C.; Desai, Rajiv M.; Madl, Christopher M.; Xu, Maria; Zhao, Xuanhe; Chaudhuri, Ovijit; Verbeke, Catia; Kim, Woo Seob; Alim, Karen; Mammoto, Akiko; Ingber, Donald E.; Duda, Georg N.; Mooney, David J.

2015-12-01

The effectiveness of stem cell therapies has been hampered by cell death and limited control over fate. These problems can be partially circumvented by using macroporous biomaterials that improve the survival of transplanted stem cells and provide molecular cues to direct cell phenotype. Stem cell behaviour can also be controlled in vitro by manipulating the elasticity of both porous and non-porous materials, yet translation to therapeutic processes in vivo remains elusive. Here, by developing injectable, void-forming hydrogels that decouple pore formation from elasticity, we show that mesenchymal stem cell (MSC) osteogenesis in vitro, and cell deployment in vitro and in vivo, can be controlled by modifying, respectively, the hydrogel’s elastic modulus or its chemistry. When the hydrogels were used to transplant MSCs, the hydrogel’s elasticity regulated bone regeneration, with optimal bone formation at 60 kPa. Our findings show that biophysical cues can be harnessed to direct therapeutic stem cell behaviours in situ.

Corrosion resistance of inconel 690 to borax, boric acid, and boron nitride at 1100{degrees}C

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

Imrich, K.J.

1996-12-12

Significant general and localized corrosion was observed on Inconel 690 coupons following exposure to borax, boric acid and boron nitride at 1100{degrees}C. Severe localized attack at and below the melt line was observed on coupons exposed to borax. An intergranular attack at and below the melt line was observed on coupons exposed to borax. An intergranular attack (IGA) of the Inconel 690 was also observed. Severe internal void formation and IGA (30 mils penetration after 3 days) was observed in the coupon exposed to boric acid. Both borax and boric acid remove the protective chromium oxide; however, this layer canmore » be reestablished by heating the Inconel 690 to 975 {degrees}C in air for several hours. Inconel 690 in direct contact with boron nitride resulted in the formation of a thick chromium borate layer, a general corrosion rate of 50 to 90 mils per year, and internal void formation of 1 mil per day.« less

Microstructural characterization and density change of 304 stainless steel reflector blocks after long-term irradiation in EBR-II

NASA Astrophysics Data System (ADS)

Huang, Y.; Wiezorek, J. M. K.; Garner, F. A.; Freyer, P. D.; Okita, T.; Sagisaka, M.; Isobe, Y.; Allen, T. R.

2015-10-01

While thin reactor structural components such as cladding and ducts do not experience significant gradients in dpa rate, gamma heating rate, temperature or stress, thick components can develop strong local variations in void swelling and irradiation creep in response to gradients in these variables. In this study we conducted microstructural investigations by transmission electron microscopy of two 52 mm thick 304-type stainless steel hex-blocks irradiated for 12 years in the EBR-II reactor with accumulated doses ranging from ∼0.4 to 33 dpa. Spatial variations in the populations of voids, precipitates, Frank loops and dislocation lines have been determined for 304 stainless steel sections exposed to different temperatures, different dpa levels and at different dpa rates, demonstrating the existence of spatial gradients in the resulting void swelling. The microstructural measurements compare very well with complementary density change measurements regarding void swelling gradients in the 304 stainless steel hex-block components. The TEM studies revealed that the original cold-worked-state microstructure of the unirradiated blocks was completely erased by irradiation, replaced by high densities of interstitial Frank loops, voids and carbide precipitates at both the lowest and highest doses. At large dose levels the amount of volumetric void swelling correlated directly with the gamma heating gradient-related temperature increase (e.g. for 28 dpa, ∼2% swelling at 418 °C and ∼2.9% swelling at 448 °C). Under approximately iso-thermal local conditions, volumetric void swelling was found to increase with dose level (e.g. ∼0.2% swelling at 0.4 dpa, ∼0.5% swelling at 4 dpa and ∼2% swelling at 28 dpa). Carbide precipitate formation levels were found to be relatively independent of both dpa level and temperature and induced a measurable densification. Void swelling was dominant at the higher dose levels and caused measurable decreases in density. Void swelling at the lowest doses was larger than might be expected based on the dpa level, an observation in agreement with earlier studies showing that the onset of void swelling is accelerated by decreasing dpa rates.

Effect of processing parameters on the formation of C{sub f}/LAS composites/Ag−Cu−Ti/TC4 brazed joint

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

Liu, Duo; Niu, Hongwei

C{sub f}/LAS composites were successfully jointed to TC4 alloy with Ag−Cu−Ti filler by vacuum brazing. The interfacial microstructure of TC4/C{sub f}/LAS composites joints was characterized by employing scanning electron microscope (SEM), energy dispersive spectrometer (EDS), X-diffraction (XRD) and transmission electron microscopy (TEM). The determination of the thin interfacial reaction layer (TiSi{sub 2} + TiC layer) was realized by TEM. The effect of holding time on the interfacial microstructure and shear strength were investigated. With the increasing holding time, the thickness of diffusion layer, Ti{sub 3}Cu{sub 4} layer, and TiSi{sub 2} + TiC layer increased obviously, on the contrary, that ofmore » Ti−Cu intermetallic compound layers decreased gradually. Besides, blocky Ti{sub 3}Cu{sub 4} phase was coarsened when the joint was brazed at 890 °C for 20 min, which deteriorated the mechanical properties of the joint dramatically. The interfacial evolution of TC4/C{sub f}/LAS composites joint and the formation of TiSi{sub 2}, TiC, Ti{sub 3}Cu{sub 4}, TiCu and Ti{sub 2}Cu phases were expounded. The maximum shear strength of 26.4 MPa was obtained when brazed at 890 °C for 10 min. - Highlights: •The thin interface reaction layer was determined to be TiSi{sub 2} + TiC layer by TEM. •Holding time had influence on the interfacial microstructure and joint properties. •Microstructural evolution mechanism and reactions of brazed joints were expounded.« less

Determination of the Si-conducting polymer interfacial properties using A-C impedance techniques

NASA Technical Reports Server (NTRS)

Nagasubramanian, G.; Di Stefano, Salvador; Moacanin, Jovan

1985-01-01

A study was made of the interfacial properties of poly(pyrrole) (PP) deposited electrochemically onto single crystal p-Si surfaces. The interfacial properties are dependent upon the counterions. The formation of 'quasi-ohmic' and 'nonohmic' contacts, respectively, of PP(ClO4) and PP films doped with other counterions (BF4 and para-toluene sulfonate) with p-Si, are explained in terms of the conductivity of these films and the flat band potential, V(fb), of PP relative to that of p-Si. The PP film seems to passivate or block intrinsic surface states present on the p-Si surface. The differences in the impedance behavior of para-toluene sulfonate doped and ClO4 doped PP are compared.

The inhibition of methane hydrate formation by water alignment underneath surface adsorption of surfactants

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

Nguyen, Ngoc N.; Nguyen, Anh V.; Dang, Liem X.

Sodium dodecyl sulfate (SDS) has been widely shown to strongly promote the formation of methane hydrate. Here we show that SDS displays an extraordinary inhibition effect on methane hydrate formation when the surfactant is used in sub-millimolar concentration (around 0.3 mM). We have also employed Sum Frequency Generation vibrational spectroscopy (SFG) and molecular dynamics simulation (MDS) to elucidate the molecular mechanism of this inhibition. The SFG and MDS results revealed a strong alignment of water molecules underneath surface adsorption of SDS in its sub-millimolar solution. Interestingly, both the alignment of water and the inhibition effect (in 0.3 mM SDS solution)more » went vanishing when an oppositely-charged surfactant (tetra-n-butylammonium bromide, TBAB) was suitably added to produce a mixed solution of 0.3 mM SDS and 3.6 mM TBAB. Combining structural and kinetic results, we pointed out that the alignment of water underneath surface adsorption of dodecyl sulfate (DS-) anions gave rise to the unexpected inhibition of methane hydration formation in sub-millimolar solution of SDS. The adoption of TBAB mitigated the SDS-induced electrostatic field at the solution’s surface and, therefore, weakened the alignment of interfacial water which, in turn, erased the inhibition effect. We discussed this finding using the concept of activation energy of the interfacial formation of gas hydrate. The main finding of this work is to reveal the interplay of interfacial water in governing gas hydrate formation which sheds light on a universal molecular-scale understanding of the influence of surfactants on gas hydrate formation. This work was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences. The calculations were carried out using computer resources provided by the Office of Basic Energy Sciences.« less

Comparison of the agglomeration behavior of thin metallic films on SiO2

NASA Astrophysics Data System (ADS)

Gadkari, P. R.; Warren, A. P.; Todi, R. M.; Petrova, R. V.; Coffey, K. R.

2005-07-01

The stability of continuous metallic thin films on insulating oxide surfaces is of interest to applications such as semiconductor interconnections and gate engineering. In this work, we report the study of the formation of voids and agglomeration of initially continuous Cu, Au, Ru and Pt thin films deposited on amorphous thermally grown SiO2 surfaces. Polycrystalline thin films having thicknesses in the range of 10-100 nm were ultrahigh vacuum sputter deposited on thermally grown SiO2 surfaces. The films were annealed at temperatures in the range of 150-800 °C in argon and argon+3% hydrogen gases. Scanning electron microscopy was used to investigate the agglomeration behavior, and transmission electron microscopy was used to characterize the microstructure of the as-deposited and annealed films. The agglomeration sequence in all of the films is found to follow a two step process of void nucleation and void growth. However, void growth in Au and Pt thin films is different from Cu and Ru thin films. Residual stress and adhesion were observed to play an important part in deciding the mode of void growth in Au and Pt thin films. Last, it is also observed that the tendency for agglomeration can be reduced by encapsulating the metal film with an oxide overlayer.

Metal-Organic Framework-Stabilized CO2/Water Interfacial Route for Photocatalytic CO2 Conversion.

PubMed

Luo, Tian; Zhang, Jianling; Li, Wei; He, Zhenhong; Sun, Xiaofu; Shi, Jinbiao; Shao, Dan; Zhang, Bingxing; Tan, Xiuniang; Han, Buxing

2017-11-29

Here, we propose a CO 2 /water interfacial route for photocatalytic CO 2 conversion by utilizing a metal-organic framework (MOF) as both an emulsifier and a catalyst. The CO 2 reduction occurring at the CO 2 /water interface produces formate with remarkably enhanced efficiency as compared with that in conventional solvent. The route is efficient, facile, adjustable, and environmentally benign, which is applicable for the CO 2 transformation photocatalyzed by different kinds of MOFs.

Drops and Bubble in Materials Science

NASA Technical Reports Server (NTRS)

Doremus, R. H.

1982-01-01

The formation of extended p-n junctions in semiconductors by drop migration, mechanisms and morphologies of migrating drops and bubbles in solids and nucleation and corrections to the Volmer-Weber equations are discussed. Bubble shrinkage in the processing of glass, the formation of glass microshells as laser-fusion targets, and radiation-induced voids in nuclear reactors were examined.

Distribution, formation mechanisms, and significance of lunar pits

NASA Astrophysics Data System (ADS)

Wagner, Robert V.; Robinson, Mark S.

2014-07-01

Lunar Reconnaissance Orbiter Camera images reveal the presence of steep-walled pits in mare basalt (n = 8), impact melt deposits (n = 221), and highland terrain (n = 2). Pits represent evidence of subsurface voids of unknown extents. By analogy with terrestrial counterparts, the voids associated with mare pits may extend for hundreds of meters to kilometers in length, thereby providing extensive potential habitats and access to subsurface geology. Because of their small sizes relative to the local equilibrium crater diameters, the mare pits are likely to be post-flow features rather than volcanic skylights. The impact melt pits are indirect evidence both of extensive subsurface movement of impact melt and of exploitable sublunarean voids. Due to the small sizes of pits (mare, highland, and impact melt) and the absolute ages of their host materials, it is likely that most pits formed as secondary features.

Ordered mesoporous silica prepared by quiescent interfacial growth method - effects of reaction chemistry

PubMed Central

2013-01-01

Acidic interfacial growth can provide a number of industrially important mesoporous silica morphologies including fibers, spheres, and other rich shapes. Studying the reaction chemistry under quiescent (no mixing) conditions is important for understanding and for the production of the desired shapes. The focus of this work is to understand the effect of a number of previously untested conditions: acid type (HCl, HNO3, and H2SO4), acid content, silica precursor type (TBOS and TEOS), and surfactant type (CTAB, Tween 20, and Tween 80) on the shape and structure of products formed under quiescent two-phase interfacial configuration. Results show that the quiescent growth is typically slow due to the absence of mixing. The whole process of product formation and pore structuring becomes limited by the slow interfacial diffusion of silica source. TBOS-CTAB-HCl was the typical combination to produce fibers with high order in the interfacial region. The use of other acids (HNO3 and H2SO4), a less hydrophobic silica source (TEOS), and/or a neutral surfactant (Tweens) facilitate diffusion and homogenous supply of silica source into the bulk phase and give spheres and gyroids with low mesoporous order. The results suggest two distinct regions for silica growth (interfacial region and bulk region) in which the rate of solvent evaporation and local concentration affect the speed and dimension of growth. A combined mechanism for the interfacial bulk growth of mesoporous silica under quiescent conditions is proposed. PMID:24237719

Microstructural Evolution of Ni-Sn Transient Liquid Phase Sintering Bond during High-Temperature Aging

NASA Astrophysics Data System (ADS)

Feng, Hongliang; Huang, Jihua; Peng, Xianwen; Lv, Zhiwei; Wang, Yue; Yang, Jian; Chen, Shuhai; Zhao, Xingke

2018-05-01

For high-temperature-resistant packaging of new generation power chip, a chip packaging simulation structure of Ni/Ni-Sn/Ni was bonded by a transient liquid-phase sintering process. High-temperature aging experiments were carried out to investigate joint heat stability. The microstructural evolution and mechanism during aging, and mechanical properties after aging were analyzed. The results show that the 30Ni-70Sn bonding layer as-bonded at 340°C for 240 min is mainly composed of Ni3Sn4 and residual Ni particles. When aged at 350°C, because of the difficulty of nucleation for Ni3Sn and quite slow growth of Ni3Sn2, the bonding layer is stable and the strength of that doesn't change obviously with aging time. When aging temperature increased to 500°C, however, the residual Ni particles were gradually dissolved and the bonding layer formed a stable structure with dominated Ni3Sn2 after 36 h. Meanwhile, due to the volume shrinkage (4.43%) from Ni3Sn2 formation, a number of voids were formed. The shear strength shows an increase, resulting from Ni3Sn2 formation, but then it decreases slightly caused by voids. After aging at 500°C for 100 h, shear strength is still maintained at 29.6 MPa. In addition, the mechanism of void formation was analyzed and microstructural evolution model was also established.

Acute bacterial prostatitis and abscess formation.

PubMed

Lee, Dong Sup; Choe, Hyun-Sop; Kim, Hee Youn; Kim, Sun Wook; Bae, Sang Rak; Yoon, Byung Il; Lee, Seung-Ju

2016-07-07

The purpose of this study was to identify risk factors for abscess formation in acute bacterial prostatitis, and to compare treatment outcomes between abscess group and non-abscess group. This is a multicenter, retrospective cohort study. All patients suspected of having an acute prostatic infection underwent computed tomography or transrectal ultrasonography to discriminate acute prostatic abscesses from acute prostatitis without abscess formation. A total of 31 prostate abscesses were reviewed among 142 patients with acute prostatitis. Univariate analysis revealed that symptom duration, diabetes mellitus and voiding disturbance were predisposing factors for abscess formation in acute prostatitis. However, diabetes mellitus was not related to prostate abscess in multivariate analysis. Patients with abscesses <20 mm in size did not undergo surgery and were cured without any complications. In contrast, patients with abscesses >20 mm who underwent transurethral resection had a shorter duration of antibiotic treatment than did those who did not have surgery. Regardless of surgical treatment, both the length of hospital stay and antibiotic treatment were longer in patients with prostatic abscesses than they were in those without abscesses. However, the incidence of septic shock was not different between the two groups. A wide spectrum of microorganisms was responsible for prostate abscesses. In contrast, Escherichia coli was the predominant organism responsible for acute prostatitis without abscess. Imaging studies should be considered when patients with acute prostatitis have delayed treatment and signs of voiding disturbance. Early diagnosis is beneficial because prostatic abscesses require prolonged treatment protocols, or even require surgical drainage. Surgical drainage procedures such as transurethral resection of the prostate were not necessary in all patients with prostate abscesses. However, surgical intervention may have potential merits that reduce the antibiotic exposure period and enhance voiding function in patients with prostatic abscess.

Formation of the Sun-aligned arc region and the void (polar slot) under the null-separator structure

NASA Astrophysics Data System (ADS)

Tanaka, T.; Obara, T.; Watanabe, M.; Fujita, S.; Ebihara, Y.; Kataoka, R.

2017-04-01

From the global magnetosphere-ionosphere coupling simulation, we examined the formation of the Sun-aligned arc region and the void (polar slot) under the northward interplanetary magnetic field (IMF) with negative By condition. In the magnetospheric null-separator structure, the separatrices generated from two null points and two separators divide the entire space into four types of magnetic region, i.e., the IMF, the northern open magnetic field, the southern open magnetic field, and the closed magnetic field. In the ionosphere, the Sun-aligned arc region and the void are reproduced in the distributions of simulated plasma pressure and field-aligned current. The outermost closed magnetic field lines on the boundary (separatrix) between the northern open magnetic field and the closed magnetic field are projected to the northern ionosphere at the boundary between the Sun-aligned arc region and the void, both on the morning and evening sides. The magnetic field lines at the plasma sheet inner edge are projected to the equatorward boundary of the oval. Therefore, the Sun-aligned arc region is on the closed magnetic field lines of the plasma sheet. In the plasma sheet, an inflated structure (bulge) is generated at the junction of the tilted plasma sheet in the far-to-middle tail and nontilted plasma sheet in the ring current region. In the Northern Hemisphere, the bulge is on the evening side wrapped by the outermost closed magnetic field lines that are connected to the northern evening ionosphere. This inflated structure (bulge) is associated with shear flows that cause the Sun-aligned arc.

Trpm7 Protein Contributes to Intercellular Junction Formation in Mouse Urothelium*

PubMed Central

Watanabe, Masaki; Suzuki, Yoshiro; Uchida, Kunitoshi; Miyazaki, Naoyuki; Murata, Kazuyoshi; Matsumoto, Seiji; Kakizaki, Hidehiro; Tominaga, Makoto

2015-01-01

Trpm7 is a divalent cation-permeable channel that has been reported to be involved in magnesium homeostasis as well as cellular adhesion and migration. We generated urothelium-specific Trpm7 knock-out (KO) mice to reveal the function of Trpm7 in vivo. A Trpm7 KO was induced by tamoxifen and was confirmed by genomic PCR and immunohistochemistry. By using patch clamp recordings in primary urothelial cells, we observed that Mg2+-inhibitable cation currents as well as acid-inducible currents were significantly smaller in Trpm7 KO urothelial cells than in cells from control mice. Assessment of voiding behavior indicated a significantly smaller voided volume in Trpm7 KO mice (mean voided volume 0.28 ± 0.08 g in KO mice and 0.36 ± 0.04 g in control mice, p < 0.05, n = 6–8). Histological analysis showed partial but substantial edema in the submucosal layer of Trpm7 KO mice, most likely due to inflammation. The expression of proinflammatory cytokines TNF-α and IL-1β was significantly higher in Trpm7 KO bladders than in controls. In transmission electron microscopic analysis, immature intercellular junctions were observed in Trpm7 KO urothelium but not in control mice. These results suggest that Trpm7 is involved in the formation of intercellular junctions in mouse urothelium. Immature intercellular junctions in Trpm7 knock-out mice might lead to a disruption of barrier function resulting in inflammation and hypersensitive bladder afferent nerves that may affect voiding behavior in vivo. PMID:26504086

Trpm7 Protein Contributes to Intercellular Junction Formation in Mouse Urothelium.

PubMed

Watanabe, Masaki; Suzuki, Yoshiro; Uchida, Kunitoshi; Miyazaki, Naoyuki; Murata, Kazuyoshi; Matsumoto, Seiji; Kakizaki, Hidehiro; Tominaga, Makoto

2015-12-11

Trpm7 is a divalent cation-permeable channel that has been reported to be involved in magnesium homeostasis as well as cellular adhesion and migration. We generated urothelium-specific Trpm7 knock-out (KO) mice to reveal the function of Trpm7 in vivo. A Trpm7 KO was induced by tamoxifen and was confirmed by genomic PCR and immunohistochemistry. By using patch clamp recordings in primary urothelial cells, we observed that Mg(2+)-inhibitable cation currents as well as acid-inducible currents were significantly smaller in Trpm7 KO urothelial cells than in cells from control mice. Assessment of voiding behavior indicated a significantly smaller voided volume in Trpm7 KO mice (mean voided volume 0.28 ± 0.08 g in KO mice and 0.36 ± 0.04 g in control mice, p < 0.05, n = 6-8). Histological analysis showed partial but substantial edema in the submucosal layer of Trpm7 KO mice, most likely due to inflammation. The expression of proinflammatory cytokines TNF-α and IL-1β was significantly higher in Trpm7 KO bladders than in controls. In transmission electron microscopic analysis, immature intercellular junctions were observed in Trpm7 KO urothelium but not in control mice. These results suggest that Trpm7 is involved in the formation of intercellular junctions in mouse urothelium. Immature intercellular junctions in Trpm7 knock-out mice might lead to a disruption of barrier function resulting in inflammation and hypersensitive bladder afferent nerves that may affect voiding behavior in vivo. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

Key Durability Issues with Mullite-Based Environmental Barrier Coatings for Si-Based Ceramics

NASA Technical Reports Server (NTRS)

Lee, Kang N.

1999-01-01

Plasma-sprayed mullite (3Al2O3 central dot 2SiO2) and mullite/yttria-stabilized-zirconia (YSZ) dual layer coatings have been developed to protect silicon-based ceramics from environmental attack. Mullite-based coating systems show excellent durability in air. However, in combustion environments, corrosive species such as molten salt or water vapor penetrate through cracks in the coating and attack the Si-based ceramics along the interface, Thus modification of the coating system for enhanced crack-resistance is necessary for long-term durability in combustion environments. Other key durability issues include interfacial contamination and coating/substrate bonding. Interfacial contamination leads to enhanced oxidation and interfacial pore formation, while weak coating/substrate bonding leads to rapid attack of the interface by corrosive species, both of which can cause premature failure of the coating. Interfacial contamination can be minimized by limiting impurities in coating and substrate materials. The interface may be modified to improve the coating/substrate bond.

Key Durability Issues with Mullite-Based Environmental Barrier Coatings for Si-Based Ceramics

NASA Technical Reports Server (NTRS)

Lee, Kang N.

2000-01-01

Plasma-sprayed mullite (3Al2O3.2SiO2) and mullite/yttria-stabilized-zirconia (YSZ) dual layer coatings have been developed to protect silicon -based ceramics from environmental attack. Mullite-based coating systems show excellent durability in air. However, in combustion environments, corrosive species such as molten salt or water vapor penetrate through cracks in the coating and attack the Si-based ceramics along the interface. Thus the modification of the coating system for enhanced crack-resistance is necessary for long-term durability in combustion environments. Other key durability issues include interfacial contamination and coating/substrate bonding. Interfacial contamination leads to enhanced oxidation and interfacial pore formation, while a weak coating/substrate bonding leads to rapid attack of the interface by corrosive species, both of which can cause a premature failure of the coating. Interfacial contamination can be minimized by limiting impurities in coating and substrate materials. The interface may be modified to improve the coating/substrate bond.

Understanding the interfacial behavior of lysozyme on Au (111) surfaces with multiscale simulations

NASA Astrophysics Data System (ADS)

Samieegohar, Mohammadreza; Ma, Heng; Sha, Feng; Jahan Sajib, Md Symon; Guerrero-García, G. Iván; Wei, Tao

2017-02-01

The understanding of the adsorption and interfacial behavior of proteins is crucial to the development of novel biosensors and biomaterials. By using bottom-up atomistic multiscale simulations, we study here the adsorption of lysozyme on Au(111) surfaces in an aqueous environment. Atomistic simulations are used to calculate the inhomogeneous polarization of the gold surface, which is induced by the protein adsorption, and by the presence of an interfacial layer of water molecules and monovalent salts. The corresponding potential of mean force between the protein and the gold surface including polarization effects is used in Langevin Dynamics simulations to study the time dependent behavior of proteins at finite concentration. These simulations display a rapid adsorption and formation of a first-layer of proteins at the interface. Proteins are initially adsorbed directly on the gold surface due to the strong protein-surface attractive interaction. A subsequent interfacial weak aggregation of proteins leading to multilayer build-up is also observed at long times.

Improved interfacial and electrical properties of GaAs metal-oxide-semiconductor capacitors with HfTiON as gate dielectric and TaON as passivation interlayer

NASA Astrophysics Data System (ADS)

Wang, L. S.; Xu, J. P.; Zhu, S. Y.; Huang, Y.; Lai, P. T.

2013-08-01

The interfacial and electrical properties of sputtered HfTiON on sulfur-passivated GaAs with or without TaON as interfacial passivation layer (IPL) are investigated. Experimental results show that the GaAs metal-oxide-semiconductor capacitor with HfTiON/TaON stacked gate dielectric annealed at 600 °C exhibits low interface-state density (1.0 × 1012 cm-2 eV-1), small gate leakage current (7.3 × 10-5 A cm-2 at Vg = Vfb + 1 V), small capacitance equivalent thickness (1.65 nm), and large equivalent dielectric constant (26.2). The involved mechanisms lie in the fact that the TaON IPL can effectively block the diffusions of Hf, Ti, and O towards GaAs surface and suppress the formation of interfacial As-As bonds, Ga-/As-oxides, thus unpinning the Femi level at the TaON/GaAs interface and improving the interface quality and electrical properties of the device.

Thermal Transport at Solid-Liquid Interfaces: High Pressure Facilitates Heat Flow through Nonlocal Liquid Structuring.

PubMed

Han, Haoxue; Mérabia, Samy; Müller-Plathe, Florian

2017-05-04

The integration of three-dimensional microelectronics is hampered by overheating issues inherent to state-of-the-art integrated circuits. Fundamental understanding of heat transfer across soft-solid interfaces is important for developing efficient heat dissipation capabilities. At the microscopic scale, the formation of a dense liquid layer at the solid-liquid interface decreases the interfacial heat resistance. We show through molecular dynamics simulations of n-perfluorohexane on a generic wettable surface that enhancement of the liquid structure beyond a single adsorbed layer drastically enhances interfacial heat conductance. Pressure is used to control the extent of the liquid layer structure. The interfacial thermal conductance increases with pressure values up to 16.2 MPa at room temperature. Furthermore, it is shown that liquid structuring enhances the heat-transfer rate of high-energy lattice waves by broadening the transmission peaks in the heat flux spectrum. Our results show that pressure is an important external parameter that may be used to control interfacial heat conductance at solid-soft interfaces.

Formation of large-scale structure from cosmic strings and massive neutrinos

NASA Technical Reports Server (NTRS)

Scherrer, Robert J.; Melott, Adrian L.; Bertschinger, Edmund

1989-01-01

Numerical simulations of large-scale structure formation from cosmic strings and massive neutrinos are described. The linear power spectrum in this model resembles the cold-dark-matter power spectrum. Galaxy formation begins early, and the final distribution consists of isolated density peaks embedded in a smooth background, leading to a natural bias in the distribution of luminous matter. The distribution of clustered matter has a filamentary appearance with large voids.

Preparation of hybrid thiol-acrylate emulsion-templated porous polymers by interfacial copolymerization of high internal phase emulsions.

PubMed

Langford, Caitlin R; Johnson, David W; Cameron, Neil R

2015-05-01

Emulsion-templated highly porous polymers (polyHIPEs), containing distinct regions differing in composition, morphology, and/or properties, are prepared by the simultaneous polymerization of two high internal phase emulsions (HIPEs) contained within the same mould. The HIPEs are placed together in the mould and subjected to thiol-acrylate photopolymerization. The resulting polyHIPE material is found to contain two distinct semicircular regions, reflecting the composition of each HIPE. The original interface between the two emulsions becomes a copolymerized band between 100 and 300 μm wide, which is found to be mechanically robust. The separate polyHIPE layers are distinguished from one another by their differing average void diameter, chemical composition, and extent of contraction upon drying. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Corrigendum to 'On the influence of microstructure on the fracture behaviour of hot extruded ferritic ODS steels' [J. Nucl. Mater. 497 (2017) 60-75

NASA Astrophysics Data System (ADS)

Das, A.; Viehrig, H. W.; Altstadt, E.; Heintze, C.; Hoffmann, J.

2018-02-01

ODS steels are known to show inferior fracture properties as compared to ferritic martensitic non-ODS steels. Hot extruded 13Cr ODS steel however, showed excellent fracture toughness at a temperature range from room temperature to 400 °C. In this work, the factors which resulted in superior and anisotropic fracture behaviour were investigated by comparing different orientations of two hot extruded materials using scanning electron, electron backscatter and transmission electron microscopy. Fracture behaviour of the two materials was compared using unloading compliance fracture toughness tests. Anisotropic fracture toughness was predominantly influenced by grain morphology. Superior fracture toughness in 13Cr ODS-KIT was predominantly influenced by factors such as smaller void inducing particle size and higher sub-micron particle-matrix interfacial strength.

In-Situ Quantification of the Interfacial Rheological Response of Bacterial Biofilms to Environmental Stimuli

PubMed Central

Rühs, Patrick A.; Böni, Lukas; Fuller, Gerald G.; Inglis, R. Fredrik; Fischer, Peter

2013-01-01

Understanding the numerous factors that can affect biofilm formation and stability remain poorly understood. One of the major limitations is the accurate measurement of biofilm stability and cohesiveness in real-time when exposed to changing environmental conditions. Here we present a novel method to measure biofilm strength: interfacial rheology. By culturing a range of bacterial biofilms on an air-liquid interface we were able to measure their viscoelastic growth profile during and after biofilm formation and subsequently alter growth conditions by adding surfactants or changing the nutrient composition of the growth medium. We found that different bacterial species had unique viscoelastic growth profiles, which was also highly dependent on the growth media used. We also found that we could reduce biofilm formation by the addition of surfactants or changing the pH, thereby altering the viscoelastic properties of the biofilm. Using this technique we were able to monitor changes in viscosity, elasticity and surface tension online, under constant and varying environmental conditions, thereby providing a complementary method to better understand the dynamics of both biofilm formation and dispersal. PMID:24244319

Interfacial dynamic surface traps of lead sulfide (PbS) nanocrystals: test-platform for interfacial charge carrier traps at the organic/inorganic functional interface

NASA Astrophysics Data System (ADS)

Kim, Youngjun; Ko, Hyungduk; Park, Byoungnam

2018-04-01

Nanocrystal (NC) size and ligand dependent dynamic trap formation of lead sulfide (PbS) NCs in contact with an organic semiconductor were investigated using a pentacene/PbS field effect transistor (FET). We used a bilayer pentacene/PbS FET to extract information of the surface traps of PbS NCs at the pentacene/PbS interface through the field effect-induced charge carrier density measurement in the threshold and subthreshold regions. PbS size and ligand dependent trap properties were elucidated by the time domain and threshold voltage measurements in which threshold voltage shift occurs by carrier charging and discharging in the trap states of PbS NCs. The observed threshold voltage shift is interpreted in context of electron trapping through dynamic trap formation associated with PbS NCs. To the best of our knowledge, this is the first demonstration of the presence of interfacial dynamic trap density of PbS NC in contact with an organic semiconductor (pentacene). We found that the dynamic trap density of the PbS NC is size dependent and the carrier residence time in the specific trap sites is more sensitive to NC size variation than to NC ligand exchange. The probing method presented in the study offers a means to investigate the interfacial surface traps at the organic-inorganic hetero-junction, otherwise understanding of the buried surface traps at the functional interface would be elusive.

Terahertz absorption of lysozyme in solution

NASA Astrophysics Data System (ADS)

Martin, Daniel R.; Matyushov, Dmitry V.

2017-08-01

Absorption of radiation by solution is described by its frequency-dependent dielectric function and can be viewed as a specific application of the dielectric theory of solutions. For ideal solutions, the dielectric boundary-value problem separates the polar response into the polarization of the void in the liquid, created by the solute, and the response of the solute dipole. In the case of a protein as a solute, protein nuclear dynamics do not project on significant fluctuations of the dipole moment in the terahertz domain of frequencies and the protein dipole can be viewed as dynamically frozen. Absorption of radiation then reflects the interfacial polarization. Here we apply an analytical theory and computer simulations to absorption of radiation by an ideal solution of lysozyme. Comparison with the experiment shows that Maxwell electrostatics fails to describe the polarization of the protein-water interface and the "Lorentz void," which does not anticipate polarization of the interface by the external field (no surface charges), better represents the data. An analytical theory for the slope of the solution absorption against the volume fraction of the solute is formulated in terms of the cavity field response function. It is calculated from molecular dynamics simulations in good agreement with the experiment. The protein hydration shell emerges as a separate sub-ensemble, which, collectively, is not described by the standard electrostatics of dielectrics.

Concrete Infill Monitoring in Concrete-Filled FRP Tubes Using a PZT-Based Ultrasonic Time-of-Flight Method.

PubMed

Luo, Mingzhang; Li, Weijie; Hei, Chuang; Song, Gangbing

2016-12-07

Concrete-filled fiber-reinforced polymer tubes (CFFTs) have attracted interest for their structural applications in corrosive environments. However, a weak interfacial strength between the fiber-reinforced polymer (FRP) tube and the concrete infill may develop due to concrete shrinkage and inadequate concrete compaction during concrete casting, which will destroy the confinement effect and thereby reduce the load bearing capacity of a CFFT. In this paper, the lead zirconate titanate (PZT)-based ultrasonic time-of-flight (TOF) method was adopted to assess the concrete infill condition of CFFTs. The basic idea of this method is that the velocity of the ultrasonic wave propagation in the FRP material is about half of that in concrete material. Any voids or debonding created along the interface between the FRP tube and the concrete will delay the arrival time between the pairs of PZT transducers. A comparison of the arrival times of the PZT pairs between the intact and the defected CFFT was made to assess the severity of the voids or the debonding. The feasibility of the methodology was analyzed using a finite-difference time-domain-based numerical simulation. Experiments were setup to validate the numerical results, which showed good agreement with the numerical findings. The results showed that the ultrasonic time-of-flight method is able to detect the concrete infill condition of CFFTs.

Concrete Infill Monitoring in Concrete-Filled FRP Tubes Using a PZT-Based Ultrasonic Time-of-Flight Method

PubMed Central

Luo, Mingzhang; Li, Weijie; Hei, Chuang; Song, Gangbing

2016-01-01

Concrete-filled fiber-reinforced polymer tubes (CFFTs) have attracted interest for their structural applications in corrosive environments. However, a weak interfacial strength between the fiber-reinforced polymer (FRP) tube and the concrete infill may develop due to concrete shrinkage and inadequate concrete compaction during concrete casting, which will destroy the confinement effect and thereby reduce the load bearing capacity of a CFFT. In this paper, the lead zirconate titanate (PZT)-based ultrasonic time-of-flight (TOF) method was adopted to assess the concrete infill condition of CFFTs. The basic idea of this method is that the velocity of the ultrasonic wave propagation in the FRP material is about half of that in concrete material. Any voids or debonding created along the interface between the FRP tube and the concrete will delay the arrival time between the pairs of PZT transducers. A comparison of the arrival times of the PZT pairs between the intact and the defected CFFT was made to assess the severity of the voids or the debonding. The feasibility of the methodology was analyzed using a finite-difference time-domain-based numerical simulation. Experiments were setup to validate the numerical results, which showed good agreement with the numerical findings. The results showed that the ultrasonic time-of-flight method is able to detect the concrete infill condition of CFFTs. PMID:27941617

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

NASA Astrophysics Data System (ADS)

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

2017-09-01

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

Effects of Ag addition on solid–state interfacial reactions between Sn–Ag–Cu solder and Cu substrate

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

Yang, Ming

Low–Ag–content Sn–Ag–Cu (SAC) solders have attracted much recent attention in electronic packaging for their low cost. To reasonably reduce the Ag content in Pb–free solders, a deep understanding of the basic influence of Ag on the SAC solder/Cu substrate interfacial reaction is essential. Previous studies have discussed the influence of Ag on the interfacial intermetallic compound (IMC) thickness. However, because IMC growth is the joint result of multiple factors, such characterizations do not reveal the actual role of Ag. In this study, changes in interfacial IMCs after Ag introduction were systemically and quantitatively characterized in terms of coarsening behaviors, orientationmore » evolution, and growth kinetics. The results show that Ag in the solder alloy affects the coarsening behavior, accelerates the orientation concentration, and inhibits the growth of interfacial IMCs during solid–state aging. The inhibition mechanism was quantitatively discussed considering the individual diffusion behaviors of Cu and Sn atoms, revealing that Ag inhibits interfacial IMC growth primarily by slowing the diffusion of Cu atoms through the interface. - Highlights: •Role of Ag in IMC formation during Sn–Ag–Cu soldering was investigated. •Ag affects coarsening, crystallographic orientation, and IMC growth. •Diffusion pathways of Sn and Cu are affected differently by Ag. •Ag slows Cu diffusion to inhibit IMC growth at solder/substrate interface.« less

Interfacial Surface Modification via Nanoimprinting to Increase Open-Circuit Voltage of Organic Solar Cells

NASA Astrophysics Data System (ADS)

Emah, Joseph B.; George, Nyakno J.; Akpan, Usenobong B.

2017-08-01

The low-cost patterning of poly(3,4-ethylenedioxythiophene) poly(4-styrenesulfonate) (PEDOT:PSS) interfacial layers inserted between indium tin oxide and poly(3-hexylthiophene-2,5-diyl):[6,6]-phenyl-C61-butyric acid ester blends leads to an improvement in organic photovoltaics (OPV) device performance. Significantly, improvements in all device parameters, including the open-circuit voltage, are achieved. The nanoimprinted devices improved further as the pattern period and imprinting depth was reduced from 727 nm and 42 nm to 340 nm and 10 nm, respectively. A residue of poly(dimethylsiloxane) (PDMS) is found on the interfacial PEDOT:PSS film following patterning and can be used to explain the increase in OPV performance. Ultraviolet photoelectron spectroscopy measurements of the PEDOT:PSS interfacial layer demonstrated a reduction of the work function of 0.4 eV following nanoimprinting which may originate from chemical modification of the PDMS residue or interfacial dipole formation supported by x-ray photoelectron spectroscopy analysis. Ultimately, we have demonstrated a 39% improvement in OPV device performance via a simple low-cost modification of the anode interfacial layer. This improvement can be assigned to two effects resulting from a PDMS residue on the PEDOT:PSS surface: (1) the reduction of the anode work function which in turn decreases the hole extraction barrier, and (2) the reduction of electron transfer from the highest occupied molecular orbital of PCBM to the anode.

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

Huang, Bin, E-mail: huangbin@nwpu.edu.cn; Li, Maohua; Chen, Yanxia

The interfacial reactions of continuous SiC fiber reinforced Ti-6Al-4V matrix composite (SiC{sub f}/Ti-6Al-4V composite) and continuous SiC fiber coated by C reinforced Ti-6Al-4V matrix composite (SiC{sub f}/C/Ti-6Al-4V composite) were investigated by using micro-beam electron diffraction (MBED) and energy disperse spectroscopy (EDS) on transmission electron microscopy (TEM). The sequence of the interfacial reactions in the as-processed and exposed at 900°C for 50h SiC{sub f}/Ti-6Al-4V composites can be described as SiC||TiC||Ti{sub 5}Si{sub 3} + TiC||Ti-6Al-4V and SiC||TiC||Ti{sub 5}Si{sub 3}||TiC||Ti{sub 5}Si{sub 3}||TiC||Ti{sub 5}Si{sub 3}||Ti-6Al-4V, respectively. Additionally, both in as-processed and exposed composites, Ti{sub 3}SiC{sub 2} and Ti{sub 3}Si are absent at the interfaces.more » For the SiC{sub f}/C/Ti-6Al-4V composite exposed at 900 °C for 50 h, the sequence of the interfacial reaction can be described as SiC||C||TiC{sub F}||TiC{sub C}||Ti-6Al-4V before C coating is completely consumed by interfacial reaction. When interfacial reaction consumes C coating completely, the sequence of the interfacial reaction can be described as SiC||TiC||Ti{sub 5}Si{sub 3}||TiC||Ti-6Al-4V. Furthermore, in SiC{sub f}/C/Ti-6Al-4V composite, C coating can absolutely prevent Si diffusion from SiC fiber to matrix. Basing on these results, the model of formation process of the interfacial reaction products in the composites was proposed. - Highlights: • We obtained the sequence of the interfacial reactions in the as-processed and exposed at 900 °C for 50 h SiC{sub f}/Ti-6Al-4 V composites as well as in the SiC{sub f}/C/Ti-6Al-4 V composite exposed at 900 °C for 50 h. • We verified that both in as-processed and exposed SiC{sub f}/Ti-6Al-4 V composites, Ti{sub 3}SiC{sub 2} and Ti{sub 3}Si are absent at the interfaces. • Carbon coating can absolutely prevent silicon diffusion from SiC fiber to matrix. • Basing on these results, the model of formation process of the interfacial reaction products in the composites was proposed.« less

Instability mechanisms in microfluidics and nanomaterials

NASA Astrophysics Data System (ADS)

Thamida, Sunil Kumar

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

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

Bhattacharya, Arunodaya; Meslin, Estelle; Henry, Jean

Effect of helium on void swelling was studied in high-purity α-iron, irradiated using energetic self-ions to 157 displacements per atom (dpa) at 773 K, with and without helium co-implantation up to 17 atomic parts-per-million (appm) He/dpa. Helium is known to enhance cavity formation in metals in irradiation environments, leading to early void swelling onset. In this study, microstructure characterization by transmission electron microscopy revealed compelling evidence of dramatic swelling reduction by helium co-implantation, achieved primarily by cavity size reduction. In conclusion, a comprehensive understanding of helium induced cavity microstructure development is discussed using sink strength ratios of dislocations and cavities.

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.

Towards the damage evaluation using Gurson-Tvergaard-Needleman (GTN) model for hot forming processes

NASA Astrophysics Data System (ADS)

Imran, Muhammad; Bambach, Markus

2018-05-01

In the production of semi-finished metal products, hot forming is used to eliminate the pores and voids from the casting process under compressive stresses and to modify the microstructure for further processing. In the case of caliber and flat rolling processes, tensile stresses occur at certain roll gap ratios which promote pore formation on nonmetallic inclusion. The formation of new pores contributes to ductile damage and reduces the load carrying capacity of the material. In the literature, the damage nucleation and growth during the hot forming process are not comprehensively described. The aim of this study is to understand the damage initiation and growth mechanism during hot forming processes. Hot tensile tests are performed at different temperatures and strain rates for 16MnCrS5 steel. To investigate the influence of geometrical variations on the damage mechanism, specimens with different stress triaxiality ratios are used. Finite element simulations using the Gurson-Tvergaard-Needleman (GTN) damage model are performed to estimate the critical void fraction for the damage initiation and the evolution of the void volume fraction. The results showed that the GTN model underestimates the softening of the material due to the independence of the temperature and the strain rate.

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

PubMed Central

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

2013-01-01

This study investigated the mechanisms, using microscopy and strength testing approaches, by which the addition of maleic anhydride grafted high-density polyethylene (MAPE) enhances the mechanical properties of basalt fiber-wood-plastic composites (BF-WPCs). The maximum values of the specific tensile and flexural strengths areachieved at a MAPE content of 5%–8%. The elongation increases rapidly at first and then continues slowly. The nearly complete integration of the wood fiber with the high-density polyethylene upon MAPE addition to WPC is examined, and two models of interfacial behavior are proposed. We examined the physical significance of both interfacial models and their ability to accurately describe the effects of MAPE addition. The mechanism of formation of the Model I interface and the integrated matrix is outlined based on the chemical reactions that may occur between the various components as a result of hydrogen bond formation or based on the principle of compatibility, resulting from similar polarity. The Model I fracture occurred on the outer surface of the interfacial layer, visually demonstrating the compatibilization effect of MAPE addition. PMID:28809285

Oxidation state and interfacial effects on oxygen vacancies in tantalum pentoxide

DOE PAGES

Bondi, Robert J.; Marinella, Matthew J.

2015-02-28

First-principles density-functional theory (DFT) calculations are used to study the atomistic structure, structural energetics, and electron density near the O monovacancy (V O n; n=0,1+,2+) in both bulk, amorphous tantalum pentoxide (a-Ta 2O 5) and also at vacuum and metallic Ta interfaces. We calculate multivariate vacancy formation energies to evaluate stability as a function of oxidation state, distance from interface plane, and Fermi energy. V O n of all oxidation states preferentially segregate at both Ta and vacuum interfaces, where the metallic interface exhibits global formation energy minima. In a-Ta 2O 5, V O 0 are characterized by structural contractionmore » and electron density localization, while V O 2+ promote structural expansion and are depleted of electron density. In contrast, interfacial V O 0 and V O 2+ show nearly indistinguishable ionic and electronic signatures indicative of a reduced V O center. Interfacial V O 2+ extract electron density from metallic Ta indicating V O 2+ is spontaneously reduced at the expense of the metal. This oxidation/reduction behavior suggests careful selection and processing of both oxide layer and metal electrodes for engineering memristor device operation.« less

Molecular microelectrostatic view on electronic states near pentacene grain boundaries

NASA Astrophysics Data System (ADS)

Verlaak, Stijn; Heremans, Paul

2007-03-01

Grain boundaries are the most inevitable and pronounced structural defects in pentacene films. To study the effect of those structural defects on the electronic state distribution, the energy levels of a hole on molecules at and near the defect have been calculated using a submolecular self-consistent-polarization-field approach in combination with atomic charge-quadrupole interaction energy calculations. This method has been benchmarked prior to application on four idealized grain boundaries: a grain boundary void, a void with molecules squeezed in between two grains, a boundary between two grains with different crystallographic orientations, and a grain boundary void in which a permanent dipole (e.g., a water molecule) has nested. While idealized, those views highlight different aspects of real grain boundaries. Implications on macroscopic charge transport models are discussed, as well as some relation between growth conditions and the formation of the grain boundary.

Interfacial micropore defect formation in PEDOT:PSS-Si hybrid solar cells probed by TOF-SIMS 3D chemical imaging.

PubMed

Thomas, Joseph P; Zhao, Liyan; Abd-Ellah, Marwa; Heinig, Nina F; Leung, K T

2013-07-16

Conducting p-type polymer layers on n-type Si have been widely studied for the fabrication of cost-effective hybrid solar cells. In this work, time-of-flight secondary ion mass spectrometry (TOF-SIMS) is used to provide three-dimensional chemical imaging of the interface between poly(3,4-ethylene-dioxythiophene):polystyrenesulfonate (PEDOT:PSS) and SiOx/Si in a hybrid solar cell. To minimize structural damage to the polymer layer, an Ar cluster sputtering source is used for depth profiling. The present result shows the formation of micropore defects in the interface region of the PEDOT:PSS layer on the SiOx/Si substrate. This interfacial micropore defect formation becomes more prominent with increasing thickness of the native oxide layer, which is a key device parameter that greatly affects the hybrid solar cell performance. Three-dimensional chemical imaging coupled with Ar cluster ion sputtering has therefore been demonstrated as an emerging technique for probing the interface of this and other polymer-inorganic systems.

Polysaccharide chemistry regulates kinetics of calcite nucleation through competition of interfacial energies.

PubMed

Giuffre, Anthony J; Hamm, Laura M; Han, Nizhou; De Yoreo, James J; Dove, Patricia M

2013-06-04

Calcified skeletons are produced within complex assemblages of proteins and polysaccharides whose roles in mineralization are not well understood. Here we quantify the kinetics of calcite nucleation onto a suite of high-purity polysaccharide (PS) substrates under controlled conditions. The energy barriers to nucleation are PS-specific by a systematic relationship to PS charge density and substrate structure that is rooted in minimization of the competing substrate-crystal and substrate-liquid interfacial energies. Chitosan presents a low-energy barrier to nucleation because its near-neutral charge favors formation of a substrate-crystal interface, thus reducing substrate interactions with water. Progressively higher barriers are measured for negatively charged alginates and heparin that favor contact with the solution over the formation of new substrate-crystal interfaces. The findings support a directing role for PS in biomineral formation and demonstrate that substrate-crystal interactions are one end-member in a larger continuum of competing forces that regulate heterogeneous crystal nucleation.

Polysaccharide chemistry regulates kinetics of calcite nucleation through competition of interfacial energies

PubMed Central

Hamm, Laura M.; Han, Nizhou; De Yoreo, James J.; Dove, Patricia M.

2013-01-01

Calcified skeletons are produced within complex assemblages of proteins and polysaccharides whose roles in mineralization are not well understood. Here we quantify the kinetics of calcite nucleation onto a suite of high-purity polysaccharide (PS) substrates under controlled conditions. The energy barriers to nucleation are PS-specific by a systematic relationship to PS charge density and substrate structure that is rooted in minimization of the competing substrate–crystal and substrate–liquid interfacial energies. Chitosan presents a low-energy barrier to nucleation because its near-neutral charge favors formation of a substrate–crystal interface, thus reducing substrate interactions with water. Progressively higher barriers are measured for negatively charged alginates and heparin that favor contact with the solution over the formation of new substrate–crystal interfaces. The findings support a directing role for PS in biomineral formation and demonstrate that substrate–crystal interactions are one end-member in a larger continuum of competing forces that regulate heterogeneous crystal nucleation. PMID:23690577

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

PubMed

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

2015-02-03

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

Effect of maleated natural rubber on tensile strength and compatibility of natural rubber/coconut coir composite

NASA Astrophysics Data System (ADS)

Ujianto, O.; Noviyanti, R.; Wijaya, R.; Ramadhoni, B.

2017-07-01

Natural rubber (NR)/coconut coir (CF) composites were fabricated using co-rotating twin screw extruder with maleated NR (MNR) used as compatibilizer. The MNR was produced at three level of maleic anhydride (MA), and analyzed qualitative and quantitatively using FTIR and titration technique. Analysis on MNR using FTIR and titration methods showed that MA was grafted on NR chain at different percentage (0.76, 2.23, 4.79%) depended on MA concentration. Tensile strength data showed the best tensile strength was produced at 7 phr of MNR with 1 phr of MA level in MNR resulting 16.4 MPa. The improvement of compatibilized samples were more than 300% compare to uncompatibilized composite attributed to better interfacial bonding. The improvement on tensile strength was significantly influenced by MNR level and amount of MA added to produce MNR, as well as their interaction. The optimum conditions for producing NR-CF composite were predicted at 6.5 phr of MNR level with 1 phr of MA concentration added in MNR production, regardless screw rotation settings. Results from verification experiments confirm that developed model was capable of describing phenomena during composite preparation. Morphology analysis using scanning electron microscopy shows smooth covered fiber in compatibilized samples than that of without MNR. The morphology also showed less voids on compatibilized samples attributed to better interfacial bonding leading to tensile strength improvement.

Induced Infiltration of Hole-Transporting Polymer into Photocatalyst for Staunch Polymer-Metal Oxide Hybrid Solar Cells.

PubMed

Park, Jong Hwan; Jung, Youngsuk; Yang, Yooseong; Shin, Hyun Suk; Kwon, Soonchul

2016-10-05

For efficient solar cells based on organic semiconductors, a good mixture of photoactive materials in the bulk heterojunction on the length scale of several tens of nanometers is an important requirement to prevent exciton recombination. Herein, we demonstrate that nanoporous titanium dioxide inverse opal structures fabricated using a self-assembled monolayer method and with enhanced infiltration of electron-donating polymers is an efficient electron-extracting layer, which enhances the photovoltaic performance. A calcination process generates an inverse opal structure of titanium dioxide (<70 nm of pore diameters) providing three-dimensional (3D) electron transport pathways. Hole-transporting polymers was successfully infiltrated into the pores of the surface-modified titanium dioxide under vacuum conditions at 200 °C. The resulting geometry expands the interfacial area between hole- and electron-transport materials, increasing the thickness of the active layer. The controlled polymer-coating process over titanium dioxide materials enhanced photocurrent of the solar cell device. Density functional theory calculations show improved interfacial adhesion between the self-assembled monolayer-modified surface and polymer molecules, supporting the experimental result of enhanced polymer infiltration into the voids. These results suggest that the 3D inverse opal structure of the surface-modified titanium dioxide can serve as a favorable electron-extracting layer in further enhancing optoelectronic performance based on organic or organic-inorganic hybrid solar cell.

Nonswelling alloy

DOEpatents

Harkness, S.D.

1975-12-23

An aluminum alloy containing one weight percent copper has been found to be resistant to void formation and thus is useful in all nuclear applications which currently use aluminum or other aluminum alloys in reactor positions which are subjected to high neutron doses.

Numerical modelling of impact crater formation associated with isolated lunar skylight candidates on lava tubes

NASA Astrophysics Data System (ADS)

Martellato, E.; Foing, B. H.; Benkhoff, J.

2013-09-01

Skylights are openings on subsurface voids as lava tubes and caves. Recently deep hole structures, possibly skylights, were discovered on lunar photo images by the JAXA SELenological and ENgineering Explorer (SELENE)-Kaguya mission, and successively confirmed by the NASA Lunar Reconnaissance Orbiter (LRO) mission. Vertical hole structures and possibly underlying subsurface voids have high potential as resources for scientific study, and future unmanned and manned activities on the Moon. One mechanism proposed for their formation is impact cratering. The collapse of craters is due to the back spallation phenomena on the rear surface of the lava tube roofs. Previous analysis in this topic was based on small-scales laboratory experiments. These have pointed out that (i) the target thickness-to-crater diameter ratio is 0.7, and (ii) the projectile diameter-to-target thickness ratio is 0.16, at the ballistic limit once extrapolated to planetary conditions.

Oxidation of nickel-aluminum and iron-aluminum alloys

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

Cathcart, J.V.

1985-01-01

The high-temperature oxidation behavior of several ordered alloys in the Ni-Al and Fe-Al systems is reviewed with special emphasis on Ni/sub 3/Al and NiAl. Ordering influences oxidation through its effect on the activities of the alloy components and by changing the point defect concentration in an alloy. Three categories of Ni-Al alloys are distinguished based on Al content and oxidation behavior. A characteristic feature of the oxidation of high-aluminum Ni-Al and Fe-Al alloys is the formation of voids in the substrate at the oxidate-metal interface. The mechanism of void formation and its suppression by minor additions of oxygen-active elements ismore » discussed. A brief description of the effect of preoxidation on the reactions of Ni/sub 3/Al-base alloys in SO/sub 2//O/sub 2/ environments is also included. 51 references, 14 figures, 1 table.« less

Oxidation of nickel-aluminum and iron-aluminum alloys

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

Cathcart, J.V.

1984-01-01

The high-temperature oxidation behavior of several ordered alloys in the Ni-Al and Fe-Al systems is reviewed with special emphasis on Ni/sub 3/Al and NiAl. Ordering influences oxidation through its effect on the activities of the alloy components and by changing the point defect concentration in an alloy. Three categories of Ni-Al alloys are distinguished based on Al content and oxidation behavior. A characteristic feature of the oxidation of high-aluminum Ni-Al and Fe-Al alloys is the formation of voids in the substrate at the oxide-metal interface. The mechanism of void formation and its suppression by minor additions of oxygen-active elements aremore » discussed. A brief description of the effect of pre-oxidation on the reactions of Ni/sub 3/Al-base alloys in SO/sub 2//O/sub 2/ environments is also included.« less

Off-stoichiometric defect clustering in irradiated oxides

NASA Astrophysics Data System (ADS)

Khalil, Sarah; Allen, Todd; EL-Azab, Anter

2017-04-01

A cluster dynamics model describing the formation of vacancy and interstitial clusters in irradiated oxides has been developed. The model, which tracks the composition of the oxide matrix and the defect clusters, was applied to the early stage formation of voids and dislocation loops in UO2, and the effects of irradiation temperature and dose rate on the evolution of their densities and composition was investigated. The results show that Frenkel defects dominate the nucleation process in irradiated UO2. The results also show that oxygen vacancies drive vacancy clustering while the migration energy of uranium vacancies is a rate-limiting factor for the nucleation and growth of voids. In a stoichiometric UO2 under irradiation, off-stoichiometric vacancy clusters exist with a higher concentration of hyper-stoichiometric clusters. Similarly, off-stoichiometric interstitial clusters form with a higher concentration of hyper-stoichiometric clusters. The UO2 matrix was found to be hyper-stoichiometric due to the accumulation of uranium vacancies.

Molded underfill (MUF) encapsulation for flip-chip package: A numerical investigation

NASA Astrophysics Data System (ADS)

Azmi, M. A.; Abdullah, M. K.; Abdullah, M. Z.; Ariff, Z. M.; Saad, Abdullah Aziz; Hamid, M. F.; Ismail, M. A.

2017-07-01

This paper presents the numerical simulation of epoxy molding compound (EMC) filling in multi flip-chip packages during encapsulation process. The empty and a group flip chip packages were considered in the mold cavity in order to study the flow profile of the EMC. SOLIDWORKS software was used for three-dimensional modeling and it was incorporated into fluid analysis software namely as ANSYS FLUENT. The volume of fluid (VOF) technique was used for capturing the flow front profiles and Power Law model was applied for its rheology model. The numerical result are compared and discussed with previous experimental and it was shown a good conformity for model validation. The prediction of flow front was observed and analyzed at different filling time. The possibility and visual of void formation in the package is captured and the number of flip-chip is one factor that contributed to the void formation.

Crystal plasticity in Cu damascene interconnect lines undergoing electromigration as revealed by synchrotron x-ray microdiffraction

NASA Astrophysics Data System (ADS)

Budiman, A. S.; Nix, W. D.; Tamura, N.; Valek, B. C.; Gadre, K.; Maiz, J.; Spolenak, R.; Patel, J. R.

2006-06-01

Plastic deformation was observed in damascene Cu interconnect test structures during an in situ electromigration experiment and before the onset of visible microstructural damage (voiding, hillock formation). We show here, using a synchrotron technique of white beam x-ray microdiffraction, that the extent of this electromigration-induced plasticity is dependent on the linewidth. In wide lines, plastic deformation manifests itself as grain bending and the formation of subgrain structures, while only grain rotation is observed in the narrower lines. The deformation geometry leads us to conclude that dislocations introduced by plastic flow lie predominantly in the direction of electron flow and may provide additional easy paths for the transport of point defects. Since these findings occur long before any observable voids or hillocks are formed, they may have direct bearing on the final failure stages of electromigration.

Radiographic and Histologic Evaluation of a Bone Void that Formed After Recombinant Human Bone Morphogenetic Protein-2-Mediated Sinus Graft Augmentation: A Case Report.

PubMed

Kang, Hyun-Joo; Jun, Choong-Man; Yun, Jeong-Ho

2016-01-01

In the present case report, the authors describe radiographic and histologic observations of a bone void that formed after a sinus augmentation using a graft material that contained recombinant human bone morphogenetic protein-2 (rhBMP-2) and discuss clinical and histologic implications of their findings. Sinus augmentation was performed using a graft material comprising 1 g of hydroxyapatite/β-tricalcium phosphate, which contained 1 mg of rhBMP-2. Radiographic evaluation was conducted with panoramic radiographs and computed tomography images of the augmented maxillary sinus, which were analyzed using a three-dimensional image-reconstruction program. Histologic evaluation was also performed on a biopsy specimen obtained 6 months after the sinus augmentation. The total augmented volume increased from 1,582.2 mm(3) immediately after the sinus augmentation to 3,344.9 mm3 at 6 months after the augmentation because of the formation of a bone void. Twenty-six months after the sinus augmentation, the bone void remained but had reduced in volume, with the total augmented volume reduced to 2,551.7 mm(3). Histologically, new bone was observed to be in contact with the grafted particles, and a fatty marrow-like tissue was present in the area of the bone void. This case report shows that the bone void that had formed after sinus augmentation resolved over time and seemed to be partially replaced with new bone. Furthermore, none of the implants failed, and clinical adverse events were not observed during the follow-up period.

"Dark energy" in the Local Void

NASA Astrophysics Data System (ADS)

Villata, M.

2012-05-01

The unexpected discovery of the accelerated cosmic expansion in 1998 has filled the Universe with the embarrassing presence of an unidentified "dark energy", or cosmological constant, devoid of any physical meaning. While this standard cosmology seems to work well at the global level, improved knowledge of the kinematics and other properties of our extragalactic neighborhood indicates the need for a better theory. We investigate whether the recently suggested repulsive-gravity scenario can account for some of the features that are unexplained by the standard model. Through simple dynamical considerations, we find that the Local Void could host an amount of antimatter (˜5×1015 M ⊙) roughly equivalent to the mass of a typical supercluster, thus restoring the matter-antimatter symmetry. The antigravity field produced by this "dark repulsor" can explain the anomalous motion of the Local Sheet away from the Local Void, as well as several other properties of nearby galaxies that seem to require void evacuation and structure formation much faster than expected from the standard model. At the global cosmological level, gravitational repulsion from antimatter hidden in voids can provide more than enough potential energy to drive both the cosmic expansion and its acceleration, with no need for an initial "explosion" and dark energy. Moreover, the discrete distribution of these dark repulsors, in contrast to the uniformly permeating dark energy, can also explain dark flows and other recently observed excessive inhomogeneities and anisotropies of the Universe.

Hierarchical analysis of the degradation of fibre-reinforced polymers under the presence of void imperfections

PubMed Central

2016-01-01

The subject of this work is the investigation of the influence of voids on the mechanical properties of fibre-reinforced polymers (FRPs) under compression loading. To specify the damage accumulation of FRPs in the presence of voids, the complex three-dimensional structure of the composite including voids was analysed and a reduced mechanical model composite was derived. The hierarchical analysis of the model composite on a micro-scale level implies the description of the stress and strain behaviour of the matrix using the photoelasticity technique and digital image correlation technology. These studies are presented along with an analytical examination of the stability of a single fibre. As a result of the experimental and analytical studies, the stiffness of the matrix and fibre as well as their bonding, the initial fibre orientation and the fibre diameter have the highest impact on the failure initiation. All these facts lead to a premature fibre–matrix debonding with ongoing loss of stability of the fibre and followed by kink-band formation. Additional studies on the meso-scale of transparent glass FRPs including a unique void showed that the experiments carried out on the model composites could be transferred to real composites. This article is part of the themed issue ‘Multiscale modelling of the structural integrity of composite materials’. PMID:27242296

Electromigration Failure Mechanism in Sn-Cu Solder Alloys with OSP Cu Surface Finish

NASA Astrophysics Data System (ADS)

Chu, Ming-Hui; Liang, S. W.; Chen, Chih; Huang, Annie T.

2012-09-01

Organic solderable preservative (OSP) has been adopted as the Cu substrate surface finish in flip-chip solder joints for many years. In this study, the electromigration behavior of lead-free Sn-Cu solder alloys with thin-film under bump metallization and OSP surface finish was investigated. The results showed that severe damage occurred on the substrate side (cathode side), whereas the damage on the chip side (cathode side) was not severe. The damage on the substrate side included void formation, copper dissolution, and formation of intermetallic compounds (IMCs). The OSP Cu interface on the substrate side became the weakest point in the solder joint even when thin-film metallization was used on the chip side. Three-dimensional simulations were employed to investigate the current density distribution in the area between the OSP Cu surface finish and the solder. The results indicated that the current density was higher along the periphery of the bonding area between the solder and the Cu pad, consistent with the area of IMC and void formation in our experimental results.

Sculpting with light: Light/matter interactions in biocompatible polymers

NASA Astrophysics Data System (ADS)

Applegate, Matthew B.

When light interacts with matter either the light or the material can be changed. This dissertation focuses on light/matter interaction in silk fibroin and its utility for biomedical applications. Silk, a natural biocompatible, biodegradable polymer, has a large 3-photon absorption cross-section which allows modest peak intensity light to cause significant multiphoton absorption. This absorption allows voids to be formed with three dimensional control within soft, transparent silk hydrogels. A theoretical model of the void formation process is developed to allow the size of the voids to be predicted for a range of laser and sample parameters. Arbitrary 3D patterns are created in silk gels that allow cells to penetrate into the bulk of the gel both in vitro and in vivo. To explore how silk can be used to alter light, the creation of step-index optical waveguides, formed by encapsulating a silk film within a silk hydrogel, is described. These waveguides allow light to be delivered to targets through several centimeters of highly scattering biological tissue. Finally, the interaction of light with riboflavin is used to photocrosslink silk to form solid structures, rather than voids. The mechanism of crosslinking to be driven by radicalized tyrosine residues resulting in the formation of dityrosine bonds which lead to the gelation of a liquid silk solution. Riboflavin is a versatile photoinitiator and can be used to crosslink collagen as well as silk, which allows silk to be crosslinked directly to corneal collagen. When applied to the eye, an artificial corneal layer is formed which has the potential to treat various corneal diseases and allow for risk-free laser vision correction. These studies show the versatility of light-based processing of silk for a wide variety of medical applications.

An interfacial mechanism for cloud droplet formation on organic aerosols

DOE PAGES

Ruehl, C. R.; Davies, J. F.; Wilson, K. R.

2016-03-25

Accurate predictions of aerosol/cloud interactions require simple, physically accurate parameterizations of the cloud condensation nuclei (CCN) activity of aerosols. Current models assume that organic aerosol species contribute to CCN activity by lowering water activity. We measured droplet diameters at the point of CCN activation for particles composed of dicarboxylic acids or secondary organic aerosol and ammonium sulfate. Droplet activation diameters were 40 to 60% larger than predicted if the organic was assumed to be dissolved within the bulk droplet, suggesting that a new mechanism is needed to explain cloud droplet formation. A compressed film model explains how surface tension depressionmore » by interfacial organic molecules can alter the relationship between water vapor supersaturation and droplet size (i.e., the Köhler curve), leading to the larger diameters observed at activation.« less

Interfacial reactions between DBD and porous catalyst in dry methane reforming

NASA Astrophysics Data System (ADS)

Kameshima, Seigo; Mizukami, Ryo; Yamazaki, Takumi; Prananto, Lukman A.; Nozaki, Tomohiro

2018-03-01

Interaction between dielectric barrier discharge (DBD) and porous catalyst in dry methane reforming (CH4  +  CO2  =  2H2  +  2CO) was studied. Coke formation behavior and coke morphology, as well as material conversion and selectivity, over the cross-section of porous pellets was investigated comprehensively by SEM analysis, Raman spectroscopy and pulsed reforming diagnosis, showing DBD and porous pellet interaction is possible only in the interfacial region (the external surface of the pellet): neither generation of DBD nor the diffusion of plasma generated reactive species in the internal micropores is possible. Coke formation and gasification mechanism in nonthermal plasma catalysis of DMR were discussed based on the catalyst effectiveness factor: low-temperature plasma catalysis is equivalent to the high-temperature thermal catalysis.

Instability and dynamics of volatile thin films

NASA Astrophysics Data System (ADS)

Ji, Hangjie; Witelski, Thomas P.

2018-02-01

Volatile viscous fluids on partially wetting solid substrates can exhibit interesting interfacial instabilities and pattern formation. We study the dynamics of vapor condensation and fluid evaporation governed by a one-sided model in a low-Reynolds-number lubrication approximation incorporating surface tension, intermolecular effects, and evaporative fluxes. Parameter ranges for evaporation-dominated and condensation-dominated regimes and a critical case are identified. Interfacial instabilities driven by the competition between the disjoining pressure and evaporative effects are studied via linear stability analysis. Transient pattern formation in nearly flat evolving films in the critical case is investigated. In the weak evaporation limit unstable modes of finite-amplitude nonuniform steady states lead to rich droplet dynamics, including flattening, symmetry breaking, and droplet merging. Numerical simulations show that long-time behaviors leading to evaporation or condensation are sensitive to transitions between filmwise and dropwise dynamics.

An interfacial mechanism for cloud droplet formation on organic aerosols

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

Ruehl, C. R.; Davies, J. F.; Wilson, K. R.

Accurate predictions of aerosol/cloud interactions require simple, physically accurate parameterizations of the cloud condensation nuclei (CCN) activity of aerosols. Current models assume that organic aerosol species contribute to CCN activity by lowering water activity. We measured droplet diameters at the point of CCN activation for particles composed of dicarboxylic acids or secondary organic aerosol and ammonium sulfate. Droplet activation diameters were 40 to 60% larger than predicted if the organic was assumed to be dissolved within the bulk droplet, suggesting that a new mechanism is needed to explain cloud droplet formation. A compressed film model explains how surface tension depressionmore » by interfacial organic molecules can alter the relationship between water vapor supersaturation and droplet size (i.e., the Köhler curve), leading to the larger diameters observed at activation.« less

An interfacial mechanism for cloud droplet formation on organic aerosols.

PubMed

Ruehl, Christopher R; Davies, James F; Wilson, Kevin R

2016-03-25

Accurate predictions of aerosol/cloud interactions require simple, physically accurate parameterizations of the cloud condensation nuclei (CCN) activity of aerosols. Current models assume that organic aerosol species contribute to CCN activity by lowering water activity. We measured droplet diameters at the point of CCN activation for particles composed of dicarboxylic acids or secondary organic aerosol and ammonium sulfate. Droplet activation diameters were 40 to 60% larger than predicted if the organic was assumed to be dissolved within the bulk droplet, suggesting that a new mechanism is needed to explain cloud droplet formation. A compressed film model explains how surface tension depression by interfacial organic molecules can alter the relationship between water vapor supersaturation and droplet size (i.e., the Köhler curve), leading to the larger diameters observed at activation. Copyright © 2016, American Association for the Advancement of Science.

Experimental and theoretical screening of nanoscale oxide reactivity with LiBH4

NASA Astrophysics Data System (ADS)

Opalka, S. M.; Tang, X.; Laube, B. L.; Vanderspurt, T. H.

2009-05-01

Experimentation, thermodynamic modeling, and atomic modeling were combined to screen the reactivity of SiO2, Al2O3, and ZrO2 nanoscale oxides with LiBH4. Equilibrium thermodynamic modeling showed that the reactions of oxides with LiBH4 could lead to formation of stable Li-bearing oxide and metal boride phases. Experimentation was conducted to evaluate the discharge/recharge reaction products of nanoscale oxide-LiBH4 mixtures. Thermal gravimetric analyses-mass spectroscopy and x-ray diffraction revealed significant SiO2 destabilization of LiBH4 dehydrogenation, resulting in the formation of lithium silicate and boric acid. A smaller amount of lithium metaborate and boric acid was formed with Al2O3. No destabilization products were observed with ZrO2. Density functional theory atomic modeling predicted much stronger LiBH4 interfacial adsorption on the SiO2 and Al2O3 surfaces than on the ZrO2 surface, which was consistent with the experimental findings. Following dehydrogenation, interfacial Li atoms were predicted to strongly adsorb on the oxide surfaces effectively competing with LiH formation. The interfacial Li interactions with Al2O3 and ZrO2 were equal in strength in the fully hydrided and dehydrided states, so that their predicted net effect on LiBH4 dehydrogenation was insignificant. Zirconia was selected for nanoframework development based on the combined observations of compatibility and weaker associative interactions with LiBH4.

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

PubMed

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

2017-01-17

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

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

PubMed Central

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

2017-01-01

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

Real-time plasmon spectroscopy study of the solid-state oxidation and Kirkendall void formation in copper nanoparticles.

PubMed

Susman, Mariano D; Feldman, Yishai; Bendikov, Tatyana A; Vaskevich, Alexander; Rubinstein, Israel

2017-08-31

Oxidation and corrosion reactions have a major effect on the application of non-noble metals. Kinetic information and simple theoretical models are often insufficient for describing such processes in metals at the nanoscale, particularly in cases involving formation of internal voids (nano Kirkendall effect, NKE) during oxidation. Here we study the kinetics of solid-state oxidation of chemically-grown copper nanoparticles (NPs) by in situ localized surface plasmon resonance (LSPR) spectroscopy during isothermal annealing in the range 110-170 °C. We show that LSPR spectroscopy is highly effective in kinetic studies of such systems, enabling convenient in situ real-time measurements during oxidation. Change of the LSPR spectra throughout the oxidation follows a common pattern, observed for different temperatures, NP sizes and substrates. The well-defined initial Cu NP surface plasmon (SP) band red-shifts continuously with oxidation, while the extinction intensity initially increases to reach a maximum value at a characteristic oxidation time τ, after which the SP intensity continuously drops. The characteristic time τ is used as a scaling parameter for the kinetic analysis. Evolution of the SP wavelength and extinction intensity during oxidation at different temperatures follows the same kinetics when the oxidation time is normalized to τ, thus pointing to a general oxidation mechanism. The characteristic time τ is used to estimate the activation energy of the process, determined to be 144 ± 6 kJ mol -1 , similar to previously reported values for high-temperature Cu thermal oxidation. The central role of the NKE in the solid-state oxidation process is revealed by electron microscopy, while formation of Cu 2 O as the major oxidation product is established by X-ray diffraction, XPS, and electrochemical measurements. The results indicate a transition of the oxidation mechanism from a Valensi-Carter (VC) to NKE mechanism with the degree of oxidation. To interpret the optical evolution during oxidation, Mie scattering solutions for metal core-oxide shell spherical particles are computed, considering formation of Kirkendall voids. The model calculations are in agreement with the experimental results, showing that the large red-shift of the LSPR band during oxidation is the result of Kirkendall voiding, thus establishing the major role of the NKE in determining the optical behavior of such systems.

Fabrication of CNT@void@SnO2@C with tube-in-tube nanostructure as high-performance anode for lithium-ion batteries

NASA Astrophysics Data System (ADS)

Tian, Qinghua; Tian, Yang; Zhang, Zhengxi; Yang, Li; Hirano, Shin-ichi

2015-09-01

Tin dioxide/carbon composites is an important class of promising candidates for anode materials with superior electrochemical performance and thus have attracted extensive attention. Herein, a tube-in-tube nanostructure, denoted as CNT@void@SnO2@C, has been fabricated by a facile and novel strategy. The possible formation mechanism is also discussed and determined by TEM, XRD and XPS characterizations. As a promising anode material for lithium-ion batteries, the CNT@void@SnO2@C exhibits superior lithium storage properties, delivering a reversible capacity of 702.5 mAh g-1 at 200 mA g-1 even after 350 cycles. The excellent performances should be benefited from the peculiar tube-in-tube nanostructure, in which SnO2 located between CNT and outermost carbon coating layers can sure the structural integrity and high conductivity during long-term cycling, and one-dimensional void space formed between the inner CNT and outer SnO2@C nanotubes, in particular, can provide larger free space for alleviating the huge volume variation of SnO2 and accommodating the stress formed during repeated discharge/charge process.

Interfacial exciplex formation in bilayers of conjugated polymers

NASA Astrophysics Data System (ADS)

Nobuyasu, R. S.; Araujo, K. A. S.; Cury, L. A.; Jarrosson, T.; Serein-Spirau, F.; Lère-Porte, J.-P.; Dias, F. B.; Monkman, A. P.

2013-10-01

The donor-acceptor interactions in sequential bilayer and blend films are investigated. Steady-state and time-resolved photoluminescence (PL) were measured to characterize the samples at different geometries of photoluminescence collection. At standard excitation, with the laser incidence at 45° of the normal direction of the sample surface, a band related to the aggregate states of donor molecules appears for both blend and bilayer at around 540 nm. For the PL spectra acquired from the edge of the bilayer, with the laser incidence made at normal direction of the sample surface (90° geometry), a new featureless band emission, red-shifted from donor and acceptor emission regions was observed and assigned as the emission from interfacial exciplex states. The conformational complexity coming from donor/acceptor interactions at the heterojunction interface of the bilayer is at the origin of this interfacial exciplex emission.

Preparation and characterization of PVDF-glass fiber composite membrane reinforced by interfacial UV-grafting copolymerization.

PubMed

Luo, Nan; Xu, Rongle; Yang, Min; Yuan, Xing; Zhong, Hui; Fan, Yaobo

2015-12-01

A novel inorganic-organic composite membrane, namely poly(vinylidene fluoride) PVDF-glass fiber (PGF) composite membrane, was prepared and reinforced by interfacial ultraviolet (UV)-grafting copolymerization to improve the interfacial bonding strength between the membrane layer and the glass fiber. The interfacial polymerization between inorganic-organic interfaces is a chemical cross-linking reaction that depends on the functionalized glass fiber with silane coupling (KH570) as the initiator and the polymer solution with acrylamide monomer (AM) as the grafting block. The Fourier transform infrared spectrometer-attenuated total reflectance (FTIR-ATR) spectra and the energy dispersive X-ray (EDX) pictures of the interface between the glass fiber and polymer matrix confirmed that the AM was grafted to the surface of the glass fiber fabric and that the grafting polymer was successfully embedded in the membrane matrix. The formation mechanisms, permeation, and anti-fouling performance of the PGF composite membrane were measured with different amounts of AM in the doping solutions. The results showed that the grafting composite membrane improved the interfacial bonding strength and permeability, and the peeling strength was improved by 32.6% for PGF composite membranes with an AM concentration at 2wt.%. Copyright © 2015. Published by Elsevier B.V.

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

PubMed

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

2018-02-15

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

Engineering the biosynthesis of novel rhamnolipids in Escherichia coli for enhanced oil recovery.

PubMed

Han, L; Liu, P; Peng, Y; Lin, J; Wang, Q; Ma, Y

2014-07-01

The interfacial tension of rhamnolipids and their applications in enhanced oil recovery are dependent on their chemical structures and compositions. To improve their performances of interfacial tension and enhanced oil recovery, the engineered strategies were applied to produce novel rhamnolipids with different chemical structures and compositions. By introducing different key genes for rhamnolipid biosynthesis, Escherichia coli was firstly constructed to produce rhamnolipids that showed different performances in interfacial tension from those from Pseudomonas aeruginosa due to the different fatty acyl compositions. Then, the mutant RhlBs were created by directed evolution and subsequent site-directed mutagenesis and resulted in the production of the novel rhamnolipids with the different performances in interfacial tension as well as enhanced oil recovery. Lastly, computational modelling elucidates that the single amino acid mutation at the position 168 in RhlB would change the volume of binding pocket for substrate and thus affect the selectivity of rhamnolipid formation in E. coli. The novel rhamnolipids that showed the improved performances of interfacial tension and the potential different applications in enhanced oil recovery were successfully produced by engineered E. coli. This study proved that the combination of metabolic engineering and protein engineering is an important engineered strategy to produce many novel metabolites in micro-organisms. © 2014 The Society for Applied Microbiology.

In situ study on the effect of thermomigration on intermetallic compounds growth in liquid-solid interfacial reaction

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

Qu, Lin; Zhao, Ning; Ma, Haitao, E-mail: htma@dlut.edu.cn

2014-05-28

Synchrotron radiation real-time imaging technology was carried out in situ to observe and characterize the effect of thermomigration on the growth behavior of interfacial intermetallic compounds (IMCs) in Cu/Sn/Cu solder joint during soldering. The thermomigration resulted in asymmetrical formation and growth of the interfacial IMCs. Cu{sub 6}Sn{sub 5} and Cu{sub 3}Sn IMCs formed at the cold end and grew rapidly during the whole soldering process. However, only Cu{sub 6}Sn{sub 5} IMC formed at the hot end and remained relatively thin until solidification. The IMCs at the cold end were nearly seven times thicker than that at the hot end aftermore » solidification. The Cu dissolution at the cold end was significantly restrained, while that at the hot end was promoted, which supplied Cu atoms to diffuse toward the cold end under thermomigration to feed the rapid IMC growth. Moreover, the thermomigration also caused asymmetrical morphology of the interfacial IMCs at the cooling stage, i.e., the Cu{sub 6}Sn{sub 5} IMC at the cold end transformed into facet structure, while that at the hot end remained scallop-type. The asymmetrical growth behavior of the interfacial IMCs was analyzed from the view point of kinetics.« less

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

PubMed

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

2017-02-17

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

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

NASA Astrophysics Data System (ADS)

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

2017-02-01

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

Kesterite Cu2ZnSn(S,Se)4 Solar Cells with beyond 8% Efficiency by a Sol-Gel and Selenization Process.

PubMed

Liu, Fangyang; Zeng, Fangqin; Song, Ning; Jiang, Liangxing; Han, Zili; Su, Zhenghua; Yan, Chang; Wen, Xiaoming; Hao, Xiaojing; Liu, Yexiang

2015-07-08

A facile sol-gel and selenization process has been demonstrated to fabricate high-quality single-phase earth abundant kesterite Cu2ZnSn(S,Se)4 (CZTSSe) photovoltaic absorbers. The structure and band gap of the fabricated CZTSSe can be readily tuned by varying the [S]/([S] + [Se]) ratios via selenization condition control. The effects of [S]/([S] + [Se]) ratio on device performance have been presented. The best device shows 8.25% total area efficiency without antireflection coating. Low fill factor is the main limitation for the current device efficiency compared to record efficiency device due to high series resistance and interface recombination. By improving film uniformity, eliminating voids, and reducing the Mo(S,Se)2 interfacial layer, a further boost of the device efficiency is expected, enabling the proposed process for fabricating one of the most promising candidates for kesterite solar cells.

An investigation of adhesive/adherend and fiber/matrix interactions. Part B: SEM/ESCA analysis of fracture surfaces

NASA Technical Reports Server (NTRS)

Beck, B.; Widyani, E.; Wightman, J. P.

1983-01-01

Adhesion was studied with emphasis on the characterization of surface oxide layers, the analysis of fracture surfaces, and the interaction of matrices and fibers. A number of surface features of the fractured lap shear samples were noted in the SEM photomicrographs including the beta phase alloy of the Ti 6-4 adherend, the imprint of the adherend on the adhesive failure surface, increased void density for high temperature samples, and the alumina filler particles. Interfacial failure of some of the fractured lap shear samples is invariably characterized by the appearance of an ESCA oxygen photopeak at 530.3 eV assigned to the surface oxide layer of Ti 6-4 adherend. The effect of grit blasting on carbon fiber composites is evident in the SEM analysis. A high surface fluorine concentration on the composite surface is reduced some ten fold by grit blasting.

Mathematical modeling of elementary trapping-reduction processes in positron annihilation lifetime spectroscopy: methodology of Ps-to-positron trapping conversion

NASA Astrophysics Data System (ADS)

Shpotyuk, Ya; Cebulski, J.; Ingram, A.; Shpotyuk, O.

2017-12-01

Methodological possibilities of positron annihilation lifetime (PAL) spectroscopy in application to nanostructurized substances treated within three-term fitting procedure are reconsidered to parameterize their atomic-deficient structural arrangement. In contrast to conventional three-term fitting analysis of the detected PAL spectra based on admixed positron trapping and positronium (Ps) decaying, the nanostructurization due to guest nanoparticles embedded in host matrix is considered as producing modified trapping, which involves conversion between these channels. The developed approach referred to as x3-x2-coupling decomposition algorithm allows estimation free volumes of interfacial voids responsible for positron trapping and bulk lifetimes in nanoparticle-embedded substances. This methodology is validated using experimental data of Chakraverty et al. [Phys. Rev. B71 (2005) 024115] on PAL study of composites formed by guest NiFe2O4 nanocrystals grown in host SiO2 matrix.

Fracture toughness of Kevlar 29/poly(methyl methacrylate) composite materials for surgical implantations.

PubMed

Pourdeyhimi, B; Robinson, H H; Schwartz, P; Wagner, H D

1986-01-01

A study of the fracture behaviour of Kevlar 29 reinforced dental cement is undertaken using both linear elastic and nonlinear elastic fracture mechanics techniques. Results from both approaches--of which the nonlinear elastic is believed to be more appropriate--indicate that a reinforcing effect is obtained for the fracture toughness even at very low fibre content. The flexural strength and modulus are apparently not improved, however, by the incorporation of Kevlar 29 fibres in the PMMA cement, probably because of the presence of voids, the poor fibre/matrix interfacial bonding and unsatisfying cement mixing practice. When compared to other PMMA composite cements, the present system appears to be probably more effective than carbon/PMMA, for example, in terms of fracture toughness. More experimental and analytical work is needed so as to optimize the mechanical properties with respect to structural parameters and cement preparation technique.

Composites of ionic liquid and amine-modified SAPO 34 improve CO2 separation of CO2-selective polymer membranes

NASA Astrophysics Data System (ADS)

Hu, Leiqing; Cheng, Jun; Li, Yannan; Liu, Jianzhong; Zhang, Li; Zhou, Junhu; Cen, Kefa

2017-07-01

Mixed matrix membranes with ionic liquids and molecular sieve particles had high CO2 permeabilities, but CO2 separation from small gas molecules such as H2 was dissatisfied because of bad interfacial interaction between ionic liquid and molecular sieve particles. To solve that, amine groups were introduced to modify surface of molecular sieve particles before loading with ionic liquid. SAPO 34 was adopted as the original filler, and four mixed matrix membranes with different fillers were prepared on the outer surface of ceramic hollow fibers. Both surface voids and hard agglomerations disappeared, and the surface became smooth after SAPO 34 was modified by amine groups and ionic liquid [P66614][2-Op]. Mixed matrix membranes with composites of amine-modified SAPO 34 and ionic liquid exhibited excellent CO2 permeability (408.9 Barrers) and CO2/H2 selectivity (22.1).

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

NASA Astrophysics Data System (ADS)

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

2014-07-01

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

Titanium hermetic seals

DOEpatents

Brow, Richard K.; Watkins, Randall D.

1995-07-04

Titanium is prenitrided by being heated in a nitrogen environment under conditions which give rise to the formation of a titanium-nitride surface layer on the titanium. Titanium thus prenitrided may be used in electrical components which are hermetically sealed using silicate glasses and standard glass sealing techniques. According to the method of the invention, alkali volatilization and formation of deleterious interfacial silicide are inhibited.

Titanium hermetic seals

DOEpatents

Brow, Richard K.; Watkins, Randall D.

1995-01-01

Titanium is prenitrided by being heated in a nitrogen environment under conditions which give rise to the formation of a titanium-nitride surface layer on the titanium. Titanium thus prenitrided may be used in electrical components which are hermetically sealed using silicate glasses and standard glass sealing techniques. According to the method of the invention, alkali volatilization and formation of deleterious interfacial silicide are inhibited.

Interfacial engineering of microstructured materials

NASA Astrophysics Data System (ADS)

Poda, Aimee

The tribological behavior of octadecyltrichlorosilane self assembled monolayers (OTS-SAMs) has been successfully exploited to reduce energy losses and to produce adequate adhesion barrier properties on many MEMS surfaces. Unfortunately, performance discrepancies are reported in the literature between films produced on smooth surfaces as compared to typical MEMS surfaces maintaining topographical roughness. Rational explanations in terms of reproducibility issues, production considerations, and the scale of measurement technique have been introduced to account for some of the variation. The tribological phenomena at the micro-scale are complicated by the fact that rather than inertial effects, the forces associated with the surface become dominant factors influencing the mechanical behavior of contacting components. In MEMS, real mechanical contacts typically consist of a few nanometer scale asperities. Furthermore, various surface topographies exist for MEMS device fabrication and their corresponding asperity profiles can vary drastically based on the production process. This dissertation presents research focusing on the influence of topographical asperities on OTS film properties of relevance for efficient tribological improvement. A fundamental approach has been taken to carefully examine the factors that contribute to high quality film formation, specifically formation temperature and the role of interfacial water layer associated with the sample surface. As evidenced on smooth surfaces, the characteristics for successful tribological performance of OTS films are strongly dependent on the lateral packing density and molecular orientation of the monolayer. Limited information is available on how monolayers associate on topographical asperities and whether these topographical asperities influence the interfacial reactivity of MEMS surfaces. A silica film produced from a low temperature, vapor-phase hydrolysis of tetrachlorosilane with a tunable topography is introduced and leveraged as a novel investigative platform for advanced analytical investigations often restricted to use on smooth surfaces. This tunable surface allows intellectual insight into the nature of surface properties associated with silica surfaces, the uptake of interfacial water and the subsequent influence of surface morphology on OTS film formation. FTIR analysis was utilized for an examination of interfacial properties on both smooth Si(100) surfaces and on the tunable MVD topography in combination with an investigation of OTS film formation mechanism. A dilute etchant technique is developed to provide topographic contrast for AFM imaging to allow direct examination of film packing characteristics in relation to surface asperities. A relationship between monolayer adsorption characteristics and topographical asperities with observed variations in monolayer order resultant from surface roughness has been elucidated. Results show that the packing structure of OTS monolayers is dependent on the local asperity curvature which is qualitatively different from that observed on flat surfaces. In addition, a difference in surface reactivity is observed as a result of different surface topographies with thicker silica layers maintaining a thicker interfacial water layer resulting in a higher coverage of OTS monolayers at similar reaction times and conditions. This work shows changes in surface reactivity as a consequence of different morphological surface characteristics and preparation procedures. Additional research is presented on a new class of SAM, namely octadecylphoshonic acid and its monolayer formation mechanism and properties are compared to conventional OTS monolayers. This monolayer is translated to investigative probes based on Aluminum oxide specifically tailored for a tribological comparison across multi-scale friction regimes.

The Effect of Water and Confinement on Self-Assembly of Imidazolium Based Ionic Liquids at Mica Interfaces

PubMed Central

Cheng, H.-W.; Dienemann, J.-N.; Stock, P.; Merola, C.; Chen, Y.-J.; Valtiner, M.

2016-01-01

Tuning chemical structure and molecular layering of ionic liquids (IL) at solid interfaces offers leverage to tailor performance of ILs in applications such as super-capacitors, catalysis or lubrication. Recent experimental interpretations suggest that ILs containing cations with long hydrophobic tails form well-ordered bilayers at interfaces. Here we demonstrate that interfacial bilayer formation is not an intrinsic quality of hydrophobic ILs. In contrast, bilayer formation is triggered by boundary conditions including confinement, surface charging and humidity present in the IL. Therefore, we performed force versus distance profiles using atomic force microscopy and the surface forces apparatus. Our results support models of disperse low-density bilayer formation in confined situations, at high surface charging and/or in the presence of water. Conversely, interfacial structuring of long-chain ILs in dry environments and at low surface charging is disordered and dominated by bulk structuring. Our results demonstrate that boundary conditions such as charging, confinement and doping by impurities have decisive influence on structure formation of ILs at interfaces. As such, these results have important implications for understanding the behavior of solid/IL interfaces as they significantly extend previous interpretations. PMID:27452615

The Effect of Water and Confinement on Self-Assembly of Imidazolium Based Ionic Liquids at Mica Interfaces.

PubMed

Cheng, H-W; Dienemann, J-N; Stock, P; Merola, C; Chen, Y-J; Valtiner, M

2016-07-25

Tuning chemical structure and molecular layering of ionic liquids (IL) at solid interfaces offers leverage to tailor performance of ILs in applications such as super-capacitors, catalysis or lubrication. Recent experimental interpretations suggest that ILs containing cations with long hydrophobic tails form well-ordered bilayers at interfaces. Here we demonstrate that interfacial bilayer formation is not an intrinsic quality of hydrophobic ILs. In contrast, bilayer formation is triggered by boundary conditions including confinement, surface charging and humidity present in the IL. Therefore, we performed force versus distance profiles using atomic force microscopy and the surface forces apparatus. Our results support models of disperse low-density bilayer formation in confined situations, at high surface charging and/or in the presence of water. Conversely, interfacial structuring of long-chain ILs in dry environments and at low surface charging is disordered and dominated by bulk structuring. Our results demonstrate that boundary conditions such as charging, confinement and doping by impurities have decisive influence on structure formation of ILs at interfaces. As such, these results have important implications for understanding the behavior of solid/IL interfaces as they significantly extend previous interpretations.

MicroCT analysis of a retrieved root restored with a bonded fiber-reinforced composite dowel: a pilot study.

PubMed

Lorenzoni, Fabio Cesar; Bonfante, Estevam A; Bonfante, Gerson; Martins, Leandro M; Witek, Lukasz; Silva, Nelson R F A

2013-08-01

This evaluation aimed to (1) validate micro-computed tomography (microCT) findings using scanning electron microscopy (SEM) imaging, and (2) quantify the volume of voids and the bonded surface area resulting from fiber-reinforced composite (FRC) dowel cementation technique using microCT scanning technology/3D reconstructing software. A fiberglass dowel was cemented in a condemned maxillary lateral incisor prior to its extraction. A microCT scan was performed of the extracted tooth creating a large volume of data in DICOM format. This set of images was imported to image-processing software to inspect the internal architecture of structures. The outer surface and the spatial relationship of dentin, FRC dowel, cement layer, and voids were reconstructed. Three-dimensional spatial architecture of structures and volumetric analysis revealed that 9.89% of the resin cement was composed of voids and that the bonded area between root dentin and cement was 60.63% larger than that between cement and FRC dowel. SEM imaging demonstrated the presence of voids similarly observed using microCT technology (aim 1). MicroCT technology was able to nondestructively measure the volume of voids within the cement layer and the bonded surface area at the root/cement/FRC interfaces (aim 2). The interfaces at the root dentin/cement/dowel represent a timely and relevant topic where several efforts have been conducted in the past few years to understand their inherent features. MicroCT technology combined with 3D reconstruction allows for not only inspecting the internal arrangement rendered by fiberglass adhesively bonded to root dentin, but also estimating the volume of voids and contacted bond area between the dentin and cement layer. © 2013 by the American College of Prosthodontists.

Dislocation confinement in the growth of Na flux GaN on metalorganic chemical vapor deposition-GaN

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

Takeuchi, S., E-mail: takeuchi@ee.es.osaka-u.ac.jp; Asazu, H.; Nakamura, Y.

2015-12-28

We have demonstrated a GaN growth technique in the Na flux method to confine c-, (a+c)-, and a-type dislocations around the interface between a Na flux GaN crystal and a GaN layer grown by metalorganic chemical vapor deposition (MOCVD) on a (0001) sapphire substrate. Transmission electron microscopy (TEM) clearly revealed detailed interface structures and dislocation behaviors that reduced the density of vertically aligned dislocations threading to the Na flux GaN surface. Submicron-scale voids were formed at the interface above the dislocations with a c component in MOCVD-GaN, while no such voids were formed above the a-type dislocations. The penetration ofmore » the dislocations with a c component into Na flux GaN was, in most cases, effectively blocked by the presence of the voids. Although some dislocations with a c component in the MOCVD-GaN penetrated into the Na flux GaN, their propagation direction changed laterally through the voids. On the other hand, the a-type dislocations propagated laterally and collectively near the interface, when these dislocations in the MOCVD-GaN penetrated into the Na flux GaN. These results indicated that the dislocation propagation behavior was highly sensitive to the type of dislocation, but all types of dislocations were confined to within several micrometers region of the Na flux GaN from the interface. The cause of void formation, the role of voids in controlling the dislocation behavior, and the mechanism of lateral and collective dislocation propagation are discussed on the basis of TEM results.« less

Use of metallic glasses for fabrication of structures with submicron dimensions

DOEpatents

Wiley, John D.; Perepezko, John H.

1986-01-01

Patterned structures of submicron dimension formed of supported or unsupported amorphous metals having submicron feature sizes characterized by etching behavior sufficient to allow delineation of sharp edges and smooth flat flanks, resistance to time-dependent dimensional changes caused by creep, flow, in-diffusion of unwanted impurities, out-diffusion of constituent atoms, void formation, grain growth or phase separation and resistance to phase transformations or compound formation.

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

NASA Astrophysics Data System (ADS)

Kirsch, Paul Daniel

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

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

PubMed

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

2013-04-16

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

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

DOE PAGES

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

2014-07-25

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

Thermal Effects on a Low Cr Modification of PS304 Solid Lubricant Coating

NASA Technical Reports Server (NTRS)

Stanford, Malcolm K.; Yanke, Anne M.; DellaCorte, Christopher

2004-01-01

PS304 is a high temperature composite solid lubricant coating composed of Ni-Cr, Cr2O3, BaF2-CaF2 and Ag. The effect of reducing chromium content on the formation of voids in the Ni-Cr particles after heat treatment in PS304 coating was investigated. Coatings were prepared with Ni-20Cr or Ni-10Cr powder and in various combinations with the other constituents of PS304 (i.e., chromia, silver and eutectic BaF2-CaF2 powders) and deposited on metal substrates by plasma spray. Specimens were exposed to 650 C for 24 hr or 1090 C for 15 hr and then examined for changes in thickness, coating microstructure and adhesion strength. Specimens with Ni-10Cr generally had less thickness increase than specimens with Ni-20Cr, but there was great variance in the data. Reduction of chromium concentration in Ni-Cr powder tended to reduce the appearance of voids in the Ni-Cr phase after heat exposure. The presence of BaF2-CaF2 resulted in a significant increase in coating adhesion strength after heat treatment, while coatings without BaF2-CaF2 had no significant change. Chemical composition analysis suggested that the void formation was due to oxidation of chromium in the Ni-Cr constituent.

Synthetic nickel-containing superoxide dismutase attenuates para-phenylenediamine-induced bladder dysfunction in rats

PubMed Central

Chiang, Bing-Juin; Chen, Tien-Wen; Chung, Shiu-Dong; Lee, Way-Zen; Chien, Chiang-Ting

2017-01-01

Para (p)-phenylenediamine and its toxic metabolites induce excess reactive oxygen species formation that results in bladder voiding dysfunction. We determined the effects of synthetic Ni-containing superoxide dismutase mimics and the role of oxidative stress in p-phenylenediamine-induced urinary bladder dysfunction. P-phenylenediamine (60 μg/kg/day) was intraperitoneally administered for 4 weeks to induce bladder injury in female Wistar rats. Synthetic Ni-containing superoxide dismutase mimics, WCT003 (1.5 mg/kg) and WCT006 (1.5 mg/kg), were then intraperitoneally administered for 2 weeks. Transcystometrograms were performed in urethane-anesthetized rats. The in vitro and in vivo reactive oxygen species levels and pathological changes in formalin-fixed bladder sections were evaluated. Western blotting and immunohistochemistry elucidated the pathophysiological mechanisms of oxidative stress-induced apoptosis, autophagy, and pyroptosis. P-phenylenediamine increased voiding frequency, blood and urinary bladder levels of reactive oxygen species, and neutrophil and mast cell infiltration. It also upregulated biomarkers of autophagy (LC3 II), apoptosis (poly (ADP-ribose) polymerase), and pyroptosis (Caspase 1). WCT003 and WCT006 ameliorated reactive oxygen species production, inflammation, apoptosis, autophagy, pyroptosis, and bladder hyperactivity. P-phenylenediamine increased oxidative stress, inflammatory leukocytosis, autophagy, apoptosis, and pyroptosis formation within the urinary bladder. Novel synthetic nickel-containing superoxide dismutase mimics relieved p-phenylenediamine-induced bladder inflammation and voiding dysfunction. PMID:29285288

Formation of Reversible Solid Electrolyte Interface on Graphite Surface from Concentrated Electrolytes

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

Lu, Dongping; Tao, Jinhui; Yan, Pengfei

2017-02-10

Interfacial phenomena have always been key determinants for the performance of energy storage technologies. The solid electrolyte interfacial (SEI) layer, pervasive on the surfaces of battery electrodes for numerous chemical couples, directly affects the ion transport, charge transfer and lifespan of the entire energy system. Almost all SEI layers, however, are unstable resulting in the continuous consumption of the electrolyte. Typically, this leads to the accumulation of degradation products on/restructuring of the electrode surface and thus increased cell impedance, which largely limits the long-term operation of the electrochemical reactions. Herein, a completely new SEI formation mechanism has been discovered, inmore » which the electrolyte components reversibly self-assemble into a protective surface coating on a graphite electrode upon changing the potential. In contrast to the established wisdom regarding the necessity of employing the solvent ethylene carbonate (EC) to form a protective SEI layer on graphite, a wide range of EC-free electrolytes are demonstrated for the reversible intercalation/deintercalation of Li+ cations within a graphite lattice, thereby providing tremendous flexibility in electrolyte tailoring for battery couples. This novel finding is broadly applicable and provides guidance for how to control interfacial reactions through the relationship between ion aggregation and solvent decomposition at polarized interfaces.« less

Defects, strain relaxation, and compositional grading in high indium content InGaN epilayers grown by molecular beam epitaxy

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

Bazioti, C.; Kehagias, Th.; Pavlidou, E.

2015-10-21

We investigate the structural properties of a series of high alloy content InGaN epilayers grown by plasma-assisted molecular beam epitaxy, employing the deposition temperature as variable under invariant element fluxes. Using transmission electron microscopy methods, distinct strain relaxation modes were observed, depending on the indium content attained through temperature adjustment. At lower indium contents, strain relaxation by V-pit formation dominated, with concurrent formation of an indium-rich interfacial zone. With increasing indium content, this mechanism was gradually substituted by the introduction of a self-formed strained interfacial InGaN layer of lower indium content, as well as multiple intrinsic basal stacking faults andmore » threading dislocations in the rest of the film. We show that this interfacial layer is not chemically abrupt and that major plastic strain relaxation through defect introduction commences upon reaching a critical indium concentration as a result of compositional pulling. Upon further increase of the indium content, this relaxation mode was again gradually succeeded by the increase in the density of misfit dislocations at the InGaN/GaN interface, leading eventually to the suppression of the strained InGaN layer and basal stacking faults.« less

Enhancement of Sn-Bi-Ag Solder Joints with ENEPIG Surface Finish for Low-Temperature Interconnection

NASA Astrophysics Data System (ADS)

Pun, Kelvin P. L.; Islam, M. N.; Rotanson, Jason; Cheung, Chee-wah; Chan, Alan H. S.

2018-05-01

Low-temperature soldering constitutes a promising solution in interconnect technology with the increasing trend of heat-sensitive materials in integrated circuit packaging. Experimental work was carried out to investigate the effect of electroless Ni/electroless Pd/immersion gold (ENEPIG) layer thicknesses on Sn-Bi-Ag solder joint integrity during extended reflow at peak temperatures as low as 175°C. Optimizations are proposed to obtain reliable solder joints through analysis of interfacial microstructure with the resulting joint integrity under extended reflow time. A thin Ni(P) layer with thin Pd led to diffusion of Cu onto the interface resulting in Ni3Sn4 intermetallic compound (IMC) spalling with the formation of thin interfacial (Ni,Cu)3Sn4 IMCs which enhance the robustness of the solder after extended reflow, while thick Ni(P) with thin Pd resulted in weakened solder joints with reflow time due to thick interfacial Ni3Sn4 IMCs with the entrapped brittle Bi-phase. With a suitable thin Ni(P), the Pd thickness has to be optimized to prevent excessive Ni-P consumption and early Cu outward diffusion to enhance the solder joint during extended reflow. Based on these findings, suitable Ni(P) and Pd thicknesses of ENEPIG are recommended for the formation of robust low-temperature solder joints.

Interfacial solvation thermodynamics

NASA Astrophysics Data System (ADS)

Ben-Amotz, Dor

2016-10-01

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

Tensorial Minkowski functionals of triply periodic minimal surfaces

PubMed Central

Mickel, Walter; Schröder-Turk, Gerd E.; Mecke, Klaus

2012-01-01

A fundamental understanding of the formation and properties of a complex spatial structure relies on robust quantitative tools to characterize morphology. A systematic approach to the characterization of average properties of anisotropic complex interfacial geometries is provided by integral geometry which furnishes a family of morphological descriptors known as tensorial Minkowski functionals. These functionals are curvature-weighted integrals of tensor products of position vectors and surface normal vectors over the interfacial surface. We here demonstrate their use by application to non-cubic triply periodic minimal surface model geometries, whose Weierstrass parametrizations allow for accurate numerical computation of the Minkowski tensors. PMID:24098847

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.

Interfacial complexation in microfluidic droplets for single-step fabrication of microcapsule

NASA Astrophysics Data System (ADS)

Kaufman, Gilad; Nejati, Siamak; Sarfati, Raphael; Boltyanskiy, Rostislav; Williams, Danielle; Liu, Wei; Schloss, Ashley; Regan, Lynn; Yan, Elsa; Dufrense, Eric; Loewenberg, Michael; Osuji, Chinedum

We present microfluidic interfacial complexation in emulsion droplets as a simple single-step approach for fabricating a large variety of stable monodisperse microcapsules with tailored mechanical properties, protein binding and controlled release behavior. We rely on electrostatic interactions and hydrogen bonding to direct the assembly of complementary species at oil-water droplet interfaces to form microcapsules with polyelectrolyte shells, composite polyelectrolyte-nanoparticle shells, and copolymer-nanofiber shells. Additionally, we demonstrate the formation of microcapsules by adsorption of an amphiphilic bacterial hydrophobin, BslA, at oil-in-water and water-in-oil droplets, and protein capture on these capsules using engineered variants of the hydrophobin. We discuss the composition dependence of mechanical properties, shell thickness and release behavior, and regimes of stability for microcapsule fabrication. Nanoparticle based microcapsules display an intriguing plastic deformation response which enables the formation of large aspect ratio asperities by pipette aspiration of the shell.

Fundamental Processes of Atomization in Fluid-Fluid Flows

NASA Technical Reports Server (NTRS)

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

2001-01-01

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

Interfacial exciplex formation in bilayers of conjugated polymers.

PubMed

Nobuyasu, R S; Araujo, K A S; Cury, L A; Jarrosson, T; Serein-Spirau, F; Lère-Porte, J-P; Dias, F B; Monkman, A P

2013-10-28

The donor-acceptor interactions in sequential bilayer and blend films are investigated. Steady-state and time-resolved photoluminescence (PL) were measured to characterize the samples at different geometries of photoluminescence collection. At standard excitation, with the laser incidence at 45° of the normal direction of the sample surface, a band related to the aggregate states of donor molecules appears for both blend and bilayer at around 540 nm. For the PL spectra acquired from the edge of the bilayer, with the laser incidence made at normal direction of the sample surface (90° geometry), a new featureless band emission, red-shifted from donor and acceptor emission regions was observed and assigned as the emission from interfacial exciplex states. The conformational complexity coming from donor/acceptor interactions at the heterojunction interface of the bilayer is at the origin of this interfacial exciplex emission.

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

PubMed

Chen, Qijing; Deng, Xiaoyong; An, Zesheng

2014-06-01

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

Effect of high-pressure H{sub 2}O treatment on elimination of interfacial GeO{sub X} layer between ZrO{sub 2} and Ge stack

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

Huang, Chen-Shuo; Liu, Po-Tsun

2011-08-22

This investigation demonstrates the effect of high-pressure H{sub 2}O treatment on the elimination of the interfacial germanium suboxide (GeO{sub X}) layer between ZrO{sub 2} and Ge. The formation of GeO{sub X} interlayer increases the gate-leakage current and worsen the controllability of the gate during deposition or thermal cycles. X-ray photoelectron spectroscopy and high-resolution transmission electron microscopy reveal that high-pressure H{sub 2}O treatment eliminates the interfacial GeO{sub X} layer. The physical mechanism involves the oxidation of non-oxidized Zr with H{sub 2}O and the reduction of GeO{sub X} by H{sub 2}. Treatment with H{sub 2}O reduces the gate-leakage current of a ZrO{submore » 2}/Ge capacitor by a factor of 1000.« less

Strain Accommodation By Facile WO6 Octahedral Distortion and Tilting During WO3 Heteroepitaxy on SrTiO3(001)

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

Du, Yingge; Gu, Meng; Varga, Tamas

2014-08-27

In this paper, we show that compared to other BO6 octahedra in ABO3 structured perovskite oxides, the WO6 octahedra in tungsten trioxide (WO3) can withstand a much larger degree of distortion and tilting to accommodate interfacial strain, which in turn strongly impact the nucleation, structure, and defect formation during the epitaxial growth of WO3 on SrTiO3(001). A meta-stable tetragonal phase can be stabilized by epitaxy and a thickness dependent phase transition (tetragonal to monoclinic) is observed. In contrast to misfit dislocations to accommodate the interfacial stain, the facial WO6 octahedral distortion and tilting give rise to three types of planarmore » defects that affect more than 15 monolayers from the interface. These atomically resolved, unusual interfacial defects may significantly alter the electronic, electrochromic, and mechanical properties of the epitaxial films.« less

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

PubMed

Cai, B; Ikeda, S

2016-08-01

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

Defects in metal crystals. Progress report, May 1, 1980-April 30, 1981

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

Seidman, D.N.

1981-01-01

During the past year a strong endeavor was made to redirect the efforts of the research group to determine atomic mechanisms for the formation of metal silicides, among other problems, produced as a result of: (a) ion or electron irradiation of metal-silicon sandwiches; and (b) the ion irradiation of subsaturated binary alloys containing silicon. In addition, an appreciable component of the research is aimed at understanding the atomic mechanisms responsible for radiation-induced segregation and RIP in a wide range of fast-neutron irradiated refractory metals and alloys. In these same neutron irradiated specimens a search is being made for the speciesmore » that are responsible for the nucleation of voids. In particular, the voids are being examined, by the atom-probe field-ion microscope technique, for the interstitial impurities helium, carbon, nitrogen and oxygen. Evidence was obtained for the presence of carbon in a void of a fast neutron-irradiated molybdenum (titanium) alloy.« less

Tailoring galvanic replacement reaction for the preparation of Pt/Ag bimetallic hollow nanostructures with controlled number of voids.

PubMed

Zhang, Weiqing; Yang, Jizheng; Lu, Xianmao

2012-08-28

Here we report the synthesis of Pt/Ag bimetallic nanostructures with controlled number of void spaces via a tailored galvanic replacement reaction (GRR). Ag nanocubes (NCs) were employed as the template to react with Pt ions in the presence of HCl. The use of HCl in the GRR caused rapid precipitation of AgCl, which grew on the surface of Ag NCs and acted as a removable secondary template for the deposition of Pt. The number of nucleation sites for AgCl was tailored by controlling the amount of HCl added to the Ag NCs or by introducing PVP to the reaction. This strategy led to the formation of Pt/Ag hollow nanoboxes, dimers, multimers, or popcorn-shaped nanostructures consisting of one, two, or multiple hollow domains. Due to the presence of large void space and porous walls, these nanostructures exhibited high surface area and improved catalytic activity for methanol oxidation reaction.

Development of nano-fabrication technique utilizing self-organizational behavior of point defects induced by ion irradiation

NASA Astrophysics Data System (ADS)

Nitta, Noriko; Taniwaki, Masafumi

2006-04-01

The present authors proposed a novel nano-fabrication technique that is able to arrange the fine cells orderly, based on their finding in GaSb implanted at a low temperature. In this article, first the experimental results that anomalous cellular structure was formed in GaSb by ion implantation is introduced and the self-organizational formation mechanism of the structure is described. Next a nano-fabrication technique that utilizes focused ion beam is described. This technique consists of two procedures, i.e. the formation process of the voids array and the development of the initial array to ordered cellular structure. Finally, the nano-fabrication is actually performed by this technique and their results are reported. Fabrication succeeded in structures where the dot (cell) interval was 100 nm or larger. The minimum ion dose for initial voids which develops to the ordered cellular structure is evaluated. It is also shown that the substrate temperature during implantation is an essential parameter for this technique.

Hydrogen-vacancy-dislocation interactions in α-Fe

NASA Astrophysics Data System (ADS)

Tehranchi, A.; Zhang, X.; Lu, G.; Curtin, W. A.

2017-02-01

Atomistic simulations of the interactions between dislocations, hydrogen atoms, and vacancies are studied to assess the viability of a recently proposed mechanism for the formation of nanoscale voids in Fe-based steels in the presence of hydrogen. Quantum-mechanics/molecular-mechanics method calculations confirm molecular statics simulations based on embedded atom method (EAM) potential showing that individual vacancies on the compressive side of an edge dislocation can be transported with the dislocation as it glides. Molecular dynamics simulations based on EAM potential then show, however, that vacancy clusters in the glide plane of an approaching dislocation are annihilated or reduced in size by the creation of a double-jog/climb process that is driven by the huge reduction in energy accompanying vacancy annihilation. The effectiveness of annihilation/reduction processes is not reduced by the presence of hydrogen in the vacancy clusters because typical V-H cluster binding energies are much lower than the vacancy formation energy, except at very high hydrogen content in the cluster. Analysis of a range of configurations indicates that hydrogen plays no special role in stabilizing nanovoids against jog formation processes that shrink voids. Experimental observations of nanovoids on the fracture surfaces of steels must be due to as-yet undetermined processes.

Cavity Adaptation of Water-Based Restoratives Placed as Liners under a Resin Composite

PubMed Central

Gaintantzopoulou, Maria D.; Eliades, George

2017-01-01

Purpose. To investigate the cavity adaptation of mineral trioxide (ProRoot MTA/MT), tricalcium silicate (Biodentine/BD), and glass ionomer (Equia Fil/EF) cements used as liners and the interfacial integrity between those liners and a composite resin placed as the main restorative material. Materials and Methods. Standardized class I cavities (n: 8 per group) were prepared in upper premolars. Cavities were lined with a 1 mm thick layer of each of the tested materials and restored with Optibond FL adhesive and Herculite Precis composite resin. Cavity adaptation of the restorations was investigated by computerized X-ray microtomography. The regions of interest (ROI) were set at the cavity-liner (CL) interface and the liner-resin (LR) interface. The percentage void volume fraction (%VVF) in the ROI was calculated. The specimens were then sectioned and the interfaces were evaluated by reflection optical microscopy, to measure the % length (%LD) of the interfacial gaps. Selected samples were further evaluated by scanning electron microscopy. Statistical analysis was performed by two-way ANOVA and Student-Newman-Keuls multiple comparison test (a = 0.05). Results. MT showed significantly higher %VVF and %LD values in CL interfaces than BD and EF (p < 0.05). No significant differences were found among the materials for the same values at the LR interfaces. Conclusions. When used as a composite liner, ProRoot MTA showed inferior cavity adaptation at dentin/liner interface when compared to Biodentine and Equia Fil. PMID:28465685

Subsidence and collapse sinkholes in soluble rock: a numerical perspective

NASA Astrophysics Data System (ADS)

Kaufmann, Georg; Romanov, Douchko; Hiller, Thomas

2016-04-01

Soluble rocks such as limestone, gypsum, anhydrite, and salt are prone to subsidence and the sudden creation of collapse sinkholes. The reason for this behaviour stems from the solubility of the rock: Water percolating through fissures and bedding partings can remove material from the rock walls and thus increase the permeability of the host rock by orders of magnitudes. This process occurs on time scales of 1,000-100,000 years, resulting in enlarged fractures, voids and cavities, which then carry flow efficiently through the rock. The enlargement of sub-surface voids to the meter-size within such short times creates mechanical conditions prone to collapse. The collapse initiates at depth, but then propagates to the surface. By means of numerical modelling, we discuss the long-term evolution of secondary porosity in gypsum rocks, resulting in zones of sub-surface voids, which then become mechanically unstable and collapse. We study two real-world case scenarios, in which we can relate field observations to our numerical model: (i) A dam-site scenario, where flow around the dam caused widespread dissolution of gypsum and subsequent subsidence of the dam and a nearby highway. (ii) A natural collapse sinkhole forming as a result of freshwater inflow into a shallow anhydrite formation with rapid evolution of voids in the sub-surface.

Improvement effect on the depth-dose distribution by CSF drainage and air infusion of a tumour-removed cavity in boron neutron capture therapy for malignant brain tumours

NASA Astrophysics Data System (ADS)

Sakurai, Yoshinori; Ono, Koji; Miyatake, Shin-ichi; Maruhashi, Akira

2006-03-01

Boron neutron capture therapy (BNCT) without craniotomy for malignant brain tumours was started using an epi-thermal neutron beam at the Kyoto University Reactor in June 2002. We have tried some techniques to overcome the treatable-depth limit in BNCT. One of the effective techniques is void formation utilizing a tumour-removed cavity. The tumorous part is removed by craniotomy about 1 week before a BNCT treatment in our protocol. Just before the BNCT irradiation, the cerebro-spinal fluid (CSF) in the tumour-removed cavity is drained out, air is infused to the cavity and then the void is made. This void improves the neutron penetration, and the thermal neutron flux at depth increases. The phantom experiments and survey simulations modelling the CSF drainage and air infusion of the tumour-removed cavity were performed for the size and shape of the void. The advantage of the CSF drainage and air infusion is confirmed for the improvement in the depth-dose distribution. From the parametric surveys, it was confirmed that the cavity volume had good correlation with the improvement effect, and the larger effect was expected as the cavity volume was larger.

Improvement effect on the depth-dose distribution by CSF drainage and air infusion of a tumour-removed cavity in boron neutron capture therapy for malignant brain tumours.

PubMed

Sakurai, Yoshinori; Ono, Koji; Miyatake, Shin-Ichi; Maruhashi, Akira

2006-03-07

Boron neutron capture therapy (BNCT) without craniotomy for malignant brain tumours was started using an epi-thermal neutron beam at the Kyoto University Reactor in June 2002. We have tried some techniques to overcome the treatable-depth limit in BNCT. One of the effective techniques is void formation utilizing a tumour-removed cavity. The tumorous part is removed by craniotomy about 1 week before a BNCT treatment in our protocol. Just before the BNCT irradiation, the cerebro-spinal fluid (CSF) in the tumour-removed cavity is drained out, air is infused to the cavity and then the void is made. This void improves the neutron penetration, and the thermal neutron flux at depth increases. The phantom experiments and survey simulations modelling the CSF drainage and air infusion of the tumour-removed cavity were performed for the size and shape of the void. The advantage of the CSF drainage and air infusion is confirmed for the improvement in the depth-dose distribution. From the parametric surveys, it was confirmed that the cavity volume had good correlation with the improvement effect, and the larger effect was expected as the cavity volume was larger.

Ductile Damage and Fatigue Behavior of Semi-Finished Tailored Blanks for Sheet-Bulk Metal Forming Processes

NASA Astrophysics Data System (ADS)

Besserer, Hans-Bernward; Hildenbrand, Philipp; Gerstein, Gregory; Rodman, Dmytro; Nürnberger, Florian; Merklein, Marion; Maier, Hans Jürgen

2016-03-01

To produce parts from sheet metal with thickened functional elements, bulk forming operations can be employed. For this new process class, the term sheet-bulk metal forming has been established recently. Since sheet-bulk metal forming processes such as orbital forming generates triaxial stress and strain states, ductile damage is induced in the form of voids in the microstructure. Typical parts will experience cyclic loads during service, and thus, the influence of ductile damage on the fatigue life of parts manufactured by orbital forming is of interest. Both the formation and growth of voids were characterized following this forming process and then compared to the as-received condition of the ferritic deep drawing steel DC04 chosen for this study. Subsequent to the forming operation, the specimens were fatigued and the evolution of ductile damage and the rearrangement of the dislocation networks occurring during cyclic loading were determined. It was shown, that despite an increased ductile damage due to the forming process, the induced strain hardening has a positive effect on the fatigue life of the material. However, by analyzing the fatigued specimens a development of the ductile damage by an increasing number of voids and a change in the void shape were detected.

Understanding Interfacial Alignment in Solution Coated Conjugated Polymer Thin Films

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

Qu, Ge; Zhao, Xikang; Newbloom, Gregory M.

Domain alignment in conjugated polymer thin films can significantly enhance charge carrier mobility. However, the alignment mechanism during meniscus-guided solution coating remains unclear. Furthermore, interfacial alignment has been rarely studied despite its direct relevance and critical importance to charge transport. In this study, we uncover a significantly higher degree of alignment at the top interface of solution coated thin films, using a donor–acceptor conjugated polymer, poly(diketopyrrolopyrrole-co-thiopheneco- thieno[3,2- b]thiophene-co-thiophene) (DPP2T-TT), as the model system. At the molecular level, we observe in-plane π–π stacking anisotropy of up to 4.8 near the top interface with the polymer backbone aligned parallel to the coatingmore » direction. The bulk of the film is only weakly aligned with the backbone oriented transverse to coating. At the mesoscale, we observe a well-defined fibril-like morphology at the top interface with the fibril long axis pointing toward the coating direction. Significantly smaller fibrils with poor orientational order are found on the bottom interface, weakly aligned orthogonal to the fibrils on the top interface. The high degree of alignment at the top interface leads to a charge transport anisotropy of up to 5.4 compared to an anisotropy close to 1 on the bottom interface. We attribute the formation of distinct interfacial morphology to the skin-layer formation associated with high Peclet number, which promotes crystallization on the top interface while suppressing it in the bulk. As a result, we further infer that the interfacial fibril alignment is driven by the extensional flow on the top interface arisen from increasing solvent evaporation rate closer to the meniscus front.« less

Understanding Interfacial Alignment in Solution Coated Conjugated Polymer Thin Films

DOE PAGES

Qu, Ge; Zhao, Xikang; Newbloom, Gregory M.; ...

2017-08-01

Domain alignment in conjugated polymer thin films can significantly enhance charge carrier mobility. However, the alignment mechanism during meniscus-guided solution coating remains unclear. Furthermore, interfacial alignment has been rarely studied despite its direct relevance and critical importance to charge transport. In this study, we uncover a significantly higher degree of alignment at the top interface of solution coated thin films, using a donor–acceptor conjugated polymer, poly(diketopyrrolopyrrole-co-thiopheneco- thieno[3,2- b]thiophene-co-thiophene) (DPP2T-TT), as the model system. At the molecular level, we observe in-plane π–π stacking anisotropy of up to 4.8 near the top interface with the polymer backbone aligned parallel to the coatingmore » direction. The bulk of the film is only weakly aligned with the backbone oriented transverse to coating. At the mesoscale, we observe a well-defined fibril-like morphology at the top interface with the fibril long axis pointing toward the coating direction. Significantly smaller fibrils with poor orientational order are found on the bottom interface, weakly aligned orthogonal to the fibrils on the top interface. The high degree of alignment at the top interface leads to a charge transport anisotropy of up to 5.4 compared to an anisotropy close to 1 on the bottom interface. We attribute the formation of distinct interfacial morphology to the skin-layer formation associated with high Peclet number, which promotes crystallization on the top interface while suppressing it in the bulk. As a result, we further infer that the interfacial fibril alignment is driven by the extensional flow on the top interface arisen from increasing solvent evaporation rate closer to the meniscus front.« less

Effect of Pr Valence State on Interfacial Structure and Electrical Properties of Pr Oxide/PrON/Ge Gate Stack Structure

NASA Astrophysics Data System (ADS)

Kato, Kimihiko; Sakashita, Mitsuo; Takeuchi, Wakana; Kondo, Hiroki; Nakatsuka, Osamu; Zaima, Shigeaki

2011-04-01

In this study, we investigated the valence state and chemical bonding state of Pr in a Pr oxide/PrON/Ge structure. We clarified the relationship between the valence state of Pr and the Pr oxide/Ge interfacial reaction using Pr oxide/Ge and Pr oxide/PrON/Ge samples. We found the formation of three Pr oxide phases in Pr oxide films; hexagonal Pr2O3 (h-Pr2O3) (Pr3+), cubic Pr2O3 (c-Pr2O3) (Pr3+), and c-PrO2 (Pr4+). We also investigated the effect of a nitride interlayer on the interfacial reaction in Pr oxide/Ge gate stacks. In a sample with a nitride interlayer (Pr oxide/PrON/Ge), metallic Pr-Pr bonds are also formed in the c-Pr2O3 film. After annealing in H2 ambient, the diffusion of Ge into Pr oxide is not observed in this sample. Pr-Pr bonds probably prevent the interfacial reaction and Ge oxide formation, considering that the oxygen chemical potential of this film is lower than that of a GeO2/Ge system. On the other hand, the rapid thermal oxidation (RTO) treatment terminates the O vacancies and defects in c-Pr2O3. As a result, c-PrO2 with tetravalent Pr is formed in the Pr oxide/PrON/Ge sample with RTO. In this sample, the leakage current density is effectively decreased in comparison with the sample without RTO. Hydrogen termination works effectively in Pr oxide/PrON/Ge samples with and without RTO, and we can achieve an interface state density of as low as 4 ×1011 eV-1·cm-2.

Bow shock formation in a complex plasma.

PubMed

Saitou, Y; Nakamura, Y; Kamimura, T; Ishihara, O

2012-02-10

A bow shock is observed in a two-dimensional supersonic flow of charged microparticles in a complex plasma. A thin conducting needle is used to make a potential barrier as an obstacle for the particle flow in the complex plasma. The flow is generated and the flow velocity is controlled by changing a tilt angle of the device under the gravitational force. A void, microparticle-free region, is formed around the potential barrier surrounding the obstacle. The flow is bent around the leading edge of the void and forms an arcuate structure when the flow is supersonic. The structure is characterized by the bow shock as confirmed by a polytropic hydrodynamic theory as well as numerical simulation.

Dependence of triboelectric charging behavior on material microstructure

NASA Astrophysics Data System (ADS)

Wang, Andrew E.; Gil, Phwey S.; Holonga, Moses; Yavuz, Zelal; Baytekin, H. Tarik; Sankaran, R. Mohan; Lacks, Daniel J.

2017-08-01

We demonstrate that differences in the microstructure of chemically identical materials can lead to distinct triboelectric charging behavior. Contact charging experiments are carried out between strained and unstrained polytetrafluoroethylene samples. Whereas charge transfer is random between samples of identical strain, when one of the samples is strained, systematic charge transfer occurs. No significant changes in the molecular-level structure of the polymer are observed by XRD and micro-Raman spectroscopy after deformation. However, the strained surfaces are found to exhibit void and craze formation spanning the nano- to micrometer length scales by molecular dynamics simulations, SEM, UV-vis spectroscopy, and naked-eye observations. This suggests that material microstructure (voids and crazes) can govern the triboelectric charging behavior of materials.

Direct observation of oxygen-vacancy-enhanced polarization in a SrTiO 3-buffered ferroelectric BaTiO 3 film on GaAs

DOE PAGES

Qiao, Q.; Zhang, Y.; Contreras-Guerrero, Rocio; ...

2015-11-16

The integration of functional oxide thin-films on compound semiconductors can lead to a class of reconfigurable spin-based optoelectronic devices if defect-free, fully reversible active layers are stabilized. However, previous first-principles calculations predicted that SrTiO 3 thin filmsgrown on Si exhibit pinned ferroelectric behavior that is not switchable, due to the presence of interfacial vacancies. Meanwhile, piezoresponse force microscopy measurements have demonstrated ferroelectricity in BaTiO 3 grown on semiconductor substrates. The presence of interfacial oxygen vacancies in such complex-oxide/semiconductor systems remains unexplored, and their effect on ferroelectricity is controversial. We also use a combination of aberration-corrected scanning transmission electron microscopy andmore » first-principles density functional theory modeling to examine the role of interfacial oxygen vacancies on the ferroelectricpolarization of a BaTiO 3 thin filmgrown on GaAs. Moreover, we demonstrate that interfacial oxygen vacancies enhance the polar discontinuity (and thus the single domain, out-of-plane polarization pinning in BaTiO 3), and propose that the presence of surface charge screening allows the formation of switchable domains.« less

Unique Moon Formation Model: Two Impacts of Earth and After Moon's Birth

NASA Astrophysics Data System (ADS)

Miura, Y.

2018-04-01

The Moon rocks are mixed with two impact-processes of Earth's impact breccias and airless Moon's impact breccias; discussed voids-rich texture and crust-like composition. The present model might be explained as cave-rich interior on the airless-and waterless Moon.

Cavitation instability in bulk metallic glasses

NASA Astrophysics Data System (ADS)

Dai, L. H.; Huang, X.; Ling, Z.

2015-09-01

Recent experiments have shown that fracture surfaces of bulk metallic glasses (BMGs) usually exhibit an intriguing nanoscale corrugation like fractographic feature mediated by nanoscale void formation. We attribute the onset of this nanoscale corrugation to TTZs (tension transformation zones) mediated cavitation. In our recent study, the spall experiments of Zr-based BMG using a single-stage light gas gun were performed. To uncover the mechanisms of the spallation damage nucleation and evolution, the samples were designed to be subjected to dynamic tensile loadings of identical amplitude but with different durations by making use of the multi-stress pulse and the double-flyer techniques. It is clearly revealed that the macroscopic spall fracture in BMGs originates from the nucleation, growth and coalescence of micro-voids. Then, a microvoid nucleation model of BMGs based on free volume theory is proposed, which indicates that the nucleation of microvoids at the early stage of spallation in BMGs is resulted from diffusion and coalescence of free volume. Furthermore, a theoretical model of void growth in BMGs undergoing remote dynamic hydrostatic tension is developed. The critical condition of cavitation instability is obtained. It is found that dynamic void growth in BMGs can be well controlled by a dimensionless inertial number characterizing the competition between intrinsic and extrinsic time scales. To unveil the atomic-level mechanism of cavitation, a systematic molecular dynamics (MD) simulation of spallation behaviour of a binary metallic glass with different impact velocities was performed. It is found that micro-void nucleation is determined TTZs while the growth is controlled by shear transformation zones (STZs) at atomic scale.

In situ recording of particle network formation in liquids by ion conductivity measurements.

PubMed

Pfaffenhuber, Christian; Sörgel, Seniz; Weichert, Katja; Bele, Marjan; Mundinger, Tabea; Göbel, Marcus; Maier, Joachim

2011-09-21

The formation of fractal silica networks from a colloidal initial state was followed in situ by ion conductivity measurements. The underlying effect is a high interfacial lithium ion conductivity arising when silica particles are brought into contact with Li salt-containing liquid electrolytes. The experimental results were modeled using Monte Carlo simulations and tested using confocal fluorescence laser microscopy and ζ-potential measurements.

Unusual void galaxy DDO 68: implications of the HST-resolved photometry

NASA Astrophysics Data System (ADS)

Makarov, D. I.; Makarova, L. N.; Pustilnik, S. A.; Borisov, S. B.

2017-04-01

DDO 68 (UGC 5340) is an unusual dwarf galaxy with extremely low gas metallicity [12 + log (O/H) = 7.14] residing in the nearby Lynx-Cancer void. Despite its apparent isolation, it shows both optical and H I morphological evidence for strong tidal disturbance. Here, we study the resolved stellar populations of DDO 68 using deep images from the HST archive. We determined a distance of 12.75 ± 0.41 Mpc using the tip of the red giant branch (TRGB). The star formation history reconstruction reveals that about 60 per cent of stars formed during the initial period of star formation, about 12-14 Gyr ago. During the next 10 Gyr, DDO 68 was in the quenched state, with only slight traces of star formation. The onset of the most recent burst of star formation occurred about 300 Myr ago. We find that young populations with ages of several million to a few hundred million years are widely spread across various parts of DDO 68, indicating an intense star formation episode with a high mean rate of 0.15 M⊙ yr-1. A major fraction of the visible stars in the whole system (˜80 per cent) have low metallicities: Z = Z⊙/50-Z⊙/20. The properties of the northern periphery of DDO 68 can be explained by an ongoing burst of star formation induced by the minor merger of a small, gas-rich, extremely metal-poor galaxy with a more typical dwarf galaxy. The current TRGB-based distance of DDO 68 implies a total negative peculiar velocity of ≈500 km s-1.

Is There a Relation between Reticular Formation and Storage Symptoms in Men.

PubMed

Zorba, Orhan Ü; Kirbaş, Serkan; Uzun, Hakkı; Önem, Kadir; Çetinkaya, Mehmet; Rifaioğlu, Mehmet M

2014-01-01

To reveal brainstem originated pathology in men with different types of lower urinary tract symptoms blink reflex latency times were assessed. A total of 32 men, 16 with storage and 16 with voiding symptoms, were enrolled in the study. Blink reflex latency times were analyzed through electrical stimulation of the supraorbital nerve. Two responses in the orbicularis oculi muscle were recorded: the latency times for the early ipsilateral response, R1, and the late bilateral responses, R2. The mean ages of the patients with storage and voiding symptoms were 57.31 ± 6.87 and 58.06 ± 6.29 years, respectively. The R2 latency times were significantly longer in men with storage symptoms. However, the R1 latency times were similar for the two groups. Late blink latency times were long only in patients who had storage symptoms. An oligosynaptic path through the trigeminal nuclei, which includes one or two interneurons, is responsible for early response; however, late response is relayed through a polysynaptic path, including neurons in the reticular formation. It has also been shown that stimulation of the pontine reticular formation inhibits the micturition contraction. In some patients, storage symptoms may result from pathology that originates with the reticular formation and this pathology may lead to increases in late blink latency times. Additional studies are needed on other reflexes that are mediated through reticular formation, in order to show the possible dysfunction of the reticular formation in men with storage symptoms. © 2013 Wiley Publishing Asia Pty Ltd.

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

Moutanabbir, O.; Scholz, R.; Goesele, U.

We present a detailed study of the thermal evolution of H ion-induced vacancy related complexes and voids in bulk GaN implanted under ion-cut conditions. By using transmission electron microscopy, we found that the damage band in as-implanted GaN is decorated with a high density of nanobubbles of approx1-2 nm in diameter. Variable energy Doppler broadening spectroscopy showed that this band contains vacancy clusters and voids. In addition to vacancy clusters, the presence of V{sub Ga}, V{sub Ga}-H{sub 2}, and V{sub Ga}V{sub N} complexes was evidenced by pulsed low-energy positron lifetime spectroscopy. Subtle changes upon annealing in these vacancy complexes weremore » also investigated. As a general trend, a growth in open-volume defects is detected in parallel to an increase in both size and density of nanobubbles. The observed vacancy complexes appear to be stable during annealing. However, for temperatures above 450 deg. C, unusually large lifetimes were measured. These lifetimes are attributed to the formation of positronium in GaN. Since the formation of positronium is not possible in a dense semiconductor, our finding demonstrates the presence of sufficiently large open-volume defects in this temperature range. Based on the Tao-Eldrup model, the average lattice opening during thermal annealing was quantified. We found that a void diameter of 0.4 nm is induced by annealing at 600 deg. C. The role of these complexes in the subsurface microcracking is discussed.« less

Generalized Rate Theory for Void and Bubble Swelling and its Application to Delta-Plutonium

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

Allen, P. G.; Wall, M. A.; Wolfer, W. G.

2016-10-04

A rate theory for void and bubble swelling is derived that allows both vacancies and self-interstitial atoms to be generated by thermal activation at all sinks. In addition, they can also be produced by displacement damage from external and internal radiation. This generalized rate theory (GRT) is applied to swelling of gallium-stabilized δ-plutonium in which α-decay causes the displacement damage. Since the helium atoms produced also become trapped in vacancies, a distinction is made between empty and occupied vacancies. The growth of helium bubbles observed by transmission electron microscopy (TEM) in weapons-grade and in material enriched with Pu238 is analyzed,more » using different values for the formation energy of self-interstitial atoms (SIA) and two different sets of relaxation volumes for the vacancy and for the SIA. One set allows preferential capture of SIA at dislocations, while the other set gives equal preference to both vacancy and SIA. It is found that the helium bubble diameters observed are in better agreement with GRT predictions if no preferential capture occurs at dislocations. Therefore, helium bubbles in δ-plutonium will not evolve into voids. The helium density within the bubbles remains sufficiently high to cause thermal emission of SIA. Based on a helium density between two to three helium atoms per vacant site, the sum of formation and migration energies must be around 2.0 eV for SIA in δ-plutonium.« less

Endolithic algae and micrite envelope formation in Bahamian oolites as revealed by scanning electron microscopy.

NASA Technical Reports Server (NTRS)

Margolis, S.; Rex, R. W.

1971-01-01

Examination of Holocene Bahamian ooelites by scanning electron and light microscopy has revealed the morphology and orientation of aragonite crystals in the lamellar ooelitic envelope, and their modification by the boring activities of endolithic algae. The voids produced by these algae are found in progressive stages of being lined and filled with precipitated microcrystalline aragonite, which is similar to the process of micrite envelope formation in molluscan and other skeletal carbonate grains.

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

NASA Astrophysics Data System (ADS)

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

2005-05-01

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

Nanoparticle Control of Void Formation and Expansion in Polymeric and Composite Systems

DTIC Science & Technology

2007-02-01

facilities of GloCal Network Corporation, a Delaware legal entity with facilities in Seattle, Washington. The team succeeded at performing work in the State of...Delaware and Washington concurrently. After December 1, 2006, Professor Seferis and his team will continue the research, exclusively through GloCal

Theoretical Framework for Educational Assessment: A Synoptic Review

ERIC Educational Resources Information Center

Ghaicha, Abdallah

2016-01-01

At this age of accountability, it is acknowledged that assessment is a powerful lever that can either boost or undermine students' learning. Hitherto, much of the regular institutional and instructional practices show that assessments remain inhibitory or void rather than constructive as these lack the assessment formative aspect. This denotes…

Saturation meter

DOEpatents

Gregurech, S.

1984-08-01

A saturation meter for use in a pressurized water reactor plant comprising a differential pressure transducer having a first and second pressure sensing means and an alarm. The alarm is connected to the transducer and is preset to activate at a level of saturation prior to the formation of a steam void in the reactor vessel.

Effects of nitrogen incorporation in HfO(2) grown on InP by atomic layer deposition: an evolution in structural, chemical, and electrical characteristics.

PubMed

Kang, Yu-Seon; Kim, Dae-Kyoung; Kang, Hang-Kyu; Jeong, Kwang-Sik; Cho, Mann-Ho; Ko, Dae-Hong; Kim, Hyoungsub; Seo, Jung-Hye; Kim, Dong-Chan

2014-03-26

We investigated the effects of postnitridation on the structural characteristics and interfacial reactions of HfO2 thin films grown on InP by atomic layer deposition (ALD) as a function of film thickness. By postdeposition annealing under NH3 vapor (PDN) at 600 °C, an InN layer formed at the HfO2/InP interface, and ionized NHx was incorporated in the HfO2 film. We demonstrate that structural changes resulting from nitridation of HfO2/InP depend on the film thickness (i.e., a single-crystal interfacial layer of h-InN formed at thin (2 nm) HfO2/InP interfaces, whereas an amorphous InN layer formed at thick (>6 nm) HfO2/InP interfaces). Consequently, the tetragonal structure of HfO2 transformed into a mixture structure of tetragonal and monoclinic because the interfacial InN layer relieved interfacial strain between HfO2 and InP. During postdeposition annealing (PDA) in HfO2/InP at 600 °C, large numbers of oxidation states were generated as a result of interfacial reactions between interdiffused oxygen impurities and out-diffused InP substrate elements. However, in the case of the PDN of HfO2/InP structures at 600 °C, nitrogen incorporation in the HfO2 film effectively blocked the out-diffusion of atomic In and P, thus suppressing the formation of oxidation states. Accordingly, the number of interfacial defect states (Dit) within the band gap of InP was significantly reduced, which was also supported by DFT calculations. Interfacial InN in HfO2/InP increased the electron-barrier height to ∼0.6 eV, which led to low-leakage-current density in the gate voltage region over 2 V.

Study of nickel silicide formation by physical vapor deposition techniques

NASA Astrophysics Data System (ADS)

Pancharatnam, Shanti

Metal silicides are used as contacts to the highly n-doped emitter in photovoltaic devices. Thin films of nickel silicide (NiSi) are of particular interest for Si-based solar cells, as they form at lower temperature and consume less silicon. However, interfacial oxide limits the reduction in sheet resistance. Hence, different diffusion barriers were investigated with regard to optimizing the conductivity and thermal stability. The formation of NiSi, and if it can be doped to have good contact with the n-side of a p-n junction were studied. Reduction of the interfacial oxide by the interfacial Ti layer to allow the formation of NiSi was observed. Silicon was treated in dilute hydrofluoric acid for removing the surface oxide layer. Ni and a Ti diffusion barrier were deposited on Si by physical vapor deposition (PVD) methods - electron beam evaporation and sputtering. The annealing temperature and time were varied to observe the stability of the deposited film. The films were then etched to observe the retention of the silicide. Characterization was done using scanning electron microscopy (SEM), Auger electron spectroscopy (AES) and Rutherford back scattering (RBS). Sheet resistance was measured using the four-point probe technique. Annealing temperatures from 300°C showed films began to agglomerate indicating some diffusion between Ni and Si in the Ti layer, also supported by the compositional analysis in the Auger spectra. Films obtained by evaporation and sputtering were of high quality in terms of coverage over substrate area and uniformity. Thicknesses of Ni and Ti were optimized to 20 nm and 10 nm respectively. Resistivity was low at these thicknesses, and reduced by about half post annealing at 300°C for 8 hours. Thus a low resistivity contact was obtained at optimized thicknesses of the metal layers. It was also shown that some silicide formation occurs at temperatures starting from 300°C and can thus be used to make good silicide contacts.

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

PubMed

Momeni, Kasra; Levitas, Valery I

2016-04-28

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

Interfacial Structures of Trihexyltetradecylphosphonium-bis(mandelato)borate Ionic Liquid Confined between Gold Electrodes.

PubMed

Wang, Yong-Lei; Golets, Mikhail; Li, Bin; Sarman, Sten; Laaksonen, Aatto

2017-02-08

Atomistic molecular dynamics simulations have been performed to study microscopic the interfacial ionic structures, molecular arrangements, and orientational preferences of trihexyltetradecylphosphonium-bis(mandelato)borate ([P 6,6,6,14 ][BMB]) ionic liquid confined between neutral and charged gold electrodes. It was found that both [P 6,6,6,14 ] cations and [BMB] anions are coabsorbed onto neutral electrodes at different temperatures. The hexyl and tetradecyl chains in [P 6,6,6,14 ] cations lie preferentially flat on neutral electrodes. The oxalato and phenyl rings in [BMB] anions are characterized by alternative parallel-perpendicular orientations in the mixed innermost ionic layer adjacent to neutral electrodes. An increase in temperature has a marginal effect on the interfacial ionic structures and molecular orientations of [P 6,6,6,14 ][BMB] ionic species in a confined environment. Electrifying gold electrodes leads to peculiar changes in the interfacial ionic structures and molecular orientational arrangements of [P 6,6,6,14 ] cations and [BMB] anions in negatively and positively charged gold electrodes, respectively. As surface charge density increases (but lower than 20 μC/cm 2 ), the layer thickness of the mixed innermost interfacial layer gradually increases due to a consecutive accumulation of [P 6,6,6,14 ] cations and [BMB] anions at negatively and positively charged electrodes, respectively, before the formation of distinct cationic and anionic innermost layers. Meanwhile, the molecular orientations of two oxalato rings in the same [BMB] anions change gradually from a parallel-perpendicular feature to being partially characterized by a tilted arrangement at an angle of 45° from the electrodes and finally to a dominant parallel coordination pattern along positively charged electrodes. Distinctive interfacial distribution patterns are also observed accordingly for phenyl rings that are directly connected to neighboring oxalato rings in [BMB] anions.

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

PubMed

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

2016-07-01

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

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

PubMed

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

2001-12-15

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

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

PubMed

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

2017-12-01

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

Interfacial Reaction and IMC Growth of an Ultrasonically Soldered Cu/SAC305/Cu Structure during Isothermal Aging

PubMed Central

Long, Weifeng; Hu, Xiaowu; Fu, Yanshu

2018-01-01

In order to accelerate the growth of interfacial intermetallic compound (IMC) layers in a soldering structure, Cu/SAC305/Cu was first ultrasonically spot soldered and then subjected to isothermal aging. Relatively short vibration times, i.e., 400 ms and 800 ms, were used for the ultrasonic soldering. The isothermal aging was conducted at 150 °C for 0, 120, 240, and 360 h. The evolution of microstructure, the IMC layer growth mechanism during aging, and the shear strength of the joints after aging were systemically investigated. Results showed the following. (i) Formation of intermetallic compounds was accelerated by ultrasonic cavitation and streaming effects, the thickness of the interfacial Cu6Sn5 layer increased with aging time, and a thin Cu3Sn layer was identified after aging for 360 h. (ii) The growth of the interfacial IMC layer of the ultrasonically soldered Cu/SAC305/Cu joints followed a linear function of the square root of the aging time, revealing a diffusion-controlled mechanism. (iii) The tensile shear strength of the joint decreased to a small extent with increasing aging time, owing to the combined effects of IMC grain coarsening and the increase of the interfacial IMC. (iv) Finally, although the fracture surfaces and failure locations of the joint soldered with 400 ms and 800 ms vibration times show similar characteristics, they are influenced by the aging time. PMID:29316625

Effect of Preferential Orientation of Lamellae in the Interfacial Region between a Block Copolymer-based Pressure-Sensitive Adhesive and a Solid Substrate on the Peel Strength.

PubMed

Shimokita, Keisuke; Saito, Itsuki; Yamamoto, Katsuhiro; Takenaka, Mikihito; Yamada, Norifumi L; Miyazaki, Tsukasa

2018-02-27

We have investigated the relationship between the peel strength of a block copolymer-based pressure-sensitive adhesive comprising of poly(methyl methacrylate) (PMMA) and poly(n-butyl acrylate) (PnBA) components from the substrate and the microdomain orientations in the interfacial region between the adhesive and the substrate. For the PMMA substrate, the PMMA component in the adhesive with a strong affinity for the substrate is attached to the surface of the substrate during an aging process of the sample at 140 °C. Next, the PMMA layer adjacent to the substrate surface is overlaid with a PnBA layer, which gets covalently connected, resulting in the horizontal alignment of the lamellae in the interfacial region. The peel strength of the adhesive substantially increases during aging at 140 °C, which takes the same time as the completion of the horizontally oriented lamellar structure. However, in the case of the polystyrene (PS) substrate, both the components in the adhesive repel the substrate, leading to the formation of the vertically oriented lamellar structure. As a result, the peel strength of the adhesive with respect to its PS substrate does not entirely increase on aging. It is suggested that the peel strength of the adhesive is highly correlated with the interfacial energy between the adhesive and substrate, which can be estimated from the microdomain orientation in the interfacial region.

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

PubMed

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

2016-01-28

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

CH4 Hydrate Formation between Silica and Graphite Surfaces: Insights from Microsecond Molecular Dynamics Simulations.

PubMed

He, Zhongjin; Linga, Praveen; Jiang, Jianwen

2017-10-31

Microsecond simulations have been performed to investigate CH 4 hydrate formation from gas/water two-phase systems between silica and graphite surfaces, respectively. The hydrophilic silica and hydrophobic graphite surfaces exhibit substantially different effects on CH 4 hydrate formation. The graphite surface adsorbs CH 4 molecules to form a nanobubble with a flat or negative curvature, resulting in a low aqueous CH 4 concentration, and hydrate nucleation does not occur during 2.5 μs simulation. Moreover, an ordered interfacial water bilayer forms between the nanobubble and graphite surface thus preventing their direct contact. In contrast, the hydroxylated-silica surface prefers to be hydrated by water, with a cylindrical nanobubble formed in the solution, leading to a high aqueous CH 4 concentration and hydrate nucleation in the bulk region; during hydrate growth, the nanobubble is gradually covered by hydrate solid and separated from the water phase, hence slowing growth. The silanol groups on the silica surface can form strong hydrogen bonds with water, and hydrate cages need to match the arrangements of silanols to form more hydrogen bonds. At the end of the simulation, the hydrate solid is separated from the silica surface by liquid water, with only several cages forming hydrogen bonds with the silica surface, mainly due to the low CH 4 aqueous concentrations near the surface. To further explore hydrate formation between graphite surfaces, CH 4 /water homogeneous solution systems are also simulated. CH 4 molecules in the solution are adsorbed onto graphite and hydrate nucleation occurs in the bulk region. During hydrate growth, the adsorbed CH 4 molecules are gradually converted into hydrate solid. It is found that the hydrate-like ordering of interfacial water induced by graphite promotes the contact between hydrate solid and graphite. We reveal that the ability of silanol groups on silica to form strong hydrogen bonds to stabilize incipient hydrate solid, as well as the ability of graphite to adsorb CH 4 molecules and induce hydrate-like ordering of the interfacial water, are the key factors to affect CH 4 hydrate formation between silica and graphite surfaces.

Bioinspired Materials for Controlling Ice Nucleation, Growth, and Recrystallization.

PubMed

He, Zhiyuan; Liu, Kai; Wang, Jianjun

2018-05-15

Ice formation, mainly consisting of ice nucleation, ice growth, and ice recrystallization, is ubiquitous and crucial in wide-ranging fields from cryobiology to atmospheric physics. Despite active research for more than a century, the mechanism of ice formation is still far from satisfactory. Meanwhile, nature has unique ways of controlling ice formation and can provide resourceful avenues to unravel the mechanism of ice formation. For instance, antifreeze proteins (AFPs) protect living organisms from freezing damage via controlling ice formation, for example, tuning ice nucleation, shaping ice crystals, and inhibiting ice growth and recrystallization. In addition, AFP mimics can have applications in cryopreservation of cells, tissues, and organs, food storage, and anti-icing materials. Therefore, continuous efforts have been made to understand the mechanism of AFPs and design AFP inspired materials. In this Account, we first review our recent research progress in understanding the mechanism of AFPs in controlling ice formation. A Janus effect of AFPs on ice nucleation was discovered, which was achieved via selectively tethering the ice-binding face (IBF) or the non-ice-binding face (NIBF) of AFPs to solid surfaces and investigating specifically the effect of the other face on ice nucleation. Through molecular dynamics (MD) simulation analysis, we observed ordered hexagonal ice-like water structure atop the IBF and disordered water structure atop the NIBF. Therefore, we conclude that the interfacial water plays a critical role in controlling ice formation. Next, we discuss the design and fabrication of AFP mimics with capabilities in tuning ice nucleation and controlling ice shape and growth, as well as inhibiting ice recrystallization. For example, we tuned ice nucleation via modifying solid surfaces with supercharged unfolded polypeptides (SUPs) and polyelectrolyte brushes (PBs) with different counterions. We found graphene oxide (GO) and oxidized quasi-carbon nitride quantum dots (OQCNs) had profound effects in controlling ice shape and inhibiting ice growth. We also studied the ion-specific effect on ice recrystallization inhibition (IRI) with a large variety of anions and cations. All functionalities are achieved by tuning the properties of interfacial water on these materials, which reinforces the importance of the interfacial water in controlling ice formation. Finally, we review the development of novel application-oriented materials emerging from our enhanced understanding of ice formation, for example, ultralow ice adhesion coatings with aqueous lubricating layer, cryopreservation of cells by inhibiting ice recrystallization, and two-dimensional (2D) and three-dimensional (3D) porous materials with tunable pore sizes through recrystallized ice crystal templates. This Account sheds new light on the molecular mechanism of ice formation and will inspire the design of unprecedented functional materials based on controlled ice formation.

Investigations of the structure and "interfacial" surface chemistry of Bioglass (RTM) materials by solid-state multinuclear NMR spectroscopy

NASA Astrophysics Data System (ADS)

Sarkar, Gautam

Bioactive materials such as BioglassRTM 45S5 (45% SiO 2, 24.5% CaO, 24.5% Na2O, and 6% P2O5 by weight) are sodium-phosphosilicate glasses containing independent three-dimensional silicate and phosphate networks and Na+ and Ca2+ ions as modifying cations. Due to their bioactivity, these materials are currently used as implants and for other surgical and clinical applications. The bioactivity of BioglassesRTM is due to their unique capability to form chemical bonds to tissues through an octacalciumphosphate (OCP)- and/or hydroxyapatite-like (HA) "interfacial" matrix. The formation of OCP and/or HA is preceded by the formation of a silica-rich surface layer and the subsequent growth of an amorphous calcium phosphate (a-CP) layer. Structural characterization of a series of commercial and synthesized Bioglass materials 45S5 52S, 55S, 60S, and synthesized 17O-labelled "Bioglass materials 45S, 52S, 55S and 60S" have been obtained using solid-state single-pulse magic-angle spinning (SP/MAS) 17O, 23Na, 29Si and 31P NMR. The 17O NMR isotropic chemical shifts and estimates of the quadrupole coupling constants (Cq) [at fixed asymmetry parameter ( hQ ) values of zero] have been obtained from solid-state spin-echo 17O SP/MAS NMR spectra of 17O-labelled "Bioglasses". The simulation results of these spectra reveal the presence of both bridging-oxygens (BO, i.e. ≡ Si-17OSi ≡ ) and non-bridging oxygens (NBO, i.e. ≡ Si-17O-Na+/Ca2+ ) in the silicate networks in these materials. 17O NMR spectra of these Bioglass materials do not show any direct evidence for the presence of BO and NBO atoms in the phosphate units; however, they are expected to be present in small amounts. In vitro reactions of BioglassRTM 45S5, 60S and 77S powders have been used to study the "interfacial" surface chemistry of these materials in simulated body-fluid (SBF, Kyoto or K9 solution) and/or 17O-enriched tris-buffer solution. 29Si and 31P SP/MAS NMR have been used to identify and quantify the extent of formation of surface silica species and follow the formation of phosphate species, respectively, while cross-polarization magic-angle spinning (CP/MAS) 29Si and 31P NMR have provided information about low intensity NMR peaks due to various silicon- and phosphorus-species present in the vicinity of associated protons on the surface of in vitro reacted BioglassRTM materials. The solid-state NMR investigations of the "interfacial" surface reactions of BioglassRTM materials are discussed in the context of the structure of these materials and the influence of this structure on the kinetics and the mechanism of their "interfacial" surface chemistry. (Abstract shortened by UMI.) BioglassRTM, trademark, University of Florida, Gainesville, FL, 32611.

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

PubMed

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

2013-08-01

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

First-principles study on influence of molybdenum on acicular ferrite formation on TiC particles in microallyed steels

NASA Astrophysics Data System (ADS)

Hua, Guomin; Li, Changsheng; Cheng, Xiaonong; Zhao, Xinluo; Feng, Quan; Li, Zhijie; Li, Dongyang; Szpunar, Jerzy A.

2018-01-01

In this study, influences of molybdenum on acicular ferrite formation on precipitated TiC particles are investigated from thermodynamic and kinetic respects. In thermodynamics, Segregation of Mo towards austenite/TiC interface releases the interfacial energy and induces phase transformation from austenite to acicular ferrite on the precipitated TiC particles. The Phase transformation can be achieved by displacive deformation along uniaxial Bain path. In addition, the segregation of Mo atom will also lead to the enhanced stability of ferrite in comparison with austenite no matter at low temperature or at high temperature. In kinetics, the Mo solute in acicular ferrite can effectively suppress the diffusion of carbon atoms, which ensures that orientation relationship between acicular ferrite and austenitized matrix can be satisfied during the diffusionless phase transformation. In contrast to ineffectiveness of TiC particles, the alloying Mo element can facilitate the formation of acicular ferrite on precipitated TiC particles, which is attributed to the above thermodynamic and kinetic reasons. Furthermore, Interfacial toughness and ductility of as-formed acicular ferrite/TiC interface can be improved simultaneously by segregation of Mo atom.

A New Route to Liposil Formation by an Interfacial Sol-Gel Process Confined by Lipid Bilayer.

PubMed

Shen, Shukun; Yang, Lu; Lu, Yaxing; Chen, Jian-Gang; Song, Shaofei; Hu, Daodao; Parikh, Atul

2015-11-18

We report a new and simple approach to prepare a class of silica-reinforced liposomes with hybrid core-shell nanostructures. The amphiphilic natural structure of lipids was exploited to sequester hydrophobic molecules, namely precursor TEOS and pyrene, in the hydrophobic midplane of liposomal bilayer assemblies in the aqueous phase. Subsequent interfacial hydrolysis of TEOS at the bilayer/water interface and ensuing condensation within the hydrophobic interstices of the lipid bilayer drives silica formation in situ, producing a novel class of silica-lipid hybrid liposils. Structural characterization by scanning- and transmission electron microscopy confirm that the liposils so generated preserve closed topologies and size-monodipersity of the parent lecithin liposomes, and DSC-TGA and XRD measurements provide evidence for the silica coating. Monitoring fluorescence measurements using embedded pyrene yield detailed information on microenvironment changes, which occur during sol-gel process and shed light on the structural evolution during silica formation. We envisage that liposils formed by this simple, new approach, exploiting the hydrophobic core of the lipid bilayer to spatially localize silica-forming precursors enables preparation of stable liposils exhibiting capacity for cargo encapsulation, bicompatibility, and fluorescence monitoring, more generally opening a window for construction of stable, functional hybrid materials.

Energetics of the formation of Cu-Ag core–shell nanoparticles

DOE PAGES

Chandross, Michael

2014-10-06

Our work presents molecular dynamics and Monte Carlo simulations aimed at developing an understanding of the formation of core–shell Cu-Ag nanoparticles. The effects of surface and interfacial energies were considered and used to form a phenomenological model that calculates the energy gained upon the formation of a core–shell structure from two previously distinct, non-interacting nanoparticles. In most cases, the core–shell structure was found to be energetically favored. Specifically, the difference in energy as a function of the radii of the individual Cu and Ag particles was examined, with the assumption that a core–shell structure forms. In general, it was foundmore » that the energetic gain from forming such a structure increased with increasing size of the initial Ag particle. This result was interpreted as a result of the reduction in surface energy. Moreover, for two separate particles, both Cu and Ag contribute to the surface energy; however, for a core–shell structure, the only contribution to the surface energy is from the Ag shell and the Cu contribution is changed to a Cu–Ag interfacial energy, which is always smaller.« less

Synthesis and characterization of self-assembled monolayers on gold generated from partially fluorinated alkanethiols and aliphatic dithiocarboxylic acids

NASA Astrophysics Data System (ADS)

Colorado, Ramon, Jr.

The formation of novel self-assembled monolayers (SAMs) on gold from the adsorption of four distinct series of partially fluorinated alkanethiols (PFAs) and one series of chelating aliphatic dithiocarboxylic acids (ADTCAs) is reported. The SAMs were characterized by optical ellipsometry, contact angle goniometry, polarization modulation infrared absorption spectroscopy (PM-IRRAS), and X-ray photoelectron spectroscopy (XPS). The results for the PFA SAMs provided evidence for both the importance of oriented surface dipoles in influencing interfacial wettabilities and the significance of the degree of fluorination of the PFAs in determining the dispersive interfacial energies of the films. In addition, a series of PFA SAMs was used to demonstrate that the attenuation lengths of photoelectrons in fluorocarbon films are indistinguishable from those in hydrocarbon films. The results for the ADTCA SAMs demonstrated that the use of a chelating headgroup induces structural changes within the monolayers that influence the interfacial properties of the films.

Local epitaxial growth of ZrO2 on Ge (100) substrates by atomic layer epitaxy

NASA Astrophysics Data System (ADS)

Kim, Hyoungsub; Chui, Chi On; Saraswat, Krishna C.; McIntyre, Paul C.

2003-09-01

High-k dielectric deposition processes for gate dielectric preparation on Si surfaces usually result in the unavoidable and uncontrolled formation of a thin interfacial oxide layer. Atomic layer deposition of ˜55-Å ZrO2 film on a Ge (100) substrate using ZrCl4 and H2O at 300 °C was found to produce local epitaxial growth [(001) Ge//(001) ZrO2 and [100] Ge//[100] ZrO2] without a distinct interfacial layer, unlike the situation observed when ZrO2 is deposited using the same method on Si. Relatively large lattice mismatch (˜10%) between ZrO2 and Ge produced a high areal density of interfacial misfit dislocations. Large hysteresis (>200 mV) and high frequency dispersion were observed in capacitance-voltage measurements due to the high density of interface states. However, a low leakage current density, comparable to values obtained on Si substrates, was observed with the same capacitance density regardless of the high defect density.

Wetting and Interfacial Reactivity of Zn-Coated Steel Products with Cu-Si, Cu-Sn and Al-Si Filler Metals for Laser Brazing Application

NASA Astrophysics Data System (ADS)

Koltsov, Alexey; Cretteur, Laurent

2018-03-01

The laser brazing process is successfully applied in automotive industry for joining of roofs and hatchbacks of vehicles. The bad wetting of the brazing alloy during the process can lead to the formation of random external porosities which are not allowed on visible parts. This paper describes the wettability and reactivity mechanisms at short contact time of Cu and Al matrix brazing alloys with different reactive elements (Si, Sn) on different steel products such as hot-dip galvanized steels, galvannealed steel and bare steel. Wetting experiments were carried out by the dispensed drop technique. The effects of alloying elements and brazing alloy matrix on interfacial reactivity are discussed. It was found that Cu matrix containing 3 wt.% Si is the most favorable for short time liquid/solid adhesion relatively to the other studied brazing alloy compositions. The brazing ability of different steel products is well correlated with the wettability and interfacial reactivity results.

Interfacial oxygen migration and its effect on the magnetic anisotropy in Pt/Co/MgO/Pt films

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

Chen, Xi; Feng, Chun, E-mail: fengchun@ustb.edu.cn, E-mail: ghyu@mater.ustb.edu.cn; Liu, Yang

2014-02-03

This paper reports the interfacial oxygen migration effect and its induced magnetic anisotropy evolution in Pt/Co/MgO/Pt films. During depositing the MgO layer, oxygen atoms from the MgO combine with the neighboring Co atoms, leading to the formation of CoO at the Co/MgO interface. Meanwhile, the films show in-plane magnetic anisotropy (IMA). After annealing, most of the oxygen atoms in CoO migrate back to the MgO layer, resulting in obvious improvement of Co/MgO interface and the enhancement of effective Co-O orbital hybridization. These favor the evolution of magnetic anisotropy from IMA to perpendicular magnetic anisotropy (PMA). The oxygen migration effect ismore » achieved by the redox reaction at the Co/MgO interface. On the contrary, the transfer from IMA to PMA cannot be observed in Pt/Co/Pt films due to the lack of interfacial oxygen migration.« less

Surface-interface exploration of Mg deposited on Si(100) and oxidation effect on interfacial layer

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

Sarpi, B.; Daineche, R.; Girardeaux, C.

Using scanning tunneling microscopy and spectroscopy, Auger electron spectroscopy, and low energy electron diffraction, we have studied the growth of Mg deposited on Si(100)-(2 × 1). Coverage from 0.05 monolayer (ML) to 3 ML was investigated at room temperature. The growth mode of the magnesium is a two steps process. At very low coverage, there is formation of an amorphous ultrathin silicide layer with a band gap of 0.74 eV, followed by a layer-by-layer growth of Mg on top of this silicide layer. Topographic images reveal that each metallic Mg layer is formed by 2D islands coalescence process on top of the silicidemore » interfacial layer. During oxidation of the Mg monolayer, the interfacial silicide layer acts as diffusion barrier for the oxygen atoms with a decomposition of the silicide film to a magnesium oxide as function of O{sub 2} exposure.« less

Graphene Oxide-Polymer Composite Langmuir Films Constructed by Interfacial Thiol-Ene Photopolymerization

NASA Astrophysics Data System (ADS)

Luo, Xiaona; Ma, Kai; Jiao, Tifeng; Xing, Ruirui; Zhang, Lexin; Zhou, Jingxin; Li, Bingbing

2017-02-01

The effective synthesis and self-assembly of graphene oxide (GO) nanocomposites are of key importance for a broad range of nanomaterial applications. In this work, a one-step chemical strategy is presented to synthesize stable GO-polymer Langmuir composite films by interfacial thiol-ene photopolymerization at room temperature, without use of any crosslinking agents and stabilizing agents. It is discovered that photopolymerization reaction between thiol groups modified GO sheets and ene in polymer molecules is critically responsible for the formation of the composite Langmuir films. The film formed by Langmuir assembly of such GO-polymer composite films shows potential to improve the mechanical and chemical properties and promotes the design of various GO-based nanocomposites. Thus, the GO-polymer composite Langmuir films synthesized by interfacial thiol-ene photopolymerization with such a straightforward and clean manner, provide new alternatives for developing chemically modified GO-based hybrid self-assembled films and nanomaterials towards a range of soft matter and graphene applications.

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

PubMed

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

2017-02-15

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

Complex supramolecular interfacial tessellation through convergent multi-step reaction of a dissymmetric simple organic precursor

NASA Astrophysics Data System (ADS)

Zhang, Yi-Qi; Paszkiewicz, Mateusz; Du, Ping; Zhang, Liding; Lin, Tao; Chen, Zhi; Klyatskaya, Svetlana; Ruben, Mario; Seitsonen, Ari P.; Barth, Johannes V.; Klappenberger, Florian

2018-03-01

Interfacial supramolecular self-assembly represents a powerful tool for constructing regular and quasicrystalline materials. In particular, complex two-dimensional molecular tessellations, such as semi-regular Archimedean tilings with regular polygons, promise unique properties related to their nontrivial structures. However, their formation is challenging, because current methods are largely limited to the direct assembly of precursors, that is, where structure formation relies on molecular interactions without using chemical transformations. Here, we have chosen ethynyl-iodophenanthrene (which features dissymmetry in both geometry and reactivity) as a single starting precursor to generate the rare semi-regular (3.4.6.4) Archimedean tiling with long-range order on an atomically flat substrate through a multi-step reaction. Intriguingly, the individual chemical transformations converge to form a symmetric alkynyl-Ag-alkynyl complex as the new tecton in high yields. Using a combination of microscopy and X-ray spectroscopy tools, as well as computational modelling, we show that in situ generated catalytic Ag complexes mediate the tecton conversion.

Formation of interfacial compounds and the effects on stripping behaviors of a cold-sprayed Zn-Al coating on interstitial-free steel

NASA Astrophysics Data System (ADS)

Liang, Y. L.; Wang, Z. B.; Zhang, J. B.; Lu, K.

2015-06-01

By means of cold spray, a Zn-Al coating was successfully deposited on an interstitial-free (IF) steel sheet. The formation of interfacial compounds between the coating and the IF steel was studied during diffusion annealing at 400 °C. And its correlations with the stripping behaviors of the coating were investigated by using a three-point bending method. The results showed that Fe-Zn and Fe-Al-Zn compounds begin to form at the coating/substrate interface after an annealing duration of 60 min, and the stripping resistance increases slightly before that duration and then decreases significantly by further increasing annealing duration. The enhanced stripping resistance at the earlier stage might be due to the modifications of microstructure and deformation compatibility of the sprayed coating, while the decreased stripping resistance at the later stage is related to the high stress concentration at the interface of the formed brittle Fe-Al-Zn phase and the Zn-Al coating.

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

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

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

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

Films of Bacteria at Interfaces (FBI): Remodeling of Fluid Interfaces by Pseudomonas aeruginosa.

PubMed

Niepa, Tagbo H R; Vaccari, Liana; Leheny, Robert L; Goulian, Mark; Lee, Daeyeon; Stebe, Kathleen J

2017-12-19

Bacteria at fluid interfaces endure physical and chemical stresses unique to these highly asymmetric environments. The responses of Pseudomonas aeruginosa PAO1 and PA14 to a hexadecane-water interface are compared. PAO1 cells form elastic films of bacteria, excreted polysaccharides and proteins, whereas PA14 cells move actively without forming an elastic film. Studies of PAO1 mutants show that, unlike solid-supported biofilms, elastic interfacial film formation occurs in the absence of flagella, pili, or certain polysaccharides. Highly induced genes identified in transcriptional profiling include those for putative enzymes and a carbohydrate metabolism enzyme, alkB2; this latter gene is not upregulated in PA14 cells. Notably, PAO1 mutants lacking the alkB2 gene fail to form an elastic layer. Rather, they form an active film like that formed by PA14. These findings demonstrate that genetic expression is altered by interfacial confinement, and suggest that the ability to metabolize alkanes may play a role in elastic film formation at oil-water interfaces.

Defect-free erbium silicide formation using an ultrathin Ni interlayer.

PubMed

Choi, Juyun; Choi, Seongheum; Kang, Yu-Seon; Na, Sekwon; Lee, Hoo-Jeong; Cho, Mann-Ho; Kim, Hyoungsub

2014-08-27

An ultrathin Ni interlayer (∼1 nm) was introduced between a TaN-capped Er film and a Si substrate to prevent the formation of surface defects during thermal Er silicidation. A nickel silicide interfacial layer formed at low temperatures and incurred uniform nucleation and the growth of a subsequently formed erbium silicide film, effectively inhibiting the generation of recessed-type surface defects and improving the surface roughness. As a side effect, the complete transformation of Er to erbium silicide was somewhat delayed, and the electrical contact property at low annealing temperatures was dominated by the nickel silicide phase with a high Schottky barrier height. After high-temperature annealing, the early-formed interfacial layer interacted with the growing erbium silicide, presumably forming an erbium silicide-rich Er-Si-Ni mixture. As a result, the electrical contact property reverted to that of the low-resistive erbium silicide/Si contact case, which warrants a promising source/drain contact application for future high-performance metal-oxide-semiconductor field-effect transistors.

Membrane rafts stabilized by chiral liquid crystal correction to bare interfacial tension

NASA Astrophysics Data System (ADS)

Kang, Louis; Lubensky, T. C.

Lipid rafts are hypothesized to facilitate protein interaction, tension regulation, and trafficking in biological membranes, but the mechanisms responsible for their formation and maintenance are not clear. Recently, experiments showed that bidisperse mixtures of filamentous viruses can self-assemble into colloidal monolayers with thermodynamically stable rafts that exhibit chiral structure and repulsive interactions. We quantitatively explain these observations by modeling the membrane particles as chiral liquid crystals. Chiral twist promotes the formation of finite-sized rafts by decreasing the effective interfacial tension between rafts and background membrane. It also mediates a repulsion that distributes rafts evenly throughout the membrane. Although this system is composed of filamentous viruses whose aggregation is entropically driven by dextran depletants instead of phospholipids and cholesterol with prominent electrostatic interactions, colloidal and biological membranes share many of the same physical symmetries. Chiral twist can contribute to the behavior of both systems and may account for certain stereospecific effects observed in molecular membranes.

Mathematical modeling of the process of filling a mold during injection molding of ceramic products

NASA Astrophysics Data System (ADS)

Kulkov, S. N.; Korobenkov, M. V.; Bragin, N. A.

2015-10-01

Using the software package Fluent it have been predicted of the filling of a mold in injection molding of ceramic products is of great importance, because the strength of the final product is directly related to the presence of voids in the molding, making possible early prediction of inaccuracies in the mold prior to manufacturing. The calculations were performed in the formulation of mathematical modeling of hydrodynamic turbulent process of filling a predetermined volume of a viscous liquid. The model used to determine the filling forms evaluated the influence of density and viscosity of the feedstock, and the injection pressure on the mold filling process to predict the formation of voids in the area caused by the shape defect geometry.

The spatial distribution of dwarf galaxies in the CfA slice of the universe

NASA Technical Reports Server (NTRS)

Thuan, Trinh X.; Gott, J. Richard, III; Schneider, Stephen E.

1987-01-01

A complete (with the the exception of one) redshift sample of 58 galaxies in the Nilson catalog classified as dwarf, irregular, or Magellanic irregular is used to investigate the large-scale clustering properties of these low-surface brightness galaxies in the CfA slice of the universe (alpha in the range of 8-17 h, delta in the range of 26.5-32.5 deg). It is found that the low-surface brightness dwarf galaxies also lie on the structures delineated by the high-surface brightness normal galaxies and that they do not fill in the voids. This is inconsistent with a class of biased galaxy formation theories which predict that dwarf galaxies should be present everywhere, including the voids.

Early stage of plastic deformation in thin films undergoing electromigration

NASA Astrophysics Data System (ADS)

Valek, B. C.; Tamura, N.; Spolenak, R.; Caldwell, W. A.; MacDowell, A. A.; Celestre, R. S.; Padmore, H. A.; Bravman, J. C.; Batterman, B. W.; Nix, W. D.; Patel, J. R.

2003-09-01

Electromigration occurs when a high current density drives atomic motion from the cathode to the anode end of a conductor, such as a metal interconnect line in an integrated circuit. While electromigration eventually causes macroscopic damage, in the form of voids and hillocks, the earliest stage of the process when the stress in individual micron-sized grains is still building up is largely unexplored. Using synchrotron-based x-ray microdiffraction during an in-situ electromigration experiment, we have discovered an early prefailure mode of plastic deformation involving preferential dislocation generation and motion and the formation of a subgrain structure within individual grains of a passivated Al (Cu) interconnect. This behavior occurs long before macroscopic damage (hillocks and voids) is observed.

Fabrication of Cu-Ni mixed phase layer using DC electroplating and suppression of Kirkendall voids in Sn-Ag-Cu solder joints

NASA Astrophysics Data System (ADS)

Chee, Sang-Soo; Lee, Jong-Hyun

2014-05-01

A solderable layer concurrently containing Cu-rich and Ni-rich phases (mixed-phase layer, MPL) was fabricated by direct current electroplating under varying process conditions. Current density was considered as the main parameter to adjust the microstructure and composition of MPL during the electroplating process, and deposit thickness were evaluated as functions of plating time. As a result, it was observed that the coral-like structure that consisted of Cu-rich and Ni-rich phases grew in the thickness direction. The most desirable microstructure was obtained at a relatively low current density of 0.4 mA/cm2. In other words, the surface was the smoothest and defect-free at this current density. The electroplating rate was slightly enhanced with an increase in current density. Investigations of its solid-state reaction properties, including the formation of Kirkendall voids, were also carried out after reflow soldering with Sn-3.0 Ag-0.5 Cu solder balls. In the solid-state aging experiment at 125°C, Kirkendall voids at the normal Sn-3.0 Ag-0.5 Cu solder/Cu interface were easily formed after just 240 h. Meanwhile, the presence of an intermetallic compound (IMC) layer created in the solder/MPL interface indicated a slightly lower growth rate, and no Kirkendall voids were observed in the IMC layer even after 720 h.

Radiation-induced swelling of stainless steel.

PubMed

Shewmon, P G

1971-09-10

Significant swelling (1 to 10 percent due to small voids have been found in stainless steel when it is exposed to fast neutron doses less than expected in commercial fast breeder reactors. The main features of this new effect are: (i) the voids are formed by the precipitation of a small fraction of the radiation-produced vacancies; (ii) the voids form primarily in the temperature range 400 degrees to 600 degrees C (750 degrees to 1100 degrees F); and (iii) the volume increases with dose (fluence) at a rate between linear and parabolic. The limited temperature range of void formation can be explained, but the effects of fluence, microstructure, and composition are determined by a competition between several kinetic processes that are not well understood. This swelling does not affect the feasibility or safety of the breeder reactor,but will have a significant impact on the core design and economics of the breeder.Preliminary results indicate that one cannot eliminate the effect,but cold-working,heat treatment, or small changes in composition can reduce the swelling by a factor of 2 or more. Testing is hampered by the fact that several years in EBR-II are required to accumulate the fluence expected in demonstration plants. Heavyion accelerators,which allow damage rates corresponding to much higher fluxes than those found in EBR-II,hold great promise for short-term tests that will indicate the relative effect of the important variables.

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

Baidakov, Vladimir G., E-mail: baidakov@itp.uran.ru; Tipeev, Azat O.

The method of molecular dynamics simulation has been used to investigate the phase decay of a metastable Lennard-Jones face-centered cubic crystal at positive and negative pressures. It is shown that at high degrees of metastability, crystal decay proceeds through the spontaneous formation and growth of new-phase nuclei. It has been found that there exists a certain boundary temperature. Below this temperature, the crystal phase disintegrates as the result of formation of voids, and above, as a result of formation of liquid droplets. The boundary temperature corresponds to the temperature of cessation of a crystal–liquid phase equilibrium when the melting linemore » comes in contact with the spinodal of the stretched liquid. The results of the simulations are interpreted in the framework of classical nucleation theory. The thermodynamics of phase transitions in solids has been examined with allowance for the elastic energy of stresses arising owing to the difference in the densities of the initial and the forming phases. As a result of the action of elastic forces, at negative pressures, the boundary of the limiting superheating (stretching) of a crystal approaches the spinodal, on which the isothermal bulk modulus of dilatation becomes equal to zero. At the boundary of the limiting superheating (stretching), the shape of liquid droplets and voids is close to the spherical one.« less

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

Guttman, Shani; Sapir, Zvi; Ocko, Benjamin M.

Recent extensive studies reveal that surfactant-stabilized spherical alkane emulsion droplets spontaneously adopt polyhedral shapes upon cooling below a temperature T d while remaining liquid. Further cooling induces the growth of tails and spontaneous droplet splitting. Two mechanisms were offered to account for these intriguing effects. One assigns the effects to the formation of an intradroplet frame of tubules consisting of crystalline rotator phases with cylindrically curved lattice planes. The second assigns the sphere-to-polyhedron transition to the buckling of defects in a crystalline interfacial monolayer, known to form in these systems at some T s > T d. The buckling reducesmore » the extensional energy of the crystalline monolayer’s defects, unavoidably formed when wrapping a spherical droplet by a hexagonally packed interfacial monolayer. The tail growth, shape changes, and droplet splitting were assigned to the decrease and vanishing of surface tension, γ. Here we present temperature-dependent γ(T), optical microscopy measurements, and interfacial entropy determinations for several alkane/surfactant combinations. We demonstrate the advantages and accuracy of the in situ γ(T) measurements made simultaneously with the microscopy measurements on the same droplet. The in situ and coinciding ex situ Wilhelmy plate γ(T) measurements confirm the low interfacial tension, ≲0.1 mN/m, observed at T d. Here, our results provide strong quantitative support validating the crystalline monolayer buckling mechanism.« less

Combined Thermodynamic-Kinetic Analysis of the Interfacial Reactions between Ni Metallization and Various Lead-Free Solders

PubMed Central

Laurila, Tomi; Vuorinen, Vesa

2009-01-01

In this paper we will demonstrate how a thermodynamic-kinetic method can be utilized to rationalize a wide range of interfacial phenomena between Sn-based lead-free solders and Ni metallizations. First, the effect of P on the interfacial reactions, and thus on the reliability, between Sn-based solders and electroless Ni/immersion Au (ENIG) metallizations, will be discussed. Next, the effect of small amounts of Cu in Sn-based solders on the intermetallic compound (IMC), which forms first on top of Ni metallization, will be covered. With the help of thermodynamic arguments a so called critical Cu concentration for the formation of (Cu,Ni)6Sn5 can be determined as a function of temperature. Then the important phenomenon of redeposition of (Au,Ni)Sn4 layer on top of Ni3Sn4 IMC will be discussed in detail. The reasons leading to this behaviour will be rationalized with the help of thermodynamic information and an explanation of why this phenomenon does not occur when an appropriate amount of Cu is present in the soldering system will be given. Finally, interfacial reaction issues related to low temperature Sn-Zn and Sn-Bi based solders and Ni metallization will be discussed.

Insight into the CH3NH3PbI3/C interface in hole-conductor-free mesoscopic perovskite solar cells

NASA Astrophysics Data System (ADS)

Li, Jiangwei; Niu, Guangda; Li, Wenzhe; Cao, Kun; Wang, Mingkui; Wang, Liduo

2016-07-01

Perovskite solar cells (PSCs) with hole-conductor-free mesoscopic architecture have shown superb stability and great potential in practical application. The printable carbon counter electrodes take full responsibility of extracting holes from the active CH3NH3PbI3 absorbers. However, an in depth study of the CH3NH3PbI3/C interface properties, such as the structural formation process and the effect of interfacial conditions on hole extraction, is still lacking. Herein, we present, for the first time, an insight into the spatial confinement induced CH3NH3PbI3/C interface formation by in situ photoluminescence observations during the crystallization process of CH3NH3PbI3. The derived reaction kinetics allows a quantitative description of the perovskite formation process. In addition, we found that the interfacial contact between carbon and perovskite was dominant for hole extraction efficiency and associated with the photovoltaic parameter of short circuit current density (JSC). Consequently, we conducted a solvent vapor assisted process of PbI2 diffusion to carefully control the CH3NH3PbI3/C interface with less unreacted PbI2 barrier. The improvement of interface conditions thereby contributes to a high hole extraction proved by the charge extraction resistance and PL lifetime change, resulting in the increased JSC valve.Perovskite solar cells (PSCs) with hole-conductor-free mesoscopic architecture have shown superb stability and great potential in practical application. The printable carbon counter electrodes take full responsibility of extracting holes from the active CH3NH3PbI3 absorbers. However, an in depth study of the CH3NH3PbI3/C interface properties, such as the structural formation process and the effect of interfacial conditions on hole extraction, is still lacking. Herein, we present, for the first time, an insight into the spatial confinement induced CH3NH3PbI3/C interface formation by in situ photoluminescence observations during the crystallization process of CH3NH3PbI3. The derived reaction kinetics allows a quantitative description of the perovskite formation process. In addition, we found that the interfacial contact between carbon and perovskite was dominant for hole extraction efficiency and associated with the photovoltaic parameter of short circuit current density (JSC). Consequently, we conducted a solvent vapor assisted process of PbI2 diffusion to carefully control the CH3NH3PbI3/C interface with less unreacted PbI2 barrier. The improvement of interface conditions thereby contributes to a high hole extraction proved by the charge extraction resistance and PL lifetime change, resulting in the increased JSC valve. Electronic supplementary information (ESI) available: Fig. S1-S11, Tables S1, S2 and details of the Avrami model for reaction kinetics. See DOI: 10.1039/c6nr03359h

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

Li, B.; The Peac Institute of Multiscale Sciences, Chengdu, Sichuan 610207; Wang, L.

With large-scale molecular dynamics simulations, we investigate shock response of He nanobubbles in single crystal Cu. For sufficient bubble size or internal pressure, a prismatic dislocation loop may form around a bubble in unshocked Cu. The internal He pressure helps to stabilize the bubble against plastic deformation. However, the prismatic dislocation loops may partially heal but facilitate nucleation of new shear and prismatic dislocation loops. For strong shocks, the internal pressure also impedes internal jetting, while a bubble assists local melting; a high speed jet breaks a He bubble into pieces dispersed among Cu. Near-surface He bubbles may burst andmore » form high velocity ejecta containing atoms and small fragments, while the ejecta velocities do not follow the three-dimensional Maxwell-Boltzmann distributions expected for thermal equilibrium. The biggest fragment size deceases with increasing shock strength. With a decrease in ligament thickness or an increase in He bubble size, the critical shock strength required for bubble bursting decreases, while the velocity range, space extension and average velocity component along the shock direction, increase. Small bubbles are more efficient in mass ejecting. Compared to voids and perfect single crystal Cu, He bubbles have pronounced effects on shock response including bubble/void collapse, Hugoniot elastic limit (HEL), deformation mechanisms, and surface jetting. HEL is the highest for perfect single crystal Cu with the same orientations, followed by He bubbles without pre-existing prismatic dislocation loops, and then voids. Complete void collapse and shear dislocations occur for embedded voids, as opposed to partial collapse, and shear and possibly prismatic dislocations for He bubbles. He bubbles lower the threshhold shock strength for ejecta formation, and increase ejecta velocity and ejected mass.« less

Cosmic strings and the large-scale structure

NASA Technical Reports Server (NTRS)

Stebbins, Albert

1988-01-01

A possible problem for cosmic string models of galaxy formation is presented. If very large voids are common and if loop fragmentation is not much more efficient than presently believed, then it may be impossible for string scenarios to produce the observed large-scale structure with Omega sub 0 = 1 and without strong environmental biasing.

Mechanical and thermal characterization of a ceramic/glass composite seal for solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Dev, Bodhayan; Walter, Mark E.; Arkenberg, Gene B.; Swartz, Scott L.

2014-01-01

Solid oxide fuel cells (SOFCs) require seals that can function in harsh, elevated temperature environments. Comprehensive characterization and understanding of seals is needed for commercially viable SOFCs. The present research focuses on a novel ceramic/glass composite seal that is produced by roller compaction or tape casting of glass and ceramic powders and an organic binder. Upon heat treatment, micro-voids and surface anomalies are formed. Increased heating and cooling rates during the heat treatment resulted in more and larger voids. The first goal of the current research is to suggest an appropriate heating and cooling rate to minimize the formation of microstructural defects. After identifying an appropriate cure cycle, seals were thermally cycled and then characterized with laser dilatometry, X-ray diffraction, and sonic resonance. From these experiments the crystalline phases, thermal expansion, and elastic properties were determined. Subsequently compression testing with an acoustic emission (AE) sensor and post-test microstructural analysis were used to identify the formation of damage. By fully understanding the characteristics of this ceramic/glass composite seal, next generation seals can be fabricated for improved performance.

Advances in Chemical and Structural Characterization of Concretion with Implications for Modeling Marine Corrosion

NASA Astrophysics Data System (ADS)

Johnson, Donald L.; DeAngelis, Robert J.; Medlin, Dana J.; Carr, James D.; Conlin, David L.

2014-05-01

The Weins number model and concretion equivalent corrosion rate methodology were developed as potential minimum-impact, cost-effective techniques to determine corrosion damage on submerged steel structures. To apply the full potential of these technologies, a detailed chemical and structural characterization of the concretion (hard biofouling) that transforms into iron bearing minerals is required. The fractions of existing compounds and the quantitative chemistries are difficult to determine from x-ray diffraction. Environmental scanning electron microscopy was used to present chemical compositions by means of energy-dispersive spectroscopy (EDS). EDS demonstrates the chemical data in mapping format or in point or selected area chemistries. Selected-area EDS data collection at precise locations is presented in terms of atomic percent. The mechanism of formation and distribution of the iron-bearing mineral species at specific locations will be presented. Based on water retention measurements, porosity in terms of void volume varies from 15 v/o to 30 v/o (vol.%). The void path displayed by scanning electron microscopy imaging illustrates the tortuous path by which oxygen migrates in the water phase within the concretion from seaside to metalside.

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

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

Yu, Xiaobai; Wang, Xiaoxin; Zhang, Qinglin

Here, cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO x cermet system compared to conventional Ni-Al 2O 3 system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in thismore » paper, we demonstrate that pre-operation annealing of Ni nanochain-SiO x cermets at 900 °C in N 2 forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO x interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N 2 (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO x interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO x saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any interfacial changes due to the localized surface plasmon resonances of the metal nanostructures. This phenomenon holds true for Ni nanoparticle diameter down to 40 nm in Ni-SiO x system, where the optical response remains stable for 53 h at 550 °C in air. The oxidation vs. time curve also shows saturation behavior deviating from the kinetic Deal-Grove oxidation model. These results strongly suggest a promising approach to thermodynamically stable, anti-oxidation Ni/SiO x cermet absorbers via interfacial engineering.« less

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

DOE PAGES

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

2016-04-01

Here, cermet solar thermal selective absorber coatings are an important component of high-efficiency concentrated solar power (CSP) receivers. The oxidation of the metal nanoparticles in cermet solar absorbers is a great challenge for vacuum-free operation. Recently, we have demonstrated that oxidation is kinetically retarded in solution processed, high-optical-performance Ni nanochain-SiO x cermet system compared to conventional Ni-Al 2O 3 system when annealed in air at 450–600 °C for several hours. However, for long-term, high-temperature applications in CSP systems, thermodynamically stable antioxidation behavior is highly desirable, which requires new mechanisms beyond kinetically reducing the oxidation rate. Towards this goal, in thismore » paper, we demonstrate that pre-operation annealing of Ni nanochain-SiO x cermets at 900 °C in N 2 forms the thermodynamically stable orthorhombic phase of NiSi at the Ni/SiO x interfaces, leading to self-terminated oxidation at 550 °C in air due to this interfacial engineering. In contrast, pre-operation annealing at a lower temperature of 750 °C in N 2 (as conducted in our previous work) cannot achieve interfacial NiSi formation directly, and further annealing in air at 450–600 °C for >4 h only leads to the formation of the less stable (metastable) hexagonal phase of NiSi. Therefore, the high-temperature pre-operation annealing is critical to form the desirable orthorhombic phase of NiSi at Ni/SiO x interfaces towards thermodynamically stable antioxidation behavior. Remarkably, with this improved interfacial engineering, the oxidation of 80-nm-diameter Ni nanochain-SiO x saturates after annealing at 550 °C in air for 12 h. Additional annealing at 550 °C in air for as long as 20 h (i.e., 32 h air annealing at >550 °C in total) has almost no further impact on the structural or optical properties of the coatings, the latter being very sensitive to any interfacial changes due to the localized surface plasmon resonances of the metal nanostructures. This phenomenon holds true for Ni nanoparticle diameter down to 40 nm in Ni-SiO x system, where the optical response remains stable for 53 h at 550 °C in air. The oxidation vs. time curve also shows saturation behavior deviating from the kinetic Deal-Grove oxidation model. These results strongly suggest a promising approach to thermodynamically stable, anti-oxidation Ni/SiO x cermet absorbers via interfacial engineering.« less

Interfacial development of electrophoretically deposited graphene oxide films on Al alloys

DOE PAGES

Jin, Sumin; Dickerson, James H.; Pham, Viet Hung; ...

2015-07-28

Adhesion between film and substrate is critical for electronic device and coating applications. Interfacial development between electrophoretically deposited graphene oxide films on Al 1100 and Al 5052 alloys were investigated using FT-IR and XPS depth profiling techniques. Obtained results suggest metal ion permeation from the substrates into deposited graphene oxide films. The interface between the films and the substrates were primarily composed of Al-O-C bonds from oxygenated defects on graphene oxide plane rather than expected Al-C formation. Films heat treated at 150 °C had change in microstructure and peak shifts in XPS spectra suggesting change in chemical structure of bondsmore » between the films and the substrates.« less

Characterization of the hydrogen-bond network of water around sucrose and trehalose: H-O-H bending analysis

NASA Astrophysics Data System (ADS)

Shiraga, Keiichiro; Adachi, Aya; Ogawa, Yuichi

2017-06-01

The bioprotective properties of disaccharides have been linked to destructuring effect on the hydrogen-bond structure of the interfacial water around the disaccharide solute, but its detailed mechanisms are yet to be provided. In this study, we characterized the destructuring effect based on the complex dielectric constants of interfacial water around sucrose and trehalose in the H-O-H bending region. Our analysis showed that the destructuring effect around disaccharides involves substantial disordering of the hydrogen-bond structure and formation of strong disaccharide-water hydrogen-bond. Such a destructuring effect caused by disaccharides is totally distinct from what happens with temperature increases of neat water.

Interfacial perpendicular magnetic anisotropy in CoFeB/MgO structure with various underlayers

NASA Astrophysics Data System (ADS)

Oh, Young-Wan; Lee, Kyeong-Dong; Jeong, Jong-Ryul; Park, Byong-Guk

2014-05-01

Interfacial perpendicular magnetic anisotropy (PMA) in CoFeB/MgO structures was investigated and found to be critically relied on underlayer material and annealing temperature. With Ta or Hf underlayer, clear PMA is observed in as-deposited samples while no PMA was shown in those with Pt or Pd. This may be attributed to smaller saturation magnetization of the films with Ta or Hf underlayer, which makes the PMA of CoFeB/MgO interface dominates over demagnetization field. On the contrary, samples with Pt or Pd demonstrate PMA only after annealing, which might be due to the CoPt (or CoPd) alloy formation that enhances PMA.

Thermoswitchable Janus Gold Nanoparticles with Stimuli-Responsive Hydrophilic Polymer Brushes.

PubMed

Niu, Xiaoqin; Ran, Fen; Chen, Limei; Lu, Gabriella Jia-En; Hu, Peiguang; Deming, Christopher P; Peng, Yi; Rojas-Andrade, Mauricio D; Chen, Shaowei

2016-05-03

Well-defined thermoswitchable Janus gold nanoparticles with stimuli-responsive hydrophilic polymer brushes were fabricated by combining ligand exchange reactions and the Langmuir technique. Stimuli-responsive polydi(ethylene glycol) methyl ether methacrylate was prepared by addition-fragmentation chain-transfer polymerization. The polymer brushes were then anchored onto the nanoparticle surface by interfacial ligand exchange reactions with hexanethiolate-protected gold nanoparticles, leading to the formation of a hydrophilic (polymer) hemisphere and a hydrophobic (hexanethiolate) one. The resulting Janus nanoparticles showed temperature-switchable wettability, hydrophobicity at high temperatures, and hydrophilicity at low temperatures, due to thermally induced conformational transition of the polymer ligands. The results further highlight the importance of interfacial engineering in the deliberate functionalization of nanoparticle materials.

Optical Properties of Al-Doped ZnO Films in the Infrared Region and Their Absorption Applications

NASA Astrophysics Data System (ADS)

Zheng, Hua; Zhang, Rong-Jun; Li, Da-Hai; Chen, Xin; Wang, Song-You; Zheng, Yu-Xiang; Li, Meng-Jiao; Hu, Zhi-Gao; Dai, Ning; Chen, Liang-Yao

2018-05-01

The optical properties of aluminum-doped zinc oxide (AZO) thin films were calculated rapidly and accurately by point-by-point analysis from spectroscopic ellipsometry (SE) data. It was demonstrated that there were two different physical mechanisms, i.e., the interfacial effect and crystallinity, for the thickness-dependent permittivity in the visible and infrared regions. In addition, there was a blue shift for the effective plasma frequency of AZO when the thickness increased, and the effective plasma frequency did not exist for AZO ultrathin films (< 25 nm) in the infrared region, which demonstrated that AZO ultrathin films could not be used as a negative index metamaterial. Based on detailed permittivity research, we designed a near-perfect absorber at 2-5 μm by etching AZO-ZnO alternative layers. The alternative layers matched the phase of reflected light, and the void cylinder arrays extended the high absorption range. Moreover, the AZO absorber demonstrated feasibility and applicability on different substrates.

Mechanism of bonding and debonding using surface activated bonding method with Si intermediate layer

NASA Astrophysics Data System (ADS)

Takeuchi, Kai; Fujino, Masahisa; Matsumoto, Yoshiie; Suga, Tadatomo

2018-04-01

Techniques of handling thin and fragile substrates in a high-temperature process are highly required for the fabrication of semiconductor devices including thin film transistors (TFTs). In our previous study, we proposed applying the surface activated bonding (SAB) method using Si intermediate layers to the bonding and debonding of glass substrates. The SAB method has successfully bonded glass substrates at room temperature, and the substrates have been debonded after heating at 450 °C, in which TFTs are fabricated on thin glass substrates for LC display devices. In this study, we conducted the bonding and debonding of Si and glass in order to understand the mechanism in the proposed process. Si substrates are also successfully bonded to glass substrates at room temperature and debonded after heating at 450 °C using the proposed bonding process. By the composition analysis of bonding interfaces, it is clarified that the absorbed water on the glass forms interfacial voids and cause the decrease in bond strength.

Effect of Environmental Exposures on Fatigue Life of P/M Disk Superalloys

NASA Technical Reports Server (NTRS)

Draper, Susan

2011-01-01

As the temperature capability of Ni-base superalloy powder metallurgy disks is steadily increased, environmental resistance and protection of advanced nickel-based turbine disk components are becoming increasingly important. Localized surface hot corrosion attack and damage from oxidation have been shown to impair disk fatigue life and may eventually limit disk operating temperatures. NASA Research Announcement (NRA) contracts have been awarded to GE Aviation and Honeywell Aerospace to separately develop fatigue resistant metallic and ceramic coatings for corrosion resistance and the corrosion/fatigue results of selected coatings will be presented. The microstructural response of a bare ME3 disk superalloy has been evaluated for moderate (704 C) and aggressive (760-816 C) oxidizing exposures up to 2,020 hours. Cross section analysis reveals sub-surface damage (significant for aggressive exposures) that consists of Al2O3 "fingers", interfacial voids, a recrystallized precipitate-free layer and GB carbide dissolution. The effects of a Nichrome corrosion coating on this microstructural response will also be presented.

Flexible multiply towpreg and method of production therefor

NASA Technical Reports Server (NTRS)

Muzzy, John D. (Inventor); Varughese, Babu (Inventor)

1992-01-01

This invention relates to an improved flexible towpreg and a method of production therefor. The improved flexible towpreg comprises a plurality of towpreg plies which comprise reinforcing filaments and matrix forming material; the reinforcing filaments being substantially wetout by the matrix forming material such that the towpreg plies are substantially void-free composite articles, and the towpreg plies having an average thickness less than about 100 microns. The method of production for the improved flexible towpreg comprises the steps of spreading the reinforcing filaments to expose individually substantially all of the reinforcing filaments; coating the reinforcing filaments with the matrix forming material in a manner causing interfacial adhesion of the matrix forming material to the reinforcing filaments; forming the towpreg plies by heating the matrix forming material contacting the reinforcing filaments until the matrix forming material liquefies and coats the reinforcing filaments; and cooling the towpreg plies in a manner such that substantial cohesion between neighboring towpreg plies is prevented until the matrix forming material solidifies.

Nano-confinement inside molecular metal oxide clusters: Dynamics and modified encapsulation behavior

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

Wang, Zhe; Daemen, Luke L.; Cheng, Yongqiang

Encapsulation behavior, as well as the presence of internal catalytically-active sites, has been spurring the applications of a 3 nm hollow spherical metal oxide cluster {Mo 132} as an encapsulation host and a nano-reactor. Due to its well-defined and tunable cluster structures, and nano-scaled internal void space comparable to the volumes of small molecules, this cluster provides a good model to study the dynamics of materials under ultra-confinement. Neutron scattering studies suggest that bulky internal ligands inside the cluster show slower and limited dynamics compared to their counterparts in the bulk state, revealing the rigid nature of the skeleton ofmore » the internal ligands. Furthermore, NMR studies indicate that the rigid internal ligands that partially cover the interfacial pore on the molybdenum oxide shells are able to block some large guest molecules from going inside the capsule cluster, which provides a convincing protocol for size-selective encapsulation and separation.« less

Nano-confinement inside molecular metal oxide clusters: Dynamics and modified encapsulation behavior

DOE PAGES

Wang, Zhe; Daemen, Luke L.; Cheng, Yongqiang; ...

2016-08-19

Encapsulation behavior, as well as the presence of internal catalytically-active sites, has been spurring the applications of a 3 nm hollow spherical metal oxide cluster {Mo 132} as an encapsulation host and a nano-reactor. Due to its well-defined and tunable cluster structures, and nano-scaled internal void space comparable to the volumes of small molecules, this cluster provides a good model to study the dynamics of materials under ultra-confinement. Neutron scattering studies suggest that bulky internal ligands inside the cluster show slower and limited dynamics compared to their counterparts in the bulk state, revealing the rigid nature of the skeleton ofmore » the internal ligands. Furthermore, NMR studies indicate that the rigid internal ligands that partially cover the interfacial pore on the molybdenum oxide shells are able to block some large guest molecules from going inside the capsule cluster, which provides a convincing protocol for size-selective encapsulation and separation.« less

Flexible multiply towpreg

NASA Technical Reports Server (NTRS)

Muzzy, John D. (Inventor); Varughese, Babu (Inventor)

1992-01-01

This invention relates to an improved flexible towpreg and a method of production therefor. The improved flexible towpreg comprises a plurality of towpreg plies which comprise reinforcing filaments and matrix forming material; the reinforcing filaments being substantially wetout by the matrix forming material such that the towpreg plies are substantially void-free composite articles, and the towpreg plies having an average thickness less than about 100 microns. The method of production for the improved flexible towpreg comprises the steps of spreading the reinforcing filaments to expose individually substantially all of the reinforcing filaments; coating the reinforcing filaments with the matrix forming material in a manner causing interfacial adhesion of the matrix forming material to the reinforcing filaments; forming the towpreg plies by heating the matrix forming material contacting the reinforcing filaments until the matrix forming material liquifies and coats the reinforcing filaments; and cooling the towpreg plies in a manner such that substantial cohesion between neighboring towpreg plies is prevented until the matrix forming material solidifies.

Crack blunting and the strength of soft elastic solids

NASA Astrophysics Data System (ADS)

Hui, C.-Y.; Jagota, A.; Bennison, S. J.; Londono, J. D.

2003-06-01

When a material is so soft that the cohesive strength (or adhesive strength, in the case of interfacial fracture) exceeds the elastic modulus of the material, we show that a crack will blunt instead of propagating. Large-deformation finite-element model (FEM) simulations of crack initiation, in which the debonding processes are quantified using a cohesive zone model, are used to support this hypothesis. An approximate analytic solution, which agrees well with the FEM simulation, gives additional insight into the blunting process. The consequence of this result on the strength of soft, rubbery materials is the main topic of this paper. We propose two mechanisms by which crack growth can occur in such blunted regions. We have also performed experiments on two different elastomers to demonstrate elastic blunting. In one system, we present some details on a void growth mechanism for ultimate failure, post-blunting. Finally, we demonstrate how crack blunting can shed light on some long-standing problems in the area of adhesion and fracture of elastomers.

The sparkling Universe: clustering of voids and void clumps

NASA Astrophysics Data System (ADS)

Lares, Marcelo; Ruiz, Andrés N.; Luparello, Heliana E.; Ceccarelli, Laura; Garcia Lambas, Diego; Paz, Dante J.

2017-07-01

We analyse the clustering of cosmic voids using a numerical simulation and the main galaxy sample from the Sloan Digital Sky Survey. We take into account the classification of voids into two types that resemble different evolutionary modes: those with a rising integrated density profile (void-in-void mode or R-type) and voids with shells (void-in-cloud mode or S-type). The results show that voids of the same type have stronger clustering than the full sample. We use the correlation analysis to define void clumps, associations with at least two voids separated by a distance of at most the mean void separation. In order to study the spatial configuration of void clumps, we compute the minimal spanning tree and analyse their multiplicity, maximum length and elongation parameter. We further study the dynamics of the smaller sphere that enclose all the voids in each clump. Although the global densities of void clumps are different according to their member-void types, the bulk motions of these spheres are remarkably lower than those of randomly placed spheres with the same radius distribution. In addition, the coherence of pairwise void motions does not strongly depend on whether voids belong to the same clump. Void clumps are useful to analyse the large-scale flows around voids, since voids embedded in large underdense regions are mostly in the void-in-void regime, where the expansion of the larger region produces the separation of voids. Similarly, voids around overdense regions form clumps that are in collapse, as reflected in the relative velocities of voids that are mostly approaching.

Accelerated Metastable Solid-liquid Interdiffusion Bonding with High Thermal Stability and Power Handling

NASA Astrophysics Data System (ADS)

Huang, Ting-Chia; Smet, Vanessa; Kawamoto, Satomi; Pulugurtha, Markondeya R.; Tummala, Rao R.

2018-01-01

Emerging high-performance systems are driving the need for advanced packaging solutions such as 3-D integrated circuits (ICs) and 2.5-D system integration with increasing performance and reliability requirements for off-chip interconnections. Solid-liquid interdiffusion (SLID) bonding resulting in all-intermetallic joints has been proposed to extend the applicability of solders, but faces fundamental and manufacturing challenges hindering its wide adoption. This paper introduces a Cu-Sn SLID interconnection technology, aiming at stabilization of the microstructure in the Cu6Sn5 metastable phase rather than the usual stable Cu3Sn phase. This enables formation of a void-free interface yielding higher mechanical strength than standard SLID bonding, as well as significantly reducing the transition time. The metastable SLID technology retains the benefits of standard SLID with superior I/O pitch scalability, thermal stability and current handling capability, while advancing assembly manufacturability. In the proposed concept, the interfacial reaction is controlled by introducing Ni(P) diffusion barrier layers, designed to effectively isolate the metastable Cu6Sn5 phase preventing any further transformation. Theoretical diffusion and kinetic models were applied to design the Ni-Cu-Sn interconnection stack to achieve the targeted joint composition. A daisy chain test vehicle was used to demonstrate this technology as a first proof of concept. Full transition to Cu6Sn5 was successfully achieved within a minute at 260°C as confirmed by scanning electron microscope (SEM) and x-ray energy dispersive spectroscopy (XEDS) analysis. The joint composition was stable through 10× reflow, with outstanding bond strength averaging 90 MPa. The metastable SLID interconnections also showed excellent electromigration performance, surviving 500 h of current stressing at 105 A/cm2 at 150°C.

Bonding of contemporary glass ionomer cements to dentin.

PubMed

Yip, H K; Tay, F R; Ngo, H C; Smales, R J; Pashley, D H

2001-09-01

The objective of this study was to investigate the microtensile bond strength (microTBS) of contemporary glass ionomer cements (GIC) to sound coronal dentin. Three specimen teeth were prepared for each material tested: Fuji IX GP (GC), ChemFlex (Dentsply) and Ketac-Molar Aplicap (ESPE). GIC buildups were made according to the manufacturers' instructions. After being stored at 37 degrees C, 100% humidity for 24h, the teeth were vertically sectioned into 1x1mm beams for microTBS evaluation. Representative fractured beams were prepared for scanning (SEM) and transmission electron microscopic (TEM) examination. Results of the microTBS test were: Fuji IX GP (12.4+/-8.6MPa), ChemFlex (15.0+/-9.3MPa) and Ketac-Molar Aplicap (11.4+/-7.7MPa). One-way ANOVA and a multiple comparison test showed that ChemFlex had a statistically higher microTBS (p<0.05). SEM fractographic analysis showed that the predominant failure modes were interfacial and mixed failures. The GIC side of the fractured beams revealed dehydration cracks, a high level of porosity, and voids with an eggshell-like crust. TEM analysis of the demineralized dentin sides of the fractured beams revealed the presence of an intermediate layer along the GIC-dentin interface. This zone was present on the fractured dentin surface in the case of interfacial failure, and beneath GIC remnants in specimens that exhibited a mixed failure mode. The findings suggest that the bonding of GIC to dentin is not weak and that the microTBS values probably represent the weak yield strengths of GICs under tension.

Macroscopic aspects of interfacial reactions

NASA Technical Reports Server (NTRS)

Heckel, R. W.

1976-01-01

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

Angular momentum of dwarf galaxies

NASA Astrophysics Data System (ADS)

Kurapati, Sushma; Chengalur, Jayaram N.; Pustilnik, Simon; Kamphuis, Peter

2018-05-01

Mass and specific angular momentum are two fundamental physical parameters of galaxies. We present measurements of the baryonic mass and specific angular momentum of 11 void dwarf galaxies derived from neutral hydrogen (HI) synthesis data. Rotation curves were measured using 3D and 2D tilted ring fitting routines, and the derived curves generally overlap within the error bars, except in the central regions where, as expected, the 3D routines give steeper curves. The specific angular momentum of void dwarfs is found to be high compared to an extrapolation of the trends seen for higher mass bulge-less spirals, but comparable to that of other dwarf irregular galaxies that lie outside of voids. As such, our data show no evidence for a dependence of the specific angular momentum on the large scale environment. Combining our data with the data from the literature, we find a baryonic threshold of ˜109.1 M⊙ for this increase in specific angular momentum. Interestingly, this threshold is very similar to the mass threshold below which the galaxy discs start to become systematically thicker. This provides qualitative support to the suggestion that the thickening of the discs, as well as the increase in specific angular momentum, are both results of a common physical mechanism, such as feedback from star formation. Quantitatively, however, the amount of star formation observed in our dwarfs appears insufficient to produce the observed increase in specific angular momentum. It is hence likely that other processes, such as cold accretion of high angular momentum gas, also play a role in increasing the specific angular momentum.

Laboratory measurements of electrical resistivity versus water content on small soil cores

NASA Astrophysics Data System (ADS)

Robain, H.; Camerlynck, C.; Bellier, G.; Tabbagh, A.

2003-04-01

The assessment of soil water content variations more and more leans on geophysical methods that are non invasive and that allow a high spatial sampling. Among the different methods, DC electrical imaging is moving forward. DC Electrical resistivity shows indeed strong seasonal variations that principally depend on soil water content variations. Nevertheless, the widely used Archie's empirical law [1], that links resistivity with voids saturation and water conductivity is not well suited to soil materials with high clay content. Furthermore, the shrinking and swelling properties of soil materials have to be considered. Hence, it is relevant to develop new laboratory experiments in order to establish a relation between electrical resistivity and water content taking into account the rheological and granulometrical specificities of soil materials. The experimental device developed in IRD laboratory allows to monitor simultaneously (i) the water content, (ii) the electrical resistivity and (iii) the volume of a small cylindrical soil core (100cm3) put in a temperature controlled incubator (30°C). It provides both the shrinkage curve of the soil core (voids volume versus water content) and the electrical resistivity versus water content curve The modelisation of the shrinkage curve gives for each moisture state the water respectively contained in macro and micro voids [2], and then allows to propose a generalized Archie's like law as following : 1/Rs = 1/Fma.Rma + 1/Fmi.Rmi and Fi = Ai/(Vi^Mi.Si^Ni) with Rs : the soil resistivity. Fma and Fmi : the so called "formation factor" for macro and micro voids, respectively. Rma and Rmi : the resistivity of the water contained in macro and micro voids, respectively. Vi : the volume of macro and micro voids, respectively. Si : the saturation of macro and micro voids, respectively. Ai, Mi and Ni : adjustment coefficients. The variations of Rmi are calculated, assuming that Rma is a constant. Indeed, the rise of ionic concentration in water may be neglected during the sewage of macro voids as it corresponds to a small quantity of water for the studied samples. Soil solid components are generally electrical insulators, the conduction of electrical current only lies on two phenomenon occurring in water : (i) volume conduction controlled by the electrolyte concentration in water and the geometrical characteristics of macro voids network ; (ii) surface conduction controlled by the double diffuse layer that depends on the solid-liquid interactions, the specific surface of clay minerals and the geometry of particles contacts. For the water contained in macro voids the preeminent phenomenon seems to be volume conduction while for the water contained in micro voids, it seems to be surface conduction. This hypothesis satisfyingly explains the shape of the electrical resistivity versus water content curves obtained for three different oxisols with clayey, clayey-sandy and sandy-clayey texture. [1] Archie G.E. 1942. The electrical resistivity log as an aid in determining some reservoirs characteristics. Trans. AIME, 146, 54-67. [2] Braudeau E. et al. 1999. New device and method for soil shrinkage curve measurement and characterization. S.S.S.A.J., 63(3), 525-535.

Interfacial Stability of Li Metal-Solid Electrolyte Elucidated via in Situ Electron Microscopy.

PubMed

Ma, Cheng; Cheng, Yongqiang; Yin, Kuibo; Luo, Jian; Sharafi, Asma; Sakamoto, Jeff; Li, Juchuan; More, Karren L; Dudney, Nancy J; Chi, Miaofang

2016-11-09

Despite their different chemistries, novel energy-storage systems, e.g., Li-air, Li-S, all-solid-state Li batteries, etc., face one critical challenge of forming a conductive and stable interface between Li metal and a solid electrolyte. An accurate understanding of the formation mechanism and the exact structure and chemistry of the rarely existing benign interfaces, such as the Li-cubic-Li 7-3x Al x La 3 Zr 2 O 12 (c-LLZO) interface, is crucial for enabling the use of Li metal anodes. Due to spatial confinement and structural and chemical complications, current investigations are largely limited to theoretical calculations. Here, through an in situ formation of Li-c-LLZO interfaces inside an aberration-corrected scanning transmission electron microscope, we successfully reveal the interfacial chemical and structural progression. Upon contact with Li metal, the LLZO surface is reduced, which is accompanied by the simultaneous implantation of Li + , resulting in a tetragonal-like LLZO interphase that stabilizes at an extremely small thickness of around five unit cells. This interphase effectively prevented further interfacial reactions without compromising the ionic conductivity. Although the cubic-to-tetragonal transition is typically undesired during LLZO synthesis, the similar structural change was found to be the likely key to the observed benign interface. These insights provide a new perspective for designing Li-solid electrolyte interfaces that can enable the use of Li metal anodes in next-generation batteries.

Evaluating the Role of the Air-Solution Interface on the Mechanism of Subvisible Particle Formation Caused by Mechanical Agitation for an IgG1 mAb.

PubMed

Ghazvini, Saba; Kalonia, Cavan; Volkin, David B; Dhar, Prajnaparamita

2016-05-01

Mechanical agitation of monoclonal antibody (mAb) solutions often leads to protein particle formation. In this study, various formulations of an immunoglobulin G (IgG) 1 mAb were subjected to different controlled interfacial stresses using a Langmuir trough, and protein particles formed at the interface and measured in bulk solution were characterized using atomic force microscopy and flow digital imaging. Results were compared to mAb solutions agitated in glass vials and unstressed controls. At lower pH, mAb solutions exhibited larger hysteresis in their surface pressure versus area isotherms and increased number of particles in bulk solution, when subjected to interfacial stresses. mAb samples subjected to 750-1000 interfacial compression-expansion cycles in 6 h contained high particle numbers in bulk solution, and displayed similar particulation trends when agitated in vials. At compression rates of 50 cycles in 6 h, however, particle levels in mAb solutions were comparable to unstressed controls, despite protein aggregates being present at the air-solution interface. These results suggest that while the air-solution interface serves as a nucleation site for initiating protein aggregation, the number of protein particles measured in bulk mAb solutions depends on the total number of compression cycles that proteins at the air-solution interface are subjected to within a fixed time. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

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

NASA Astrophysics Data System (ADS)

Sloutskin, Eli

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

Inducing rostrum interfacial waves by fluid-solid coupling in a Chinese river dolphin (Lipotes vexillifer )

NASA Astrophysics Data System (ADS)

Song, Zhongchang; Zhang, Yu; Wei, Chong; Wang, Xianyan

2016-01-01

Through numerically solving the appropriate wave equations, propagation of biosonar signals in a Chinese river dolphin (baiji) was studied. The interfacial waves along the rostrum-tissue interfaces, including both compressional (longitudinal) and shear (transverse) waves in the solid rostrum through fluid-solid coupling were examined. The baiji's rostrum was found to effect acoustic beam formation not only as an interfacial wave generator but also as a sound reflector. The wave propagation patterns in the solid rostrum were found to significantly change the wave movement through the bone. Vibrations in the rostrum, expressed in solid displacement, initially increased but eventually decreased from posterior to anterior sides, indicating a complex physical process. Furthermore, the comparisons among seven cases, including the combination of (1) the rostrum, melon, and air sacs; (2) rostrum-air sacs; (3) rostrum-melon; (4) only rostrum; (5) air sacs-melon; (6) only air sacs; and (7) only melon revealed that the cases including the rostrum were better able to approach the complete system by inducing rostrum-tissue interfacial waves and reducing the differences in main beam angle and -3 dB beam width. The interfacial waves in the rostrum were considered complementary with reflection to determine the obbligato role of the rostrum in the baiji's biosonar emission. The far-field beams formed from complete fluid-solid models and non-fluid-solid models were compared to reveal the effects brought by the consideration of shear waves of the solid structures of the baiji. The results may provide useful information for further understanding the role of the rostrum in this odontocete species.

Inducing rostrum interfacial waves by fluid-solid coupling in a Chinese river dolphin (Lipotesvexillifer).

PubMed

Song, Zhongchang; Zhang, Yu; Wei, Chong; Wang, Xianyan

2016-01-01

Through numerically solving the appropriate wave equations, propagation of biosonar signals in a Chinese river dolphin (baiji) was studied. The interfacial waves along the rostrum-tissue interfaces, including both compressional (longitudinal) and shear (transverse) waves in the solid rostrum through fluid-solid coupling were examined. The baiji's rostrum was found to effect acoustic beam formation not only as an interfacial wave generator but also as a sound reflector. The wave propagation patterns in the solid rostrum were found to significantly change the wave movement through the bone. Vibrations in the rostrum, expressed in solid displacement, initially increased but eventually decreased from posterior to anterior sides, indicating a complex physical process. Furthermore, the comparisons among seven cases, including the combination of (1) the rostrum, melon, and air sacs; (2) rostrum-air sacs; (3) rostrum-melon; (4) only rostrum; (5) air sacs-melon; (6) only air sacs; and (7) only melon revealed that the cases including the rostrum were better able to approach the complete system by inducing rostrum-tissue interfacial waves and reducing the differences in main beam angle and -3 dB beam width. The interfacial waves in the rostrum were considered complementary with reflection to determine the obbligato role of the rostrum in the baiji's biosonar emission. The far-field beams formed from complete fluid-solid models and non-fluid-solid models were compared to reveal the effects brought by the consideration of shear waves of the solid structures of the baiji. The results may provide useful information for further understanding the role of the rostrum in this odontocete species.

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

PubMed

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

2018-05-02

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

Gullies and Voids

NASA Image and Video Library

2018-02-05

Intricate gullies have formed on the northern wall of this impact crater located in the Terra Cimmeria region in this image from NASA's Mars Reconnaissance Orbiter (MRO). This crater may have formed in a region rich in ground water. This ground water likely flowed down the wall, eventually eroding numerous gullies while carrying sediments to form fan deposits. Ultimately the water likely infiltrated and froze beneath the surface. Other hypotheses say gullies form through carbon dioxide frost avalanches that we can see today. What about this chain of pits snaking their way downhill? After material was transported, subsurface voids may have formed, removing support for the overlying material. The collapse of the surface into the cavities below likely resulted in the pits and troughs, perhaps beginning a new cycle of gully formation. https://photojournal.jpl.nasa.gov/catalog/PIA22239

Understanding catalyst behavior during in situ heating through simultaneous secondary and transmitted electron imaging

DOE PAGES

Howe, Jane Y.; Allard, Jr., Lawrence Frederick; Demers, Hendrix; ...

2014-11-14

In situ heating study via a simultaneous secondary electron (SE) and transmitted electron (TE) microscopy is extremely insightful because information from the surface (SE) and bulk (TE) can be readily obtained. The leached Au/Fe 2O 3 catalyst has voids on the surface of Fe 2O 3. Upon heating to 500 °C, voids shrank and disappeared, while internal Au species diffused to the surface to form new nanoparticles. Heating in vacuum reduced Fe 2O 3 to Fe 3O 4. Heating at 700 °C caused coalescence and growth of Au particles and formation of faceted Fe 3O 4 surfaces. We achieved 1.1more » nm resolution in SE imaging during in situ heating.« less

Two reference time scales for studying the dynamic cavitation of liquid films

NASA Technical Reports Server (NTRS)

Sun, D. C.; Brewe, D. E.

1992-01-01

Two formulas, one for the characteristic time of filling a void with the vapor of the surrounding liquid, and one of filling the void by diffusion of the dissolved gas in the liquid, are derived. By comparing these time scales with that of the dynamic operation of oil film bearings, it is concluded that the evaporation process is usually fast enough to fill the cavitation bubble with oil vapor; whereas the diffusion process is much too slow for the dissolved air to liberate itself and enter the cavitation bubble. These results imply that the formation of a two phase fluid in dynamically loaded bearings, as often reported in the literature, is caused by air entrainment. They further indicate a way to simplify the treatment of the dynamic problem of bubble evolution.

BISON Investigation of the Effect of the Fuel- Cladding Contact Irregularities on the Peak Cladding Temperature and FCCI Observed in AFC-3A Rodlet 4

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

Medvedev, Pavel G.

2016-09-01

The primary objective of this report is to document results of BISON analyses supporting Fuel Cycle Research and Development (FCRD) activities. Specifically, the present report seeks to provide explanation for the microstructural features observed during post irradiation examination of the helium-bonded annular U-10Zr fuel irradiated during the AFC-3A experiment. Post irradiation examination of the AFC-3A rodlet revealed microstructural features indicative of the fuel-cladding chemical interaction (FCCI) at the fuel-cladding interface. Presence of large voids was also observed in the same locations. BISON analyses were performed to examine stress and temperature profiles and to investigate possible correlation between the voids andmore » FCCI. It was found that presence of the large voids lead to a formation of circumferential temperature gradients in the fuel that may have redirected migrating lanthanides to the locations where fuel and cladding are in contact. Resulting localized increase of lanthanide concentration is expected to accelerate FCCI. The results of this work provide important guidance to the post irradiation examination studies. Specifically, the hypothesis of lanthanides being redirected from the voids to the locations where the fuel and the cladding are in contact should be verified by conducting quantitative electron microscopy or Electron Probe Micro-Analyzer (EPMA). The results also highlight the need for computer models capable of simulating lanthanide diffusion in metallic fuel and establish a basis for validation of such models.« less

Energy for the interface system of (Nb, Mo)C/γ-Fe

NASA Astrophysics Data System (ADS)

Zhou, Yanyuan; Wang, Zhenqiang; Zhao, Jiaying; Leng, Zhe; Niu, Zhongyi; Guo, Chunhuan; Zhang, Zhengyan; Yang, Zhigang; Yao, Chunfa; Jiang, Fengchun

2017-08-01

The interfacial energies of MC/γ-Fe and formation energies of MC carbides have been investigated using first-principles calculations based on density functional theory (DFT). Results show that the replacement of Nb by Mo in the NbC lattice is unfavorable with respect to the formation energy. However, it reduces the lattice parameter of MC and decreases the σ_{{chemical}} (interfacial chemical energy) of MC/γ-Fe, thus favoring the formation of complex (Nb, Mo)C carbide. The substitution of Nb by Mo at the interface of MC/γ-Fe system promotes the hybridizations of Mo-1NNFe and C-1NNFe (or 2NNFe) (the first or second nearest neighboring Fe atoms), which leads to a decrease in σ_{{chemical}}. The influence of bond energy is estimated using the discrete lattice plane/nearest neighbor broken bond (DLP/NNBB) model. It is found that the reduced σ_{{chemical}} is attributed to the much smaller value of e_{{{{Fe-C}}}} - e_{{{{Mo-C}}}} (the difference between Fe-C and Mo-C interactions) compared to e_{{{{Fe-C}}}} - e_{{{{Nb-C}}}} (the difference between Fe-C and Nb-C interactions). The results obtained from the analysis of the precipitates in Nb- and Nb-Mo-bearing steels are in a good agreement with the calculations.

Self-assembled monolayer of designed and synthesized triazinedithiolsilane molecule as interfacial adhesion enhancer for integrated circuit

PubMed Central

2011-01-01

Self-assembled monolayer (SAM) with tunable surface chemistry and smooth surface provides an approach to adhesion improvement and suppressing deleterious chemical interactions. Here, we demonstrate the SAM comprising of designed and synthesized 6-(3-triethoxysilylpropyl)amino-1,3,5-triazine-2,4-dithiol molecule, which can enhance interfacial adhesion to inhibit copper diffusion used in device metallization. The formation of the triazinedithiolsilane SAM is confirmed by X-ray photoelectron spectroscopy. The adhesion strength between SAM-coated substrate and electroless deposition copper film was up to 13.8 MPa. The design strategy of triazinedithiolsilane molecule is expected to open up the possibilities for replacing traditional organosilane to be applied in microelectronic industry. PMID:21812994

Interpretation of transport measurements in ZnO-thin films

NASA Astrophysics Data System (ADS)

Petukhov, Vladimir; Stoemenos, John; Rothman, Johan; Bakin, Andrey; Waag, Andreas

2011-01-01

In order to interpret results of temperature dependent Hall measurements in heteroepitaxial ZnO-thin films, we adopted a multilayer conductivity model considering carrier-transport through the interfacial layer with degenerate electron gas as well as the upper part of ZnO layers with lower conductivity. This model was applied to the temperature dependence of the carrier concentration and mobility measured by Hall effect in a ZnO-layer grown on c-sapphire with conventional high-temperature MgO and low-temperature ZnO buffer. We also compared our results with the results of maximum entropy mobility-spectrum analysis (MEMSA). The formation of the highly conductive interfacial layer was explained by analysis of transmission electron microscopy (TEM) images taken from similar layers.

Interfacial mixing in as-deposited Si/Ni/Si layers analyzed by x-ray and polarized neutron reflectometry

NASA Astrophysics Data System (ADS)

Bhattacharya, Debarati; Basu, Saibal; Singh, Surendra; Roy, Sumalay; Dev, Bhupendra Nath

2012-12-01

Interdiffusion occurring across the interfaces in a Si/Ni/Si layered system during deposition at room temperature was probed using x-ray reflectivity (XRR) and polarized neutron reflectivity (PNR). Exploiting the complementarity of these techniques, both structural and magnetic characterization with nanometer depth resolution could be achieved. Suitable model fitting of the reflectivity profiles identified the formation of Ni-Si mixed alloy layers at the Si/Ni and Ni/Si interfaces. The physical parameters of the layered structure, including quantitative assessment of the stoichiometry of interfacial alloys, were obtained from the analyses of XRR and PNR patterns. In addition, PNR provided magnetic moment density profile as a function of depth in the stratified medium.

Plasmonic engineering of metal-oxide nanowire heterojunctions in integrated nanowire rectification units

NASA Astrophysics Data System (ADS)

Lin, Luchan; Zou, Guisheng; Liu, Lei; Duley, Walt W.; Zhou, Y. Norman

2016-05-01

We show that irradiation with femtosecond laser pulses can produce robust nanowire heterojunctions in coupled non-wetting metal-oxide Ag-TiO2 structures. Simulations indicate that joining arises from the effect of strong plasmonic localization in the region of the junction. Strong electric field effects occur in both Ag and TiO2 resulting in the modification of both surfaces and an increase in wettability of TiO2, facilitating the interconnection of Ag and TiO2 nanowires. Irradiation leads to the creation of a thin layer of highly defected TiO2 in the contact region between the Ag and TiO2 nanowires. The presence of this layer allows the formation of a heterojunction and offers the possibility of engineering the electronic characteristics of interfacial structures. Rectifying junctions with single and bipolar properties have been generated in Ag-TiO2 nanowire circuits incorporating asymmetrical and symmetrical interfacial structures, respectively. This fabrication technique should be applicable for the interconnection of other heterogeneous metal-oxide nanowire components and demonstrates that femtosecond laser irradiation enables interfacial engineering for electronic applications of integrated nanowire structures.

Fabrication of CA/TPU Helical Nanofibers and its Mechanism Analysis

NASA Astrophysics Data System (ADS)

Wu, Huihui; Zhao, Shihang; Han, Lei

2018-04-01

To explore the mechanism of cellulose acetate (CA)/thermoplastic polyurethane (TPU) on the fabrication of helical nanofibers, a series of experiments were conducted to find the optimum spinning conditions. The experimental results show that the CA (14 wt%, DMAc/acetone, 1/2 volume ratio)/TPU2 (18 wt%, DMAc/acetone, 3/1 volume ratio) system can fabricate helical nanofibers effectively via co-electrospinning. We focus on the interfacial interaction between the polymer components induced by the polymer structure and intrinsic properties, including solution properties, hydrogen bonding, and miscibility behavior of the two solutions. Differential scanning calorimetry (DSC) and Fourier transform infrared spectroscopy (FTIR) are employed to investigate the interfacial interaction between the two phases of the polymer system. The analysis results provide the explanation of the experimental results that the CA/TPU system has the potential for producing helical nanofibers effectively. This study based on the interfacial interaction between polymer components provides an insight into the mechanism of CA/TPU helical fiber formation and introduces a richer choice of materials for the application of helical fibers.

Engineering High-Energy Interfacial Structures for High-Performance Oxygen-Involving Electrocatalysis.

PubMed

Guo, Chunxian; Zheng, Yao; Ran, Jingrun; Xie, Fangxi; Jaroniec, Mietek; Qiao, Shi-Zhang

2017-07-10

Engineering high-energy interfacial structures for high-performance electrocatalysis is achieved by chemical coupling of active CoO nanoclusters and high-index facet Mn 3 O 4 nano-octahedrons (hi-Mn 3 O 4 ). A thorough characterization, including synchrotron-based near edge X-ray absorption fine structure, reveals that strong interactions between both components promote the formation of high-energy interfacial Mn-O-Co species and high oxidation state CoO, from which electrons are drawn by Mn III -O present in hi-Mn 3 O 4 . The CoO/hi-Mn 3 O 4 demonstrates an excellent catalytic performance over the conventional metal oxide-based electrocatalysts, which is reflected by 1.2 times higher oxygen evolution reaction (OER) activity than that of Ru/C and a comparable oxygen reduction reaction (ORR) activity to that of Pt/C as well as a better stability than that of Ru/C (95 % vs. 81 % retained OER activity) and Pt/C (92 % vs. 78 % retained ORR activity after 10 h running) in alkaline electrolyte. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

PubMed

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

2016-08-17

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

Spatially-resolved magnetic resonance study of the dissolution interface between soaps and water

NASA Astrophysics Data System (ADS)

Ciampi, E.; Goerke, U.; McDonald, P. J.; Chambers, J. G.; Newling, B.

2002-06-01

The developing interfacial region between a soap bar and water has been studied using a suite of spatially resolved NMR techniques. Stray field imaging (STRAFI) allowed the dynamics of water ingress into a shop-bought, commercial soap to be followed. A simplistic analysis of the data shows the ingress to be a Fickian process (∝t1/2) in the first 4 h. The T2 contrast employed in the STRAFI method is not sufficient to resolve detail of the mesophase formation at the interface. However, double quantum filtered 2H spectroscopy at different positions in the interfacial region allowed water concentration (and mesophase distribution) to be mapped over the first 120 h of dissolution. A simple model shows good agreement with the water concentration data. In the isotropic soap solution above the interfacial region, J-cyclic cross polarization was used to selectively interrogate the CH2 1H of the soap alkyl chains and, in combination with a pulsed field gradient measurement of self-diffusion, suggests a micellar solution in which the hydrodynamic radius of the micelles is ~5nm.

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

Large-Scale Reactive Atomistic Simulation of Shock-induced Initiation Processes in Energetic Materials

NASA Astrophysics Data System (ADS)

Thompson, Aidan

2013-06-01

Initiation in energetic materials is fundamentally dependent on the interaction between a host of complex chemical and mechanical processes, occurring on scales ranging from intramolecular vibrations through molecular crystal plasticity up to hydrodynamic phenomena at the mesoscale. A variety of methods (e.g. quantum electronic structure methods (QM), non-reactive classical molecular dynamics (MD), mesoscopic continuum mechanics) exist to study processes occurring on each of these scales in isolation, but cannot describe how these processes interact with each other. In contrast, the ReaxFF reactive force field, implemented in the LAMMPS parallel MD code, allows us to routinely perform multimillion-atom reactive MD simulations of shock-induced initiation in a variety of energetic materials. This is done either by explicitly driving a shock-wave through the structure (NEMD) or by imposing thermodynamic constraints on the collective dynamics of the simulation cell e.g. using the Multiscale Shock Technique (MSST). These MD simulations allow us to directly observe how energy is transferred from the shockwave into other processes, including intramolecular vibrational modes, plastic deformation of the crystal, and hydrodynamic jetting at interfaces. These processes in turn cause thermal excitation of chemical bonds leading to initial chemical reactions, and ultimately to exothermic formation of product species. Results will be presented on the application of this approach to several important energetic materials, including pentaerythritol tetranitrate (PETN) and ammonium nitrate/fuel oil (ANFO). In both cases, we validate the ReaxFF parameterizations against QM and experimental data. For PETN, we observe initiation occurring via different chemical pathways, depending on the shock direction. For PETN containing spherical voids, we observe enhanced sensitivity due to jetting, void collapse, and hotspot formation, with sensitivity increasing with void size. For ANFO, we examine the effect of reaction rates on shock direction, fuel oil fraction, and crystal/fuel oil/void microstructural arrangement. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Dept. of Energy's National Nuclear Security Admin. under contract DEAC0494AL85000.

Impact of air exposure and surface chemistry on Li-Li 7La 3Zr 2O 12 interfacial resistance

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

Sharafi, Asma; Yu, Seungho; Naguib, Michael

Li 7La 3Zr 2O 12 (LLZO) is a promising solid-state electrolyte that could enable solid-state-batteries (SSB) employing metallic Li anodes. For a SSB to be viable, the stability and charge transfer kinetics at the Li–LLZO interface should foster facile plating and stripping of Li. Contrary to these goals, recent studies have reported high Li–LLZO interfacial resistance which was attributed to a contamination layer that forms upon exposure of LLZO to air. This study clarifies the mechanisms and consequences associated with air exposure of LLZO; additionally, strategies to minimize these effects are described. First-principles calculations reveal that LLZO readily reacts withmore » humid air; the most favorable reaction pathway involves protonation of LLZO and formation of Li2CO3. X-ray photoelectron spectroscopy, scanning electron microscopy, Raman spectroscopy, and transmission electron microscopy were used to characterize the surface and subsurface chemistry of LLZO as a function of relative humidity and exposure time. Additionally, electrochemical impedance spectroscopy was used to measure the Li–LLZO interfacial resistance as a function of surface contamination. These data indicate that air exposure-induced contamination impacts the interfacial resistance significantly, when exposure time exceeds 24 h. The results of this study provide valuable insight into the sensitivity of LLZO to air and how the effects of air contamination can be reversed.« less

First principles study on electrochemical and chemical stability of solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries

DOE PAGES

Zhu, Yizhou; He, Xingfeng; Mo, Yifei

2015-12-11

All-solid-state Li-ion batteries based on ceramic solid electrolyte materials are a promising next-generation energy storage technology with high energy density and enhanced cycle life. The poor interfacial conductance is one of the key limitations in enabling all-solid-state Li-ion batteries. However, the origin of this poor conductance has not been understood, and there is limited knowledge about the solid electrolyte–electrode interfaces in all-solid-state Li-ion batteries. In this paper, we performed first principles calculations to evaluate the thermodynamics of the interfaces between solid electrolyte and electrode materials and to identify the chemical and electrochemical stabilities of these interfaces. Our computation results revealmore » that many solid electrolyte–electrode interfaces have limited chemical and electrochemical stability, and that the formation of interphase layers is thermodynamically favorable at these interfaces. These formed interphase layers with different properties significantly affect the electrochemical performance of all-solid-state Li-ion batteries. The mechanisms of applying interfacial coating layers to stabilize the interface and to reduce interfacial resistance are illustrated by our computation. This study demonstrates a computational scheme to evaluate the chemical and electrochemical stability of heterogeneous solid interfaces. Finally, the enhanced understanding of the interfacial phenomena provides the strategies of interface engineering to improve performances of all-solid-state Li-ion batteries.« less

Temperature-Tuned Faceting and Shape Changes in Liquid Alkane Droplets

DOE PAGES

Guttman, Shani; Sapir, Zvi; Ocko, Benjamin M.; ...

2017-01-09

Recent extensive studies reveal that surfactant-stabilized spherical alkane emulsion droplets spontaneously adopt polyhedral shapes upon cooling below a temperature T d while remaining liquid. Further cooling induces the growth of tails and spontaneous droplet splitting. Two mechanisms were offered to account for these intriguing effects. One assigns the effects to the formation of an intradroplet frame of tubules consisting of crystalline rotator phases with cylindrically curved lattice planes. The second assigns the sphere-to-polyhedron transition to the buckling of defects in a crystalline interfacial monolayer, known to form in these systems at some T s > T d. The buckling reducesmore » the extensional energy of the crystalline monolayer’s defects, unavoidably formed when wrapping a spherical droplet by a hexagonally packed interfacial monolayer. The tail growth, shape changes, and droplet splitting were assigned to the decrease and vanishing of surface tension, γ. Here we present temperature-dependent γ(T), optical microscopy measurements, and interfacial entropy determinations for several alkane/surfactant combinations. We demonstrate the advantages and accuracy of the in situ γ(T) measurements made simultaneously with the microscopy measurements on the same droplet. The in situ and coinciding ex situ Wilhelmy plate γ(T) measurements confirm the low interfacial tension, ≲0.1 mN/m, observed at T d. Here, our results provide strong quantitative support validating the crystalline monolayer buckling mechanism.« less

Soldering Characteristics and Mechanical Properties of Sn-1.0Ag-0.5Cu Solder with Minor Aluminum Addition

PubMed Central

Leong, Yee Mei; Haseeb, A.S.M.A.

2016-01-01

Driven by the trends towards miniaturization in lead free electronic products, researchers are putting immense efforts to improve the properties and reliabilities of Sn based solders. Recently, much interest has been shown on low silver (Ag) content solder SAC105 (Sn-1.0Ag-0.5Cu) because of economic reasons and improvement of impact resistance as compared to SAC305 (Sn-3.0Ag-0.5Cu. The present work investigates the effect of minor aluminum (Al) addition (0.1–0.5 wt.%) to SAC105 on the interfacial structure between solder and copper substrate during reflow. The addition of minor Al promoted formation of small, equiaxed Cu-Al particle, which are identified as Cu3Al2. Cu3Al2 resided at the near surface/edges of the solder and exhibited higher hardness and modulus. Results show that the minor addition of Al does not alter the morphology of the interfacial intermetallic compounds, but they substantially suppress the growth of the interfacial Cu6Sn5 intermetallic compound (IMC) after reflow. During isothermal aging, minor alloying Al has reduced the thickness of interfacial Cu6Sn5 IMC but has no significant effect on the thickness of Cu3Sn. It is suggested that of atoms of Al exert their influence by hindering the flow of reacting species at the interface. PMID:28773645

Soldering Characteristics and Mechanical Properties of Sn-1.0Ag-0.5Cu Solder with Minor Aluminum Addition.

PubMed

Leong, Yee Mei; Haseeb, A S M A

2016-06-28

Driven by the trends towards miniaturization in lead free electronic products, researchers are putting immense efforts to improve the properties and reliabilities of Sn based solders. Recently, much interest has been shown on low silver (Ag) content solder SAC105 (Sn-1.0Ag-0.5Cu) because of economic reasons and improvement of impact resistance as compared to SAC305 (Sn-3.0Ag-0.5Cu. The present work investigates the effect of minor aluminum (Al) addition (0.1-0.5 wt.%) to SAC105 on the interfacial structure between solder and copper substrate during reflow. The addition of minor Al promoted formation of small, equiaxed Cu-Al particle, which are identified as Cu₃Al₂. Cu₃Al₂ resided at the near surface/edges of the solder and exhibited higher hardness and modulus. Results show that the minor addition of Al does not alter the morphology of the interfacial intermetallic compounds, but they substantially suppress the growth of the interfacial Cu₆Sn₅ intermetallic compound (IMC) after reflow. During isothermal aging, minor alloying Al has reduced the thickness of interfacial Cu₆Sn₅ IMC but has no significant effect on the thickness of Cu₃Sn. It is suggested that of atoms of Al exert their influence by hindering the flow of reacting species at the interface.

Role of the Cu-ZrO 2 Interfacial Sites for Conversion of Ethanol to Ethyl Acetate and Synthesis of Methanol from CO 2 and H 2 [The Role of the Cu-ZrO 2 Interfacial Sites for Ethanol Conversion to Ethyl Acetate and Methanol Synthesis from CO 2 and H 2

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

Ro, Insoo; Liu, Yifei; Ball, Madelyn R.

Well-defined Cu catalysts containing different amounts of zirconia were synthesized by controlled surface reactions (CSRs) and atomic layer deposition methods and studied for the selective conversion of ethanol to ethyl acetate and for methanol synthesis. Selective deposition of ZrO 2 on undercoordinated Cu sites or near Cu nanoparticles via the CSR method was evidenced by UV–vis absorption spectroscopy, scanning transmission electron microscopy, and inductively coupled plasma absorption emission spectroscopy. The concentrations of Cu and Cu-ZrO 2 interfacial sites were quantified using a combination of subambient CO Fourier transform infrared spectroscopy and reactive N 2O chemisorption measurements. The oxidation states ofmore » the Cu and ZrO 2 species for these catalysts were determined using X-ray absorption near edge structure measurements, showing that these species were present primarily as Cu 0 and Zr 4+, respectively. Here, it was found that the formation of Cu-ZrO 2 interfacial sites increased the turnover frequency by an order of magnitude in both the conversion of ethanol to ethyl acetate and the synthesis of methanol from CO 2 and H 2.« less

Role of the Cu-ZrO 2 Interfacial Sites for Conversion of Ethanol to Ethyl Acetate and Synthesis of Methanol from CO 2 and H 2 [The Role of the Cu-ZrO 2 Interfacial Sites for Ethanol Conversion to Ethyl Acetate and Methanol Synthesis from CO 2 and H 2

DOE PAGES

Ro, Insoo; Liu, Yifei; Ball, Madelyn R.; ...

2016-09-06

Well-defined Cu catalysts containing different amounts of zirconia were synthesized by controlled surface reactions (CSRs) and atomic layer deposition methods and studied for the selective conversion of ethanol to ethyl acetate and for methanol synthesis. Selective deposition of ZrO 2 on undercoordinated Cu sites or near Cu nanoparticles via the CSR method was evidenced by UV–vis absorption spectroscopy, scanning transmission electron microscopy, and inductively coupled plasma absorption emission spectroscopy. The concentrations of Cu and Cu-ZrO 2 interfacial sites were quantified using a combination of subambient CO Fourier transform infrared spectroscopy and reactive N 2O chemisorption measurements. The oxidation states ofmore » the Cu and ZrO 2 species for these catalysts were determined using X-ray absorption near edge structure measurements, showing that these species were present primarily as Cu 0 and Zr 4+, respectively. Here, it was found that the formation of Cu-ZrO 2 interfacial sites increased the turnover frequency by an order of magnitude in both the conversion of ethanol to ethyl acetate and the synthesis of methanol from CO 2 and H 2.« less