Stability analysis for capillary channel flow: 1d and 3d computations

NASA Astrophysics Data System (ADS)

Grah, Aleksander; Klatte, Jörg; Dreyer, Michael E.

The subject of the presentation are numerical studies on capillary channel flow, based on results of the sounding rocket TEXUS experiments. The flow through a capillary channel is established by a gear pump at the outlet. The channel, consists of two parallel glass plates with a width of 25 mm, a gap of 10 mm and a length of 12 mm. The meniscus of a compensation tube maintains a constant system pressure. Steady and dynamic pressure effects in the system force the surfaces to bend inwards. A maximum flow rate is achieved when the free surface collapses and gas ingestion occurs at the outlet. This critical flow rate depends on the channel geometry, the flow regime and the liquid properties. The aim of the experiments is the determination of the free surface shape and to find the maximum flow rate. In order to study the unsteady liquid loop behavior, a dimensionless one-dimensional model and a corresponding three-dimensional model were developed. The one-dimensional model is based on the unsteady Bernoulli equation, the unsteady continuity equation and geometrical conditions for the surface curvature and the flow cross-section. The experimental and evaluated contour data show good agreement for a sequence of transient flow rate perturbations. In the case of steady flow at maximum flow rate, when the "choking" effect occurs, the surfaces collapse and cause gas ingestion into the channel. This effect is related to the Speed Index. At the critical flow rate the Speed Index reaches the value 1, in analogy to the Mach Number. Unsteady choking does not necessarily cause surface collapse. We show, that temporarily Speed Index values exceeding One may be achieved for a perfectly stable supercritical dynamic flow. As a supercritical criterion for the dynamic free surface stability we define a Dynamic Index considering the local capillary pressure and the convective pressure, which is a function of the local velocity. The Dynamic Index is below One for stable flow while D = 1 indicates surface collapse. This studies lead to a stability diagram, which defines the limits of flow dynamics and the maximum unsteady flow rate.

Surface premelting/recrystallization governing the collapse of open-cell nanoporous Cu via thermal annealing.

PubMed

Wang, L; Zhang, X M; Deng, L; Tang, J F; Xiao, S F; Deng, H Q; Hu, W Y

2018-06-04

We systematically investigate the collapse of a set of open-cell nanoporous Cu (np-Cu) materials with the same porosity and shape but different specific surface areas, during thermal annealing, by performing large-scale molecular dynamics simulations. Two mechanisms govern the collapse of np-Cu. One is direct surface premelting, facilitating the collapse of np-Cu, when the specific surface area is less than a critical value (∼2.38 nm-1). The other is recrystallization followed by surface premelting, accelerating the sloughing of ligaments and the annihilation of voids, when the critical specific surface area is exceeded. Surface premelting results from surface reconstruction by prompting localized "disordering" and "chaos" on the surface, and the melting temperature reduces linearly with the increase of the specific surface area. Recrystallization is followed by surface premelting as the melting temperature is below the supercooling point, where a liquid is unstable and instantaneously recrystallizes.

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

Grebogi, C.; Yorke, J.A.

This report discusses the following topics: controlling chaotic dynamical systems; embedding of experimental data; effect of noise on critical exponents of crises; transition to chaotic scattering; and distribution of floaters on a fluid surface. (LSP)

Phase diagram and universality of the Lennard-Jones gas-liquid system.

PubMed

Watanabe, Hiroshi; Ito, Nobuyasu; Hu, Chin-Kun

2012-05-28

The gas-liquid phase transition of the three-dimensional Lennard-Jones particles system is studied by molecular dynamics simulations. The gas and liquid densities in the coexisting state are determined with high accuracy. The critical point is determined by the block density analysis of the Binder parameter with the aid of the law of rectilinear diameter. From the critical behavior of the gas-liquid coexisting density, the critical exponent of the order parameter is estimated to be β = 0.3285(7). Surface tension is estimated from interface broadening behavior due to capillary waves. From the critical behavior of the surface tension, the critical exponent of the correlation length is estimated to be ν = 0.63(4). The obtained values of β and ν are consistent with those of the Ising universality class.

Design of Supercapacitor Electrodes Using Molecular Dynamics Simulations

NASA Astrophysics Data System (ADS)

Bo, Zheng; Li, Changwen; Yang, Huachao; Ostrikov, Kostya; Yan, Jianhua; Cen, Kefa

2018-06-01

Electric double-layer capacitors (EDLCs) are advanced electrochemical devices for energy storage and have attracted strong interest due to their outstanding properties. Rational optimization of electrode-electrolyte interactions is of vital importance to enhance device performance for practical applications. Molecular dynamics (MD) simulations could provide theoretical guidelines for the optimal design of electrodes and the improvement of capacitive performances, e.g., energy density and power density. Here we discuss recent MD simulation studies on energy storage performance of electrode materials containing porous to nanostructures. The energy storage properties are related to the electrode structures, including electrode geometry and electrode modifications. Altering electrode geometry, i.e., pore size and surface topography, can influence EDL capacitance. We critically examine different types of electrode modifications, such as altering the arrangement of carbon atoms, doping heteroatoms and defects, which can change the quantum capacitance. The enhancement of power density can be achieved by the intensified ion dynamics and shortened ion pathway. Rational control of the electrode morphology helps improve the ion dynamics by decreasing the ion diffusion pathway. Tuning the surface properties (e.g., the affinity between the electrode and the ions) can affect the ion-packing phenomena. Our critical analysis helps enhance the energy and power densities of EDLCs by modulating the corresponding electrode structures and surface properties.[Figure not available: see fulltext.

Analysis of current-driven oscillatory dynamics of single-layer homoepitaxial islands on crystalline conducting substrates

NASA Astrophysics Data System (ADS)

Dasgupta, Dwaipayan; Kumar, Ashish; Maroudas, Dimitrios

2018-03-01

We report results of a systematic study on the complex oscillatory current-driven dynamics of single-layer homoepitaxial islands on crystalline substrate surfaces and the dependence of this driven dynamical behavior on important physical parameters, including island size, substrate surface orientation, and direction of externally applied electric field. The analysis is based on a nonlinear model of driven island edge morphological evolution that accounts for curvature-driven edge diffusion, edge electromigration, and edge diffusional anisotropy. Using a linear theory of island edge morphological stability, we calculate a critical island size at which the island's equilibrium edge shape becomes unstable, which sets a lower bound for the onset of time-periodic oscillatory dynamical response. Using direct dynamical simulations, we study the edge morphological dynamics of current-driven single-layer islands at larger-than-critical size, and determine the actual island size at which the migrating islands undergo a transition from steady to time-periodic asymptotic states through a subcritical Hopf bifurcation. At the highest symmetry of diffusional anisotropy examined, on {111} surfaces of face-centered cubic crystalline substrates, we find that more complex stable oscillatory states can be reached through period-doubling bifurcation at island sizes larger than those at the Hopf points. We characterize in detail the island morphology and dynamical response at the stable time-periodic asymptotic states, determine the range of stability of these oscillatory states terminated by island breakup, and explain the morphological features of the stable oscillating islands on the basis of linear stability theory.

Forward and backward evolution of the Calhoun CZO: the effect of natural and anthropogenic disturbances

NASA Astrophysics Data System (ADS)

Bonetti, S.; Porporato, A. M.

2017-12-01

The time evolution of a landscape topography through erosional and depositional mechanisms is modified by both human and natural disturbances. This is particularly evident in the Calhoun Critical Zone Observatory, where decades of land-use resulted in a distinct topography with gullies, interfluves, hillslopes and significantly eroded areas. Understanding the role of different geomorphological processes that led to these conditions is crucial to reconstruct sediment and soil carbon fluxes, predict critical conditions of landscape degradation, and implement strategies of land recovery. To model these dynamics, an analytical theory of the drainage area (which represents a surrogate for water surface runoff responsible for fluvial incision) is used to evolve ridge and valley lines. Furthermore, the coupled dynamics of surface water runoff and landscape evolution is analyzed theoretically and numerically to detect thresholds leading to either stable landscape configurations or critical conditions of land erosion. Observed erosional cycles due to vegetation disturbances are explored and used to predict future evolutions under various levels of anthropogenic disturbance.

The dynamic failure behavior of tungsten heavy alloys subjected to transverse loads

NASA Astrophysics Data System (ADS)

Tarcza, Kenneth Robert

Tungsten heavy alloys (WHA), a category of particulate composites used in defense applications as kinetic energy penetrators, have been studied for many years. Even so, their dynamic failure behavior is not fully understood and cannot be predicted by numerical models presently in use. In this experimental investigation, a comprehensive understanding of the high-rate transverse-loading fracture behavior of WHA has been developed. Dynamic fracture events spanning a range of strain rates and loading conditions were created via mechanical testing and used to determine the influence of surface condition and microstructure on damage initiation, accumulation, and sample failure under different loading conditions. Using standard scanning electron microscopy metallographic and fractographic techniques, sample surface condition is shown to be extremely influential to the manner in which WHA fails, causing a fundamental change from externally to internally nucleated failures as surface condition is improved. Surface condition is characterized using electron microscopy and surface profilometry. Fracture surface analysis is conducted using electron microscopy, and linear elastic fracture mechanics is used to understand the influence of surface condition, specifically initial flaw size, on sample failure behavior. Loading conditions leading to failure are deduced from numerical modeling and experimental observation. The results highlight parameters and considerations critical to the understanding of dynamic WHA fracture and the development of dynamic WHA failure models.

The role of surface vorticity during unsteady separation

NASA Astrophysics Data System (ADS)

Melius, Matthew S.; Mulleners, Karen; Cal, Raúl Bayoán

2018-04-01

Unsteady flow separation in rotationally augmented flow fields plays a significant role in a variety of fundamental flows. Through the use of time-resolved particle image velocimetry, vorticity accumulation and vortex shedding during unsteady separation over a three-dimensional airfoil are examined. The results of the study describe the critical role of surface vorticity accumulation during unsteady separation and reattachment. Through evaluation of the unsteady characteristics of the shear layer, it is demonstrated that the buildup and shedding of surface vorticity directly influence the dynamic changes of the separation point location. The quantitative characterization of surface vorticity and shear layer stability enables improved aerodynamic designs and has a broad impact within the field of unsteady fluid dynamics.

Molecular dynamics simulation of potentiometric sensor response: the effect of biomolecules, surface morphology and surface charge.

PubMed

Lowe, B M; Skylaris, C-K; Green, N G; Shibuta, Y; Sakata, T

2018-05-10

The silica-water interface is critical to many modern technologies in chemical engineering and biosensing. One technology used commonly in biosensors, the potentiometric sensor, operates by measuring the changes in electric potential due to changes in the interfacial electric field. Predictive modelling of this response caused by surface binding of biomolecules remains highly challenging. In this work, through the most extensive molecular dynamics simulation of the silica-water interfacial potential and electric field to date, we report a novel prediction and explanation of the effects of nano-morphology on sensor response. Amorphous silica demonstrated a larger potentiometric response than an equivalent crystalline silica model due to increased sodium adsorption, in agreement with experiments showing improved sensor response with nano-texturing. We provide proof-of-concept that molecular dynamics can be used as a complementary tool for potentiometric biosensor response prediction. Effects that are conventionally neglected, such as surface morphology, water polarisation, biomolecule dynamics and finite-size effects, are explicitly modelled.

Determination of Protein Surface Hydration by Systematic Charge Mutations

NASA Astrophysics Data System (ADS)

Yang, Jin; Jia, Menghui; Qin, Yangzhong; Wang, Dihao; Pan, Haifeng; Wang, Lijuan; Xu, Jianhua; Zhong, Dongping; Dongping Zhong Collaboration; Jianhua Xu Collaboration

Protein surface hydration is critical to its structural stability, flexibility, dynamics and function. Recent observations of surface solvation on picosecond time scales have evoked debate on the origin of such relatively slow motions, from hydration water or protein charged sidechains, especially with molecular dynamics simulations. Here, we used a unique nuclease with a single tryptophan as a local probe and systematically mutated neighboring three charged residues to differentiate the contributions from hydration water and charged sidechains. By mutations of alternative one and two and all three charged residues, we observed slight increases in the total tryptophan Stokes shifts with less neighboring charged residue(s) and found insensitivity of charged sidechains to the relaxation patterns. The dynamics is correlated with hydration water relaxation with the slowest time in a dense charged environment and the fastest time at a hydrophobic site. On such picosecond time scales, the protein surface motion is restricted. The total Stokes shifts are dominantly from hydration water relaxation and the slow dynamics is from water-driven relaxation, coupled with local protein fluctuations.

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

Gur, Sourav; Frantziskonis, George N.; Univ. of Arizona, Tucson, AZ

Here, we report results from a numerical study of multi-time-scale bistable dynamics for CO oxidation on a catalytic surface in a flowing, well-mixed gas stream. The problem is posed in terms of surface and gas-phase submodels that dynamically interact in the presence of stochastic perturbations, reflecting the impact of molecular-scale fluctuations on the surface and turbulence in the gas. Wavelet-based methods are used to encode and characterize the temporal dynamics produced by each submodel and detect the onset of sudden state shifts (bifurcations) caused by nonlinear kinetics. When impending state shifts are detected, a more accurate but computationally expensive integrationmore » scheme can be used. This appears to make it possible, at least in some cases, to decrease the net computational burden associated with simulating multi-time-scale, nonlinear reacting systems by limiting the amount of time in which the more expensive integration schemes are required. Critical to achieving this is being able to detect unstable temporal transitions such as the bistable shifts in the example problem considered here. Lastly, our results indicate that a unique wavelet-based algorithm based on the Lipschitz exponent is capable of making such detections, even under noisy conditions, and may find applications in critical transition detection problems beyond catalysis.« less

Probing Ultrafast Electron Dynamics at Surfaces Using Soft X-Ray Transient Reflectivity Spectroscopy

NASA Astrophysics Data System (ADS)

Baker, L. Robert; Husek, Jakub; Biswas, Somnath; Cirri, Anthony

The ability to probe electron dynamics with surface sensitivity on the ultrafast time scale is critical for understanding processes such as charge separation, injection, and surface trapping that mediate efficiency in catalytic and energy conversion materials. Toward this goal, we have developed a high harmonic generation (HHG) light source for femtosecond soft x-ray reflectivity. Using this light source we investigated the ultrafast carrier dynamics at the surface of single crystalline α-Fe2O3, polycrystalline α-Fe2O3, and the mixed metal oxide, CuFeO2. We have recently demonstrated that CuFeO2 in particular is a selective catalyst for photo-electrochemical CO2 reduction to acetate; however, the role of electronic structure and charge carrier dynamics in mediating catalytic selectivity has not been well understood. Soft x-ray reflectivity measurements probe the M2,3, edges of the 3d transition metals, which provide oxidation and spin state resolution with element specificity. In addition to chemical state specificity, these measurements are also surface sensitive, and by independently simulating the contributions of the real and imaginary components of the complex refractive index, we can differentiate between surface and sub-surface contributions to the excited state spectrum. Accordingly, this work demonstrates the ability to probe ultrafast carrier dynamics in catalytic materials with element and chemical state specificity and with surface sensitivity.

Wettability behavior of water droplet on organic-polluted fused quartz surfaces of pillar-type nanostructures applying molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Chen, Jiaxuan; Chen, Wenyang; Xie, Yajing; Wang, Zhiguo; Qin, Jianbo

2017-02-01

Molecular dynamics (MD) is applied to research the wettability behaviors of different scale of water clusters absorbed on organic-polluted fused quartz (FQ) surface and different surface structures. The wettability of water clusters is studied under the effect of organic pollutant. With the combined influence of pillar height and interval, the stair-step Wenzel-Cassie transition critical line is obtained by analyzing stable state of water clusters on different surface structures. The results also show that when interval of pillars and the height of pillars keep constant respectively, the changing rules are exactly the opposite and these are termed as the "waterfall" rules. The substrate models of water clusters at Cassie-Baxter state which are at the vicinity of critical line are chosen to analyze the relationship of HI (refers to the pillar height/interval) ratio and scale of water cluster. The study has found that there is a critical changing threshold in the wettability changing process. When the HI ratio keeps constant, the wettability decreases first and then increase as the size of cluster increases; on the contrary, when the size of cluster keeps constant, the wettability decreases and then increase with the decrease of HI ratio, but when the size of water cluster is close to the threshold the HI ratio has little effect on the wettability.

Planetary astronomy

NASA Technical Reports Server (NTRS)

Morrison, David; Hunten, Donald; Ahearn, Michael F.; Belton, Michael J. S.; Black, David; Brown, Robert A.; Brown, Robert Hamilton; Cochran, Anita L.; Cruikshank, Dale P.; Depater, Imke

1991-01-01

The authors profile the field of astronomy, identify some of the key scientific questions that can be addressed during the decade of the 1990's, and recommend several facilities that are critically important for answering these questions. Scientific opportunities for the 1990' are discussed. Areas discussed include protoplanetary disks, an inventory of the solar system, primitive material in the solar system, the dynamics of planetary atmospheres, planetary rings and ring dynamics, the composition and structure of the atmospheres of giant planets, the volcanoes of IO, and the mineralogy of the Martian surface. Critical technology developments, proposed projects and facilities, and recommendations for research and facilities are discussed.

Effects Investigated of Ambient High-Temperature Exposure on Alumina-Titania High-Emittance Surfaces for Solar Dynamic Systems

NASA Technical Reports Server (NTRS)

deGroh, Kim K.; Smith, Daniela C.

1999-01-01

Solar-dynamic space power systems require durable, high-emittance surfaces on a number of critical components, such as heat receiver interior surfaces and parasitic load radiator (PLR) elements. An alumina-titania coating, which has been evaluated for solar-dynamic heat receiver canister applications, has been chosen for a PLR application (an electrical sink for excess power from the turboalternator/compressor) because of its demonstrated high emittance and high-temperature durability in vacuum. Under high vacuum conditions (+/- 10(exp -6) torr), the alumina-titania coating was found to be durable at temperatures of 1520 F (827 C) for approx. 2700 hours with no degradation in optical properties. This coating has been successfully applied to the 2-kW solar-dynamic ground test demonstrator at the NASA Lewis Research Center, to the 500 thermal-energy-storage containment canisters inside the heat receiver and to the PLR radiator. The solar-dynamic demonstrator has successfully operated for over 800 hours in Lewis large thermal/vacuum space environment facility, demonstrating the feasibility of solar-dynamic power generation for space applications.

Required sample size for monitoring stand dynamics in strict forest reserves: a case study

Treesearch

Diego Van Den Meersschaut; Bart De Cuyper; Kris Vandekerkhove; Noel Lust

2000-01-01

Stand dynamics in European strict forest reserves are commonly monitored using inventory densities of 5 to 15 percent of the total surface. The assumption that these densities guarantee a representative image of certain parameters is critically analyzed in a case study for the parameters basal area and stem number. The required sample sizes for different accuracy and...

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.

Dynamic fracture instability of tough bulk metallic glass

NASA Astrophysics Data System (ADS)

Meng, J. X.; Ling, Z.; Jiang, M. Q.; Zhang, H. S.; Dai, L. H.

2008-04-01

We report the observations of a clear fractographic evolution from vein pattern, dimple structure, and then to periodic corrugation structure, followed by microbranching pattern, along the crack propagation direction in the dynamic fracture of a tough Zr41.2Ti13.8Cu12.5Ni10Be22.5 (Vit.1) bulk metallic glass (BMGs) under high-velocity plate impact. A model based on fracture surface energy dissipation and void growth is proposed to characterize this fracture pattern transition. We find that once the dynamic crack propagation velocity reaches a critical fraction of Rayleigh wave speed, the crack instability occurs; hence, crack microbranching goes ahead. Furthermore, the correlation between the critical velocity of amorphous materials and their intrinsic strength such as Young's modulus is uncovered. The results may shed new insight into dynamic fracture instability for BMGs.

Hydration water dynamics and instigation of protein structuralrelaxation

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

Russo, Daniela; Hura, Greg; Head-Gordon, Teresa

2003-09-01

Until a critical hydration level is reached, proteins do not function. This critical level of hydration is analogous to a similar lack of protein function observed for temperatures below a dynamical temperature range of 180-220K that also is connected to the dynamics of protein surface water. Restoration of some enzymatic activity is observed in partially hydrated protein powders, sometimes corresponding to less than a single hydration layer on the protein surface, which indicates that the dynamical and structural properties of the surface water is intimately connected to protein stability and function. Many elegant studies using both experiment and simulation havemore » contributed important information about protein hydration structure and timescales. The molecular mechanism of the solvent motion that is required to instigate the protein structural relaxation above a critical hydration level or transition temperature has yet to be determined. In this work we use experimental quasi-elastic neutron scattering (QENS) and molecular dynamics simulation to investigate hydration water dynamics near a greatly simplified protein system. We consider the hydration water dynamics near the completely deuterated N-acetyl-leucine-methylamide (NALMA) solute, a hydrophobic amino acid side chain attached to a polar blocked polypeptide backbone, as a function of concentration between 0.5M-2.0M under ambient conditions. We note that roughly 50-60% of a folded protein's surface is equally distributed between hydrophobic and hydrophilic domains, domains whose lengths are on the order of a few water diameters, that justify our study of hydration dynamics of this simple model protein system. The QENS experiment was performed at the NIST Center for Neutron Research, using the disk chopper time of flight spectrometer (DCS). In order to separate the translational and rotational components in the spectra, two sets of experiments were carried out using different incident neutron wavelengths of 7.5{angstrom} and 5.5{angstrom} to give two different time resolutions. All the spectra have been measure at room temperature. The spectra were corrected for the sample holder contribution and normalized using the vanadium standard. The resulting data were analyzed with DAVE programs (http://www.ncnr.nist.gov/dave/). The AMBER force field and SPCE water model were used for modeling the NALMA solute and water, respectively. For the analysis of the water dynamics in the NALMA aqueous solutions, we performed simulations of a dispersed solute configuration consistent with our previous structural analysis, where we had primarily focused on the structural organization of these peptide solutions and their connection to protein folding. Further details of the QENS experiment and molecular dynamics simulations are reported elsewhere.« less

A high-fidelity approach towards simulation of pool boiling

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

Yazdani, Miad; Radcliff, Thomas; Soteriou, Marios

2016-01-15

A novel numerical approach is developed to simulate the multiscale problem of pool-boiling phase change. The particular focus is to develop a simulation technique that is capable of predicting the heat transfer and hydrodynamic characteristics of nucleate boiling and the transition to critical heat flux on surfaces of arbitrary shape and roughness distribution addressing a critical need to design enhanced boiling heat transfer surfaces. The macro-scale of the phase change and bubble dynamics is addressed through employing off-the-shelf Computational Fluid Dynamics (CFD) methods for interface tracking and interphase mass and energy transfer. The micro-scale of the microlayer, which forms atmore » early stage of bubble nucleation near the wall, is resolved through asymptotic approximation of the thin-film theory which provides a closed-form solution for the distribution of the micro-layer and its influence on the evaporation process. In addition, the sub-grid surface roughness is represented stochastically through probabilistic density functions and its role in bubble nucleation and growth is then represented based on the thermodynamics of nucleation process. This combination of deterministic CFD, local approximation, and stochastic representation allows the simulation of pool boiling on any surface with known roughness and enhancement characteristics. The numerical model is validated for dynamics and hydrothermal characteristics of a single nucleated bubble on a flat surface against available literature data. In addition, the prediction of pool-boiling heat transfer coefficient is verified against experimental measurements as well as reputable correlations for various roughness distributions and different surface orientations. Finally, the model is employed to demonstrate pool-boiling phenomenon on enhanced structures with reentrance cavities and to explore the effect of enhancement feature design on thermal and hydrodynamic characteristics of these surfaces.« less

Bursting and critical layer frequencies in minimal turbulent dynamics and connections to exact coherent states

NASA Astrophysics Data System (ADS)

Park, Jae Sung; Shekar, Ashwin; Graham, Michael D.

2018-01-01

The dynamics of the turbulent near-wall region is known to be dominated by coherent structures. These near-wall coherent structures are observed to burst in a very intermittent fashion, exporting turbulent kinetic energy to the rest of the flow. In addition, they are closely related to invariant solutions known as exact coherent states (ECS), some of which display nonlinear critical layer dynamics (motions that are highly localized around the surface on which the streamwise velocity matches the wave speed of ECS). The present work aims to investigate temporal coherence in minimal channel flow relevant to turbulent bursting and critical layer dynamics and its connection to the instability of ECS. It is seen that the minimal channel turbulence displays frequencies very close to those displayed by an ECS family recently identified in the channel flow geometry. The frequencies of these ECS are determined by critical layer structures and thus might be described as "critical layer frequencies." While the bursting frequency is predominant near the wall, the ECS frequencies (critical layer frequencies) become predominant over the bursting frequency at larger distances from the wall, and increasingly so as Reynolds number increases. Turbulent bursts are classified into strong and relatively weak classes with respect to an intermittent approach to a lower branch ECS. This temporally intermittent approach is closely related to an intermittent low drag event, called hibernating turbulence, found in minimal and large domains. The relationship between the strong burst and the instability of the lower branch ECS is further discussed in state space. The state-space dynamics of strong bursts is very similar to that of the unstable manifolds of the lower branch ECS. In particular, strong bursting processes are always preceded by hibernation events. This precursor dynamics to strong turbulence may aid in development of more effective control schemes by a way of anticipating dynamics such as intermittent hibernating dynamics.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-01

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C12E8) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Spherical harmonics analysis of surface density fluctuations of spherical ionic SDS and nonionic C12E8 micelles: A molecular dynamics study.

PubMed

Yoshii, Noriyuki; Nimura, Yuki; Fujimoto, Kazushi; Okazaki, Susumu

2017-07-21

The surface structure and its fluctuation of spherical micelles were investigated using a series of density correlation functions newly defined by spherical harmonics and Legendre polynomials based on the molecular dynamics calculations. To investigate the influence of head-group charges on the micelle surface structure, ionic sodium dodecyl sulfate and nonionic octaethyleneglycol monododecylether (C 12 E 8 ) micelles were investigated as model systems. Large-scale density fluctuations were observed for both micelles in the calculated surface static structure factor. The area compressibility of the micelle surface evaluated by the surface static structure factor was tens-of-times larger than a typical value of a lipid membrane surface. The structural relaxation time, which was evaluated from the surface intermediate scattering function, indicates that the relaxation mechanism of the long-range surface structure can be well described by the hydrostatic approximation. The density fluctuation on the two-dimensional micelle surface has similar characteristics to that of three-dimensional fluids near the critical point.

Blueprint for a coupled model of sedimentology, hydrology, and hydrogeology in streambeds

NASA Astrophysics Data System (ADS)

Partington, Daniel; Therrien, Rene; Simmons, Craig T.; Brunner, Philip

2017-06-01

The streambed constitutes the physical interface between the surface and the subsurface of a stream. Across all spatial scales, the physical properties of the streambed control surface water-groundwater interactions. Continuous alteration of streambed properties such as topography or hydraulic conductivity occurs through erosion and sedimentation processes. Recent studies from the fields of ecology, hydrogeology, and sedimentology provide field evidence that sedimentological processes themselves can be heavily influenced by surface water-groundwater interactions, giving rise to complex feedback mechanisms between sedimentology, hydrology, and hydrogeology. More explicitly, surface water-groundwater exchanges play a significant role in the deposition of fine sediments, which in turn modify the hydraulic properties of the streambed. We explore these feedback mechanisms and critically review the extent of current interaction between the different disciplines. We identify opportunities to improve current modeling practices. For example, hydrogeological models treat the streambed as a static rather than a dynamic entity, while sedimentological models do not account for critical catchment processes such as surface water-groundwater exchange. We propose a blueprint for a new modeling framework that bridges the conceptual gaps between sedimentology, hydrogeology, and hydrology. Specifically, this blueprint (1) fully integrates surface-subsurface flows with erosion, transport, and deposition of sediments and (2) accounts for the dynamic changes in surface elevation and hydraulic conductivity of the streambed. Finally, we discuss the opportunities for new research within the coupled framework.

Efficient, Decentralized Detection of Qualitative Spatial Events in a Dynamic Scalar Field

PubMed Central

Jeong, Myeong-Hun; Duckham, Matt

2015-01-01

This paper describes an efficient, decentralized algorithm to monitor qualitative spatial events in a dynamic scalar field. The events of interest involve changes to the critical points (i.e., peak, pits and passes) and edges of the surface network derived from the field. Four fundamental types of event (appearance, disappearance, movement and switch) are defined. Our algorithm is designed to rely purely on qualitative information about the neighborhoods of nodes in the sensor network and does not require information about nodes’ coordinate positions. Experimental investigations confirm that our algorithm is efficient, with O(n) overall communication complexity (where n is the number of nodes in the sensor network), an even load balance and low operational latency. The accuracy of event detection is comparable to established centralized algorithms for the identification of critical points of a surface network. Our algorithm is relevant to a broad range of environmental monitoring applications of sensor networks. PMID:26343672

Efficient, Decentralized Detection of Qualitative Spatial Events in a Dynamic Scalar Field.

PubMed

Jeong, Myeong-Hun; Duckham, Matt

2015-08-28

This paper describes an efficient, decentralized algorithm to monitor qualitative spatial events in a dynamic scalar field. The events of interest involve changes to the critical points (i.e., peak, pits and passes) and edges of the surface network derived from the field. Four fundamental types of event (appearance, disappearance, movement and switch) are defined. Our algorithm is designed to rely purely on qualitative information about the neighborhoods of nodes in the sensor network and does not require information about nodes' coordinate positions. Experimental investigations confirm that our algorithm is efficient, with O(n) overall communication complexity (where n is the number of nodes in the sensor network), an even load balance and low operational latency. The accuracy of event detection is comparable to established centralized algorithms for the identification of critical points of a surface network. Our algorithm is relevant to a broad range of environmental monitoring applications of sensor networks.

Report on Microgravity Experiments of Dynamic Surface Deformation Effects on Marangoni Instability in High-Prandtl-Number Liquid Bridges

NASA Astrophysics Data System (ADS)

Yano, Taishi; Nishino, Koichi; Matsumoto, Satoshi; Ueno, Ichiro; Komiya, Atsuki; Kamotani, Yasuhiro; Imaishi, Nobuyuki

2018-04-01

This paper reports an overview and some important results of microgravity experiments called Dynamic Surf, which have been conducted on board the International Space Station from 2013 to 2016. The present project mainly focuses on the relations between the Marangoni instability in a high-Prandtl-number (Pr= 67 and 112) liquid bridge and the dynamic free surface deformation (DSD) as well as the interfacial heat transfer. The dynamic free surface deformations of large-scale liquid bridges (say, for diameters greater than 10 mm) are measured with good accuracy by an optical imaging technique. It is found that there are two causes of the dynamic free surface deformation in the present study: the first is the time-dependent flow behavior inside the liquid bridge due to the Marangoni instability, and the second is the external disturbance due to the residual acceleration of gravity, i.e., g-jitter. The axial distributions of DSD along the free surface are measured for several conditions. The critical parameters for the onset of oscillatory Marangoni convection are also measured for various aspect ratios (i.e., relative height to the diameter) of the liquid bridge and various thermal boundary conditions. The characteristics of DSD and the onset conditions of instability are discussed in this paper.

Surface and finite size effect on fluctuations dynamics in nanoparticles with long-range order

NASA Astrophysics Data System (ADS)

Morozovska, A. N.; Eliseev, E. A.

2010-02-01

The influence of surface and finite size on the dynamics of the order parameter fluctuations and critical phenomena in the three-dimensional (3D)-confined systems with long-range order was not considered theoretically. In this paper, we study the influence of surface and finite size on the dynamics of the order parameter fluctuations in the particles of arbitrary shape. We consider concrete examples of the spherical and cylindrical ferroic nanoparticles within Landau-Ginzburg-Devonshire phenomenological approach. Allowing for the strong surface energy contribution in micro and nanoparticles, the analytical expressions derived for the Ornstein-Zernike correlator of the long-range order parameter spatial-temporal fluctuations, dynamic generalized susceptibility, relaxation times, and correlation radii discrete spectra are different from those known for bulk systems. Obtained analytical expressions for the correlation function of the order parameter spatial-temporal fluctuations in micro and nanosized systems can be useful for the quantitative analysis of the dynamical structural factors determined from magnetic resonance diffraction and scattering spectra. Besides the practical importance of the correlation function for the analysis of the experimental data, derived expressions for the fluctuations strength determine the fundamental limits of phenomenological theories applicability for 3D-confined systems.

Application of Wavelet-Based Methods for Accelerating Multi-Time-Scale Simulation of Bistable Heterogeneous Catalysis

DOE PAGES

Gur, Sourav; Frantziskonis, George N.; Univ. of Arizona, Tucson, AZ; ...

2017-02-16

Here, we report results from a numerical study of multi-time-scale bistable dynamics for CO oxidation on a catalytic surface in a flowing, well-mixed gas stream. The problem is posed in terms of surface and gas-phase submodels that dynamically interact in the presence of stochastic perturbations, reflecting the impact of molecular-scale fluctuations on the surface and turbulence in the gas. Wavelet-based methods are used to encode and characterize the temporal dynamics produced by each submodel and detect the onset of sudden state shifts (bifurcations) caused by nonlinear kinetics. When impending state shifts are detected, a more accurate but computationally expensive integrationmore » scheme can be used. This appears to make it possible, at least in some cases, to decrease the net computational burden associated with simulating multi-time-scale, nonlinear reacting systems by limiting the amount of time in which the more expensive integration schemes are required. Critical to achieving this is being able to detect unstable temporal transitions such as the bistable shifts in the example problem considered here. Lastly, our results indicate that a unique wavelet-based algorithm based on the Lipschitz exponent is capable of making such detections, even under noisy conditions, and may find applications in critical transition detection problems beyond catalysis.« less

Revealing the Dynamics of Platinum Nanoparticle Catalysts on Carbon in Oxygen and Water Using Environmental TEM

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

Luo, Langli; Engelhard, Mark H.; Shao, Yuyan

Deactivation of supported metal nanoparticle catalysts, especially in relevant gas condition, is a critical challenge for many technological applications, including heterogeneous catalysis, electrocatalysis, fuel cells, biomedical imaging and drug delivery. It has been far more commonly realized that deactivation of catalysts stems from surface area loss due to particle coarsening, however, for which the mechanism remains largely unclear. Herein, we use aberration corrected environmental transmission electron microscopy, at atomic level, to in-situ observe the dynamics of Pt catalyst in fuel cell relevant gas conditions. Particles migration and coalescence is observed to be the dominant coarsening process. As compared with themore » case of H2O, O2 promotes Pt nanoparticle migration on carbon surface. Surprisingly, coating Pt/carbon with a nanofilm of electrolyte (Nafion ionomer) leads to a faster migration of Pt in H2O than in O2, a consequence of Nafion-carbon interface water “lubrication” effect. Atomically, the particles coalescence is featured by re-orientation of particles towards lattice matching, a process driven by orientation dependent van der Waals force. These results provide direct observations of dynamics of metal nanoparticles at critical surface/interface under relevant conditions and yield significant insights into the multi-phase interaction in related technological processes.« less

Altering Emulsion Stability with Heterogeneous Surface Wettability

NASA Astrophysics Data System (ADS)

Meng, Qiang; Zhang, Yali; Li, Jiang; Lammertink, Rob G. H.; Chen, Haosheng; Tsai, Peichun Amy

2016-06-01

Emulsions-liquid droplets dispersed in another immiscible liquid-are widely used in a broad spectrum of applications, including food, personal care, agrochemical, and pharmaceutical products. Emulsions are also commonly present in natural crude oil, hampering the production and quality of petroleum fuels. The stability of emulsions plays a crucial role in their applications, but controlling the stability without external driving forces has been proven to be difficult. Here we show how heterogeneous surface wettability can alter the stability and dynamics of oil-in-water emulsions, generated by a co-flow microfluidic device. We designed a useful methodology that can modify a micro-capillary of desired heterogeneous wettability (e.g., alternating hydrophilic and hydrophobic regions) without changing the hydraulic diameter. We subsequently investigated the effects of flow rates and heterogeneous wettability on the emulsion morphology and motion. The experimental data revealed a universal critical timescale of advective emulsions, above which the microfluidic emulsions remain stable and intact, whereas below they become adhesive or inverse. A simple theoretical model based on a force balance can be used to explain this critical transition of emulsion dynamics, depending on the droplet size and the Capillary number-the ratio of viscous to surface effects. These results give insight into how to control the stability and dynamics of emulsions in microfluidics with flow velocity and different wettability.

Instantaneous phase mapping deflectometry for dynamic deformable mirror characterization

NASA Astrophysics Data System (ADS)

Trumper, Isaac; Choi, Heejoo

2017-09-01

We present an instantaneous phase mapping deflectometry (PMD) system in the context of measuring a continuous surface deformable mirror (DM). Deflectometry has a high dynamic range, enabling the full range of surfaces generated by the DM to be measured. The recent development of an instantaneous PMD system leverages the simple setup of the PMD system to measure dynamic objects with accuracy similar to an interferometer. To demonstrate the capabilities of this technology, we perform a linearity measurement of the actuator motion in a continuous surface DM, which is critical for closed loop control in adaptive optics applications. We measure the entire set of actuators across the DM as they traverse their full range of motion with a Shack-Hartman wavefront sensor, thereby obtaining the influence function. Given the influence function of each actuator, the DM can produce specific Zernike terms on its surface. We then measure the linearity of the Zernike modes available in the DM software using the instantaneous PMD system. By obtaining the relationship between modes, we can more accurately generate surface profiles composed of Zernike terms. This ability is useful for other dynamic freeform metrology applications that utilize the DM as a null component.

Scale criticality in estimating ecosystem carbon dynamics

USGS Publications Warehouse

Zhao, Shuqing; Liu, Shuguang

2014-01-01

Scaling is central to ecology and Earth system sciences. However, the importance of scale (i.e. resolution and extent) for understanding carbon dynamics across scales is poorly understood and quantified. We simulated carbon dynamics under a wide range of combinations of resolution (nine spatial resolutions of 250 m, 500 m, 1 km, 2 km, 5 km, 10 km, 20 km, 50 km, and 100 km) and extent (57 geospatial extents ranging from 108 to 1 247 034 km2) in the southeastern United States to explore the existence of scale dependence of the simulated regional carbon balance. Results clearly show the existence of a critical threshold resolution for estimating carbon sequestration within a given extent and an error limit. Furthermore, an invariant power law scaling relationship was found between the critical resolution and the spatial extent as the critical resolution is proportional to An (n is a constant, and A is the extent). Scale criticality and the power law relationship might be driven by the power law probability distributions of land surface and ecological quantities including disturbances at landscape to regional scales. The current overwhelming practices without considering scale criticality might have largely contributed to difficulties in balancing carbon budgets at regional and global scales.

Mapping hydration dynamics and coupled water-protein fluctuations around a protein surface

NASA Astrophysics Data System (ADS)

Zhang, Luyuan; Wang, Lijuan; Kao, Ya-Ting; Qiu, Weihong; Yang, Yi; Okobiah, Oghaghare; Zhong, Dongping

2009-03-01

Elucidation of the molecular mechanism of water-protein interactions is critical to understanding many fundamental aspects of protein science, such as protein folding and misfolding and enzyme catalysis. We recently carried out a global mapping of protein-surface hydration dynamics around a globular α-helical protein apomyoglobin. The intrinsic optical probe tryptophan was employed to scan the protein surface one at a time by site-specific mutagenesis. With femtosecond resolution, we mapped out the dynamics of water-protein interactions with more than 20 mutants and for two states, native and molten globular. A robust bimodal distribution of time scales was observed, representing two types of water motions: local relaxation and protein-coupled fluctuations. The time scales show a strong correlation with the local protein structural rigidity and chemical identity. We also resolved two distinct contributions to the overall Stokes-shifts from the two time scales. These results are significant to understanding the role of hydration water on protein structural stability, dynamics and function.

Critical Slowing Down in Time-to-Extinction: An Example of Critical Phenomena in Ecology

NASA Technical Reports Server (NTRS)

Gandhi, Amar; Levin, Simon; Orszag, Steven

1998-01-01

We study a model for two competing species that explicitly accounts for effects due to discreteness, stochasticity and spatial extension of populations. The two species are equally preferred by the environment and do better when surrounded by others of the same species. We observe that the final outcome depends on the initial densities (uniformly distributed in space) of the two species. The observed phase transition is a continuous one and key macroscopic quantities like the correlation length of clusters and the time-to-extinction diverge at a critical point. Away from the critical point, the dynamics can be described by a mean-field approximation. Close to the critical point, however, there is a crossover to power-law behavior because of the gross mismatch between the largest and smallest scales in the system. We have developed a theory based on surface effects, which is in good agreement with the observed behavior. The course-grained reaction-diffusion system obtained from the mean-field dynamics agrees well with the particle system.

Critical Motor Number for Fractional Steps of Cytoskeletal Filaments in Gliding Assays

PubMed Central

Li, Xin; Lipowsky, Reinhard; Kierfeld, Jan

2012-01-01

In gliding assays, filaments are pulled by molecular motors that are immobilized on a solid surface. By varying the motor density on the surface, one can control the number of motors that pull simultaneously on a single filament. Here, such gliding assays are studied theoretically using Brownian (or Langevin) dynamics simulations and taking the local force balance between motors and filaments as well as the force-dependent velocity of the motors into account. We focus on the filament stepping dynamics and investigate how single motor properties such as stalk elasticity and step size determine the presence or absence of fractional steps of the filaments. We show that each gliding assay can be characterized by a critical motor number, . Because of thermal fluctuations, fractional filament steps are only detectable as long as . The corresponding fractional filament step size is where is the step size of a single motor. We first apply our computational approach to microtubules pulled by kinesin-1 motors. For elastic motor stalks that behave as linear springs with a zero rest length, the critical motor number is found to be , and the corresponding distributions of the filament step sizes are in good agreement with the available experimental data. In general, the critical motor number depends on the elastic stalk properties and is reduced to for linear springs with a nonzero rest length. Furthermore, is shown to depend quadratically on the motor step size . Therefore, gliding assays consisting of actin filaments and myosin-V are predicted to exhibit fractional filament steps up to motor number . Finally, we show that fractional filament steps are also detectable for a fixed average motor number as determined by the surface density (or coverage) of the motors on the substrate surface. PMID:22927953

Sustaining dry surfaces under water

PubMed Central

Jones, Paul R.; Hao, Xiuqing; Cruz-Chu, Eduardo R.; Rykaczewski, Konrad; Nandy, Krishanu; Schutzius, Thomas M.; Varanasi, Kripa K.; Megaridis, Constantine M.; Walther, Jens H.; Koumoutsakos, Petros; Espinosa, Horacio D.; Patankar, Neelesh A.

2015-01-01

Rough surfaces immersed under water remain practically dry if the liquid-solid contact is on roughness peaks, while the roughness valleys are filled with gas. Mechanisms that prevent water from invading the valleys are well studied. However, to remain practically dry under water, additional mechanisms need consideration. This is because trapped gas (e.g. air) in the roughness valleys can dissolve into the water pool, leading to invasion. Additionally, water vapor can also occupy the roughness valleys of immersed surfaces. If water vapor condenses, that too leads to invasion. These effects have not been investigated, and are critically important to maintain surfaces dry under water. In this work, we identify the critical roughness scale, below which it is possible to sustain the vapor phase of water and/or trapped gases in roughness valleys – thus keeping the immersed surface dry. Theoretical predictions are consistent with molecular dynamics simulations and experiments. PMID:26282732

Membrane dynamics of dividing cells imaged by lattice light-sheet microscopy

PubMed Central

Aguet, François; Upadhyayula, Srigokul; Gaudin, Raphaël; Chou, Yi-ying; Cocucci, Emanuele; He, Kangmin; Chen, Bi-Chang; Mosaliganti, Kishore; Pasham, Mithun; Skillern, Wesley; Legant, Wesley R.; Liu, Tsung-Li; Findlay, Greg; Marino, Eric; Danuser, Gaudenz; Megason, Sean; Betzig, Eric; Kirchhausen, Tom

2016-01-01

Membrane remodeling is an essential part of transferring components to and from the cell surface and membrane-bound organelles and for changes in cell shape, which are particularly critical during cell division. Earlier analyses, based on classical optical live-cell imaging and mostly restricted by technical necessity to the attached bottom surface, showed persistent formation of endocytic clathrin pits and vesicles during mitosis. Taking advantage of the resolution, speed, and noninvasive illumination of the newly developed lattice light-sheet fluorescence microscope, we reexamined their assembly dynamics over the entire cell surface and found that clathrin pits form at a lower rate during late mitosis. Full-cell imaging measurements of cell surface area and volume throughout the cell cycle of single cells in culture and in zebrafish embryos showed that the total surface increased rapidly during the transition from telophase to cytokinesis, whereas cell volume increased slightly in metaphase and was relatively constant during cytokinesis. These applications demonstrate the advantage of lattice light-sheet microscopy and enable a new standard for imaging membrane dynamics in single cells and multicellular assemblies. PMID:27535432

Closing the Seasonal Ocean Surface Temperature Balance in the Eastern Tropical Oceans from Remote Sensing and Model Reanalyses

NASA Technical Reports Server (NTRS)

Roberts, J. Brent; Clayson, C. A.

2012-01-01

Residual forcing necessary to close the MLTB on seasonal time scales are largest in regions of strongest surface heat flux forcing. Identifying the dominant source of error - surface heat flux error, mixed layer depth estimation, ocean dynamical forcing - remains a challenge in the eastern tropical oceans where ocean processes are very active. Improved sub-surface observations are necessary to better constrain errors. 1. Mixed layer depth evolution is critical to the seasonal evolution of mixed layer temperatures. It determines the inertia of the mixed layer, and scales the sensitivity of the MLTB to errors in surface heat flux and ocean dynamical forcing. This role produces timing impacts for errors in SST prediction. 2. Errors in the MLTB are larger than the historical 10Wm-2 target accuracy. In some regions, a larger accuracy can be tolerated if the goal is to resolve the seasonal SST cycle.

Local stability of galactic discs in modified dynamics

NASA Astrophysics Data System (ADS)

Shenavar, Hossein; Ghafourian, Neda

2018-04-01

The local stability of stellar and fluid discs, under a new modified dynamical model, is surveyed by using WKB approximation. The exact form of the modified Toomre criterion is derived for both types of systems and it is shown that the new model is, in all situations, more locally stable than Newtonian model. In addition, it has been proved that the central surface density of the galaxies plays an important role in the local stability in the sense that low surface brightness (LSB) galaxies are more stable than high surface brightness (HSBs). Furthermore, the growth rate in the new model is found to be lower than the Newtonian one. We found that, according to this model, the local instability is related to the ratio of surface density of the disc to a critical surface density Σcrit. We provide observational evidence to support this result based on star formation rate in HSBs and LSBs.

Nuclear power technology requirements for NASA exploration missions

NASA Technical Reports Server (NTRS)

Bloomfield, Harvey S.

1990-01-01

It is pointed out that future exploration of the moon and Mars will mandate developments in many areas of technology. In particular, major advances will be required in planet surface power systems. Critical nuclear technology challenges that can enable strategic self-sufficiency, acceptable operational costs, and cost-effective space transportation goals for NASA exploration missions have been identified. Critical technologies for surface power systems include stationary and mobile nuclear reactor and radioisotope heat sources coupled to static and dynamic power conversion devices. These technologies can provide dramatic reductions in mass, leading to operational and transportation cost savings. Critical technologies for space transportation systems include nuclear thermal rocket and nuclear electric propulsion options, which present compelling concepts for significantly reducing mass, cost, or travel time required for Earth-Mars transport.

Influence of surfactant on the drop bag breakup in a continuous air jet stream

NASA Astrophysics Data System (ADS)

Zhao, Hui; Zhang, Wen-Bin; Xu, Jian-Liang; Li, Wei-Feng; Liu, Hai-Feng

2016-05-01

The deformation and breakup of surfactant-laden drops is a common phenomenon in nature and numerous practical applications. We investigate influence of surfactant on the drop bag breakup in a continuous air jet stream. The airflow would induce the advection diffusion of surfactant between interface and bulk of drop. Experiments indicate that the convective motions of deforming drop would induce the non-equilibrium distribution of surfactant, which leads to the change of surface tension. When the surfactant concentration is smaller than critical micelle concentration (CMC), with the increase of surface area of drop, the surface tension of liquid-air interface and the critical Weber number will increase. When the surfactant concentration is bigger than CMC, the micelle can be considered as the source term, which can supply the monomers. So in the presence of surfactant, there would be the significant nonlinear variation on the critical Weber number of bag breakup. We build the dynamic non-monotonic relationship between concentrations of surfactant and critical Weber number theoretically. In the range of parameters studied, the experimental results are consistent with the model estimates.

The determination of temperature stability of silver nanotubes by the molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Filatov, O.; Soldatenko, S.; Soldatenko, O.

2018-04-01

Molecular dynamics simulation using the embedded-atom method is applied to study thermal stability of silver nanotubes and its coefficient of linear thermal expansion. The correspondence of face centered cubic structure potential for this task is tested. Three types of nanotubes are modelled: scrolled from graphene-like plane, scrolled from plane with cubic structure and cut from cylinder. It is established that only the last two of them are stable. The last one describes in details. There is critical temperature when free ends of the nanotube close but the interior surface retains. At higher temperatures, the interior surface collapses and the nanotube is unstable.

Two-actor conflict with time delay: A dynamical model

NASA Astrophysics Data System (ADS)

Qubbaj, Murad R.; Muneepeerakul, Rachata

2012-11-01

Recent mathematical dynamical models of the conflict between two different actors, be they nations, groups, or individuals, have been developed that are capable of predicting various outcomes depending on the chosen feedback strategies, initial conditions, and the previous states of the actors. In addition to these factors, this paper examines the effect of time delayed feedback on the conflict dynamics. Our analysis shows that under certain initial and feedback conditions, a stable neutral equilibrium of conflict may destabilize for some critical values of time delay, and the two actors may evolve to new emotional states. We investigate the results by constructing critical delay surfaces for different sets of parameters and analyzing results from numerical simulations. These results provide new insights regarding conflict and conflict resolution and may help planners in adjusting and assessing their strategic decisions.

Anomalous critical slowdown at a first order phase transition in single polymer chains.

PubMed

Zhang, Shuangshuang; Qi, Shuanhu; Klushin, Leonid I; Skvortsov, Alexander M; Yan, Dadong; Schmid, Friederike

2017-08-14

Using Brownian dynamics, we study the dynamical behavior of a polymer grafted onto an adhesive surface close to the mechanically induced adsorption-stretching transition. Even though the transition is first order (in the infinite chain length limit, the stretching degree of the chain jumps discontinuously), the characteristic relaxation time is found to grow according to a power law as the transition point is approached. We present a dynamic effective interface model which reproduces these observations and provides an excellent quantitative description of the simulation data. The generic nature of the theoretical model suggests that the unconventional mixing of features that are characteristic for first-order transitions (a jump in an order parameter) and features that are characteristic of critical points (an anomalous slowdown) may be a common phenomenon in force-driven phase transitions of macromolecules.

Flow rate limitation in open wedge channel under microgravity

NASA Astrophysics Data System (ADS)

Wei, YueXing; Chen, XiaoQian; Huang, YiYong

2013-08-01

A study of flow rate limitation in an open wedge channel is reported in this paper. Under microgravity condition, the flow is controlled by the convection and the viscosity in the channel as well as the curvature of the liquid free surface. A maximum flow rate is achieved when the curvature cannot balance the pressure difference leading to a collapse of the free surface. A 1-dimensional theoretical model is used to predict the critical flow rate and calculate the shape of the free surface. Computational Fluid Dynamics tool is also used to simulate the phenomenon. Results show that the 1-dimensional model overestimates the critical flow rate because extra pressure loss is not included in the governing equation. Good agreement is found in 3-dimensional simulation results. Parametric study with different wedge angles and channel lengths show that the critical flow rate increases with increasing the cross section area; and decreases with increasing the channel length. The work in this paper can help understand the surface collapsing without gravity and for the design in propellant management devices in satellite tanks.

Smooth perfluorinated surfaces with different chemical and physical natures: their unusual dynamic dewetting behavior toward polar and nonpolar liquids.

PubMed

Cheng, Dalton F; Masheder, Benjamin; Urata, Chihiro; Hozumi, Atsushi

2013-09-10

The effects of surface chemistry and the mobility of surface-tethered functional groups of various perfluorinated surfaces on their dewetting behavior toward polar (water) and nonpolar (n-hexadecane, n-dodecane, and n-decane) liquids were investigated. In this study, three types of common smooth perfluorinated surfaces, that is, a perfluoroalkylsilane (heptadecafluoro-1,1,2,2-tetrahydrooctyl-dimethylchlorosilane, FAS17) monomeric layer, an amorphous fluoropolymer film (Teflon AF 1600), and a perfluorinated polyether (PFPE)-terminated polymer brush film (Optool DSX), were prepared and their static/dynamic dewetting characteristics were compared. Although the apparent static contact angles (CAs) of these surfaces with all probe liquids were almost identical to each other, the ease of movement of liquid drops critically depended on the physical (solidlike or liquidlike) natures of the substrate surface. CA hysteresis and substrate tilt angles (TAs) of all probe liquids on the Optool DSX surface were found to be much lower than those of Teflon AF1600 and FAS17 surfaces due to its physical polymer chain mobility at room temperature and the resulting liquidlike nature. Only 6.0° of substrate incline was required to initiate movement for a small drop (5 μL) of n-decane, which was comparable to the reported substrate TA value (5.3°) for a superoleophobic surface (θ(S) > 160°, textured perfluorinated surface). Such unusual dynamic dewetting behavior of the Optool DSX surface was also markedly enhanced due to the significant increase in the chain mobility of PFPE by moderate heating (70 °C) of the surface, with substrate TA reducing to 3.0°. CA hysteresis and substrate TAs rather than static CAs were therefore determined to be of greater consequence for the estimation of the actual dynamic dewetting behavior of alkane probe liquids on these smooth perfluorinated surfaces. Their dynamic dewettability toward alkane liquids is in the order of Optool DSX > Teflon AF1600 ≈ FAS17.

Parallel Processing and Scientific Applications

DTIC Science & Technology

1992-11-30

Lattice QCD Calculations on the Connection Machine), SIAM News 24, 1 (May 1991) 5. C. F. Baillie and D. A. Johnston, Crumpling Dynamically Triangulated...hypercubic lattice ; in the second, the surface is randomly triangulated once at the beginning of the simulation; and in the third the random...Sharpe, QCD with Dynamical Wilson Fermions 1I, Phys. Rev. D44, 3272 (1991), 8. R. Gupta and C. F. Baillie, Critical Behavior of the 2D XY Model, Phys

Critical heat flux maxima during boiling crisis on textured surfaces

PubMed Central

Dhillon, Navdeep Singh; Buongiorno, Jacopo; Varanasi, Kripa K.

2015-01-01

Enhancing the critical heat flux (CHF) of industrial boilers by surface texturing can lead to substantial energy savings and global reduction in greenhouse gas emissions, but fundamentally this phenomenon is not well understood. Prior studies on boiling crisis indicate that CHF monotonically increases with increasing texture density. Here we report on the existence of maxima in CHF enhancement at intermediate texture density using measurements on parametrically designed plain and nano-textured micropillar surfaces. Using high-speed optical and infrared imaging, we study the dynamics of dry spot heating and rewetting phenomena and reveal that the dry spot heating timescale is of the same order as that of the gravity and liquid imbibition-induced dry spot rewetting timescale. Based on these insights, we develop a coupled thermal-hydraulic model that relates CHF enhancement to rewetting of a hot dry spot on the boiling surface, thereby revealing the mechanism governing the hitherto unknown CHF enhancement maxima. PMID:26346098

Mechanochemical Association Reaction of Interfacial Molecules Driven by Shear.

PubMed

Khajeh, Arash; He, Xin; Yeon, Jejoon; Kim, Seong H; Martini, Ashlie

2018-05-29

Shear-driven chemical reaction mechanisms are poorly understood because the relevant reactions are often hidden between two solid surfaces moving in relative motion. Here, this phenomenon is explored by characterizing shear-induced polymerization reactions that occur during vapor phase lubrication of α-pinene between sliding hydroxylated and dehydroxylated silica surfaces, complemented by reactive molecular dynamics simulations. The results suggest that oxidative chemisorption of the α-pinene molecules at reactive surface sites, which transfers oxygen atoms from the surface to the adsorbate molecule, is the critical activation step. Such activation takes place more readily on the dehydroxylated surface. During this activation, the most strained part of the α-pinene molecules undergoes a partial distortion from its equilibrium geometry, which appears to be related to the critical activation volume for mechanical activation. Once α-pinene molecules are activated, association reactions occur between the newly attached oxygen and one of the carbon atoms in another molecule, forming ether bonds. These findings have general implications for mechanochemistry because they reveal that shear-driven reactions may occur through reaction pathways very different from their thermally induced counterparts and specifically the critical role of molecular distortion in such reactions.

Combined Molecular Dynamics Simulation-Molecular-Thermodynamic Theory Framework for Predicting Surface Tensions.

PubMed

Sresht, Vishnu; Lewandowski, Eric P; Blankschtein, Daniel; Jusufi, Arben

2017-08-22

A molecular modeling approach is presented with a focus on quantitative predictions of the surface tension of aqueous surfactant solutions. The approach combines classical Molecular Dynamics (MD) simulations with a molecular-thermodynamic theory (MTT) [ Y. J. Nikas, S. Puvvada, D. Blankschtein, Langmuir 1992 , 8 , 2680 ]. The MD component is used to calculate thermodynamic and molecular parameters that are needed in the MTT model to determine the surface tension isotherm. The MD/MTT approach provides the important link between the surfactant bulk concentration, the experimental control parameter, and the surfactant surface concentration, the MD control parameter. We demonstrate the capability of the MD/MTT modeling approach on nonionic alkyl polyethylene glycol surfactants at the air-water interface and observe reasonable agreement of the predicted surface tensions and the experimental surface tension data over a wide range of surfactant concentrations below the critical micelle concentration. Our modeling approach can be extended to ionic surfactants and their mixtures with both ionic and nonionic surfactants at liquid-liquid interfaces.

Marangoni-driven chemotaxis, chemotactic collapse, and the Keller-Segel equation

NASA Astrophysics Data System (ADS)

Shelley, Michael; Masoud, Hassan

2013-11-01

Almost by definition, chemotaxis involves the biased motion of motile particles along gradients of a chemical concentration field. Perhaps the most famous model for collective chemotaxis in mathematical biology is the Keller-Segel model, conceived to describe collective aggregation of slime mold colonies in response to an intrinsically produced, and diffusing, chemo-attractant. Heavily studied, particularly in 2D where the system is ``super-critical'', it has been proved that the KS model can develop finite-time singularities - so-called chemotactic collapse - of delta-function type. Here, we study the collective dynamics of immotile particles bound to a 2D interface above a 3D fluid. These particles are chemically active and produce a diffusing field that creates surface-tension gradients along the surface. The resultant Marangoni stresses create flows that carry the particles, possibly concentrating them. Remarkably, we show that this system involving 3D diffusion and fluid dynamics, exactly yields the 2D Keller-Segel model for the surface-flow of active particles. We discuss the consequences of collapse on the 3D fluid dynamics, and generalizations of the fluid-dynamical model.

Identification of an evolutionarily conserved extracellular threonine residue critical for surface expression and its potential coupling of adjacent voltage-sensing and gating domains in voltage-gated potassium channels.

PubMed

Mckeown, Lynn; Burnham, Matthew P; Hodson, Charlotte; Jones, Owen T

2008-10-31

The dynamic expression of voltage-gated potassium channels (Kvs) at the cell surface is a fundamental factor controlling membrane excitability. In exploring possible mechanisms controlling Kv surface expression, we identified a region in the extracellular linker between the first and second of the six (S1-S6) transmembrane-spanning domains of the Kv1.4 channel, which we hypothesized to be critical for its biogenesis. Using immunofluorescence microscopy, flow cytometry, patch clamp electrophysiology, and mutagenesis, we identified a single threonine residue at position 330 within the Kv1.4 S1-S2 linker that is absolutely required for cell surface expression. Mutation of Thr-330 to an alanine, aspartate, or lysine prevented surface expression. However, surface expression occurred upon co-expression of mutant and wild type Kv1.4 subunits or mutation of Thr-330 to a serine. Mutation of the corresponding residue (Thr-211) in Kv3.1 to alanine also caused intracellular retention, suggesting that the conserved threonine plays a generalized role in surface expression. In support of this idea, sequence comparisons showed conservation of the critical threonine in all Kv families and in organisms across the evolutionary spectrum. Based upon the Kv1.2 crystal structure, further mutagenesis, and the partial restoration of surface expression in an electrostatic T330K bridging mutant, we suggest that Thr-330 hydrogen bonds to equally conserved outer pore residues, which may include a glutamate at position 502 that is also critical for surface expression. We propose that Thr-330 serves to interlock the voltage-sensing and gating domains of adjacent monomers, thereby yielding a structure competent for the surface expression of functional tetramers.

A numerical investigation of the effect of surface wettability on the boiling curve.

PubMed

Hsu, Hua-Yi; Lin, Ming-Chieh; Popovic, Bridget; Lin, Chii-Ruey; Patankar, Neelesh A

2017-01-01

Surface wettability is recognized as playing an important role in pool boiling and the corresponding heat transfer curve. In this work, a systematic study of pool boiling heat transfer on smooth surfaces of varying wettability (contact angle range of 5° - 180°) has been conducted and reported. Based on numerical simulations, boiling curves are calculated and boiling dynamics in each regime are studied using a volume-of-fluid method with contact angle model. The calculated trends in critical heat flux and Leidenfrost point as functions of surface wettability are obtained and compared with prior experimental and theoretical predictions, giving good agreement. For the first time, the effect of contact angle on the complete boiling curve is shown. It is demonstrated that the simulation methodology can be used for studying pool boiling and related dynamics and providing more physical insights.

A numerical investigation of the effect of surface wettability on the boiling curve

PubMed Central

Lin, Ming-Chieh; Popovic, Bridget; Lin, Chii-Ruey; Patankar, Neelesh A.

2017-01-01

Surface wettability is recognized as playing an important role in pool boiling and the corresponding heat transfer curve. In this work, a systematic study of pool boiling heat transfer on smooth surfaces of varying wettability (contact angle range of 5° − 180°) has been conducted and reported. Based on numerical simulations, boiling curves are calculated and boiling dynamics in each regime are studied using a volume-of-fluid method with contact angle model. The calculated trends in critical heat flux and Leidenfrost point as functions of surface wettability are obtained and compared with prior experimental and theoretical predictions, giving good agreement. For the first time, the effect of contact angle on the complete boiling curve is shown. It is demonstrated that the simulation methodology can be used for studying pool boiling and related dynamics and providing more physical insights. PMID:29125847

Directing Stem Cell Differentiation via Electrochemical Reversible Switching between Nanotubes and Nanotips of Polypyrrole Array.

PubMed

Wei, Yan; Mo, Xiaoju; Zhang, Pengchao; Li, Yingying; Liao, Jingwen; Li, Yongjun; Zhang, Jinxing; Ning, Chengyun; Wang, Shutao; Deng, Xuliang; Jiang, Lei

2017-06-27

Control of stem cell behaviors at solid biointerfaces is critical for stem-cell-based regeneration and generally achieved by engineering chemical composition, topography, and stiffness. However, the influence of dynamic stimuli at the nanoscale from solid biointerfaces on stem cell fate remains unclear. Herein, we show that electrochemical switching of a polypyrrole (Ppy) array between nanotubes and nanotips can alter surface adhesion, which can strongly influence mechanotransduction activation and guide differentiation of mesenchymal stem cells (MSCs). The Ppy array, prepared via template-free electrochemical polymerization, can be reversibly switched between highly adhesive hydrophobic nanotubes and poorly adhesive hydrophilic nanotips through an electrochemical oxidation/reduction process, resulting in dynamic attachment and detachment to MSCs at the nanoscale. Multicyclic attachment/detachment of the Ppy array to MSCs can activate intracellular mechanotransduction and osteogenic differentiation independent of surface stiffness and chemical induction. This smart surface, permitting transduction of nanoscaled dynamic physical inputs into biological outputs, provides an alternative to classical cell culture substrates for regulating stem cell fate commitment. This study represents a general strategy to explore nanoscaled interactions between stem cells and stimuli-responsive surfaces.

Multicomponent Droplet Evaporation on Chemical Micro-Patterned Surfaces

PubMed Central

He, Minghao; Liao, Dong; Qiu, Huihe

2017-01-01

The evaporation and dynamics of a multicomponent droplet on a heated chemical patterned surface were presented. Comparing to the evaporation process of a multicomponent droplet on a homogenous surface, it is found that the chemical patterned surface can not only enhance evaporation by elongating the contact line, but also change the evaporation process from three regimes for the homogenous surface including constant contact line (CCL) regime, constant contact angle (CCA) regime and mix mode (MM) to two regimes, i.e. constant contact line (CCL) and moving contact line (MCL) regimes. The mechanism of contact line stepwise movement in MCL regimes in the microscopic range is investigated in detail. In addition, an improved local force model on the contact line was employed for analyzing the critical receding contact angles on homogenous and patterned surfaces. The analysis results agree well for both surfaces, and confirm that the transition from CCL to MCL regimes indicated droplet composition changes from multicomponent to monocomponent, providing an important metric to predict and control the dynamic behavior and composition of a multicomponent droplet using a patterned surface. PMID:28157229

The Role of Electronic Excitations on Chemical Reaction Dynamics at Metal, Semiconductor and Nanoparticle Surfaces

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

Tully, John C.

Chemical reactions are often facilitated and steered when carried out on solid surfaces, essential for applications such as heterogeneous catalysis, solar energy conversion, corrosion, materials processing, and many others. A critical factor that can determine the rates and pathways of chemical reactions at surfaces is the efficiency and specificity of energy transfer; how fast does energy move around and where does it go? For reactions on insulator surfaces energy transfer generally moves in and out of vibrations of the adsorbed molecule and the underlying substrate. By contrast, on metal surfaces, metallic nanoparticles and semiconductors, another pathway for energy flow opensmore » up, excitation and de-excitation of electrons. This so-called “nonadiabatic” mechanism often dominates the transfer of energy and can directly impact the course of a chemical reaction. Conventional computational methods such as molecular dynamics simulation do not account for this nonadiabatic behavior. The current DOE-BES funded project has focused on developing the underlying theoretical foundation and the computational methodology for the prediction of nonadiabatic chemical reaction dynamics at surfaces. The research has successfully opened up new methodology and new applications for molecular simulation. In particular, over the last three years, the “Electronic Friction” theory, pioneered by the PI, has now been developed into a stable and accurate computational method that is sufficiently practical to allow first principles “on-the-fly” simulation of chemical reaction dynamics at metal surfaces.« less

Tuning Superhydrophobic Nanostructures To Enhance Jumping-Droplet Condensation

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

Mulroe, Megan D.; Srijanto, Bernadeta R.; Ahmadi, S. Farzad

It was recently discovered that condensation growing on a nanostructured superhydrophobic surface can spontaneously jump off the surface, triggered by naturally occurring coalescence events. Many reports have observed that droplets must grow to a size of order 10 μm before jumping is enabled upon coalescence; however, it remains unknown how the critical jumping size relates to the topography of the underlying nanostructure. Here, we characterize the dynamic behavior of condensation growing on six different superhydrophobic nanostructures, where the topography of the nanopillars was systematically varied. The critical jumping diameter was observed to be highly dependent upon the height, diameter, andmore » pitch of the nanopillars: tall and slender nanopillars promoted 2 μm jumping droplets while short and stout nanopillars increased the critical size to over 20 μm. The topology of each surface is successfully correlated to the critical jumping diameter by constructing an energetic model that predicts how large a nucleating embryo needs to grow before it can inflate into the air with an apparent contact angle large enough for jumping. Furthermore, by extending our model to consider any possible surface, it is revealed that properly designed nanostructures should enable nanometric jumping droplets, which would further enhance jumping droplet condensers for heat transfer, anti-fogging, and anti-frosting applications.« less

Tuning Superhydrophobic Nanostructures To Enhance Jumping-Droplet Condensation

DOE PAGES

Mulroe, Megan D.; Srijanto, Bernadeta R.; Ahmadi, S. Farzad; ...

2017-07-18

It was recently discovered that condensation growing on a nanostructured superhydrophobic surface can spontaneously jump off the surface, triggered by naturally occurring coalescence events. Many reports have observed that droplets must grow to a size of order 10 μm before jumping is enabled upon coalescence; however, it remains unknown how the critical jumping size relates to the topography of the underlying nanostructure. Here, we characterize the dynamic behavior of condensation growing on six different superhydrophobic nanostructures, where the topography of the nanopillars was systematically varied. The critical jumping diameter was observed to be highly dependent upon the height, diameter, andmore » pitch of the nanopillars: tall and slender nanopillars promoted 2 μm jumping droplets while short and stout nanopillars increased the critical size to over 20 μm. The topology of each surface is successfully correlated to the critical jumping diameter by constructing an energetic model that predicts how large a nucleating embryo needs to grow before it can inflate into the air with an apparent contact angle large enough for jumping. Furthermore, by extending our model to consider any possible surface, it is revealed that properly designed nanostructures should enable nanometric jumping droplets, which would further enhance jumping droplet condensers for heat transfer, anti-fogging, and anti-frosting applications.« less

Comparison of algorithms and parameterisations for infiltration into organic-covered permafrost soils

USDA-ARS?s Scientific Manuscript database

Infiltration into frozen and unfrozen soils is critical in hydrology, controlling active layer soil water dynamics and influencing runoff. Few Land Surface Models (LSMs) and Hydrological Models (HMs) have been developed, adapted or tested for frozen conditions and permafrost soils. Considering the v...

Robust passive dynamics of the musculoskeletal system compensate for unexpected surface changes during human hopping

PubMed Central

van der Krogt, Marjolein M.; de Graaf, Wendy W.; Farley, Claire T.; Moritz, Chet T.; Richard Casius, L. J.; Bobbert, Maarten F.

2009-01-01

When human hoppers are surprised by a change in surface stiffness, they adapt almost instantly by changing leg stiffness, implying that neural feedback is not necessary. The goal of this simulation study was first to investigate whether leg stiffness can change without neural control adjustment when landing on an unexpected hard or unexpected compliant (soft) surface, and second to determine what underlying mechanisms are responsible for this change in leg stiffness. The muscle stimulation pattern of a forward dynamic musculoskeletal model was optimized to make the model match experimental hopping kinematics on hard and soft surfaces. Next, only surface stiffness was changed to determine how the mechanical interaction of the musculoskeletal model with the unexpected surface affected leg stiffness. It was found that leg stiffness adapted passively to both unexpected surfaces. On the unexpected hard surface, leg stiffness was lower than on the soft surface, resulting in close-to-normal center of mass displacement. This reduction in leg stiffness was a result of reduced joint stiffness caused by lower effective muscle stiffness. Faster flexion of the joints due to the interaction with the hard surface led to larger changes in muscle length, while the prescribed increase in active state and resulting muscle force remained nearly constant in time. Opposite effects were found on the unexpected soft surface, demonstrating the bidirectional stabilizing properties of passive dynamics. These passive adaptations to unexpected surfaces may be critical when negotiating disturbances during locomotion across variable terrain. PMID:19589956

Oscillatory vapour shielding of liquid metal walls in nuclear fusion devices.

PubMed

van Eden, G G; Kvon, V; van de Sanden, M C M; Morgan, T W

2017-08-04

Providing an efficacious plasma facing surface between the extreme plasma heat exhaust and the structural materials of nuclear fusion devices is a major challenge on the road to electricity production by fusion power plants. The performance of solid plasma facing surfaces may become critically reduced over time due to progressing damage accumulation. Liquid metals, however, are now gaining interest in solving the challenge of extreme heat flux hitting the reactor walls. A key advantage of liquid metals is the use of vapour shielding to reduce the plasma exhaust. Here we demonstrate that this phenomenon is oscillatory by nature. The dynamics of a Sn vapour cloud are investigated by exposing liquid Sn targets to H and He plasmas at heat fluxes greater than 5 MW m -2 . The observations indicate the presence of a dynamic equilibrium between the plasma and liquid target ruled by recombinatory processes in the plasma, leading to an approximately stable surface temperature.Vapour shielding is one of the interesting mechanisms for reducing the heat load to plasma facing components in fusion reactors. Here the authors report on the observation of a dynamic equilibrium between the plasma and the divertor liquid Sn surface leading to an overall stable surface temperature.

Design and test of three active flutter suppression controllers

NASA Technical Reports Server (NTRS)

Christhilf, David M.; Waszak, Martin R.; Adams, William M.; Srinathkumar, S.; Mukhopadhyay, Vivek

1991-01-01

Three flutter suppression control law design techniques are presented. Each uses multiple control surfaces and/or sensors. The first uses linear combinations of several accelerometer signals together with dynamic compensation to synthesize the modal rate of the critical mode for feedback to distributed control surfaces. The second uses traditional tools (pole/zero loci and Nyquist diagrams) to develop a good understanding of the flutter mechanism and produce a controller with minimal complexity and good robustness to plant uncertainty. The third starts with a minimum energy Linear Quadratic Gaussian controller, applies controller order reduction, and then modifies weight and noise covariance matrices to improve multi-variable robustness. The resulting designs were implemented digitally and tested subsonically on the Active Flexible Wing (AFW) wind tunnel model. Test results presented here include plant characteristics, maximum attained closed-loop dynamic pressure, and Root Mean Square control surface activity. A key result is that simultaneous symmetric and antisymmetric flutter suppression was achieved by the second control law, with a 24 percent increase in attainable dynamic pressure.

Nonlinear dynamic model of a gear-rotor-bearing system considering the flash temperature

NASA Astrophysics Data System (ADS)

Gou, Xiangfeng; Zhu, Lingyun; Qi, Changjun

2017-12-01

The instantaneous flash temperature is an important factor for gears in service. To investigate the effect of the flash temperature of a tooth surface on the dynamics of the spur gear system, a modified nonlinear dynamic model of a gear-rotor-bearing system is established. The factors such as the contact temperature of the tooth surface, time-varying stiffness, tooth surface friction, backlash, the comprehensive transmission error and so on are considered. The flash temperature of a tooth surface of pinion and gear is formulated according to Blok's flash temperature theory. The mathematical expression of the contact temperature of the tooth surface varied with time is derived and the tooth profile deformation caused by the change of the flash temperature of the tooth surface is calculated. The expression of the mesh stiffness varied with the flash temperature of the tooth surface is derived based on Hertz contact theory. The temperature stiffness is proposed and added to the nonlinear dynamic model of the system. The influence of load on the flash temperature of the tooth surface is analyzed in the parameters plane. The variation of the flash temperature of the tooth surface is studied. The numerical results indicate that the calculated method of the flash temperature of the gear tooth surface is effective and it can reflect the rules for the change of gear meshing temperature and sliding of the gear tooth surface. The effects of frequency, backlash, bearing clearance, comprehensive transmission error and time-varying stiffness on the nonlinear dynamics of the system are analyzed according to the bifurcation diagrams, Top Lyapunov Exponent (TLE) spectrums, phase portraits and Poincaré maps. Some nonlinear phenomena such as periodic bifurcation, grazing bifurcation, quasi-periodic bifurcation, chaos and its routes to chaos are investigated and the critical parameters are identified. The results provide an understanding of the system and serve as a useful reference in designing such systems.

Mars Observer: Phase 0 safety review data package

NASA Technical Reports Server (NTRS)

1986-01-01

The Mars Observer Program has as its primary objectives a study of the geochemistry, atmospheric dynamics, atmosphere/surface interactions, seasonal variations, and magnetic field characteristics of Mars. The Mars Observer Spacecraft, safety critical spacecraft subsystems, ground support equipment, ground operations scenario, requirements matrix, and equipment specifications are described.

Contact angle change during evaporation of near-critical liquids

NASA Astrophysics Data System (ADS)

Nikolayev, Vadim; Hegseth, John; Beysens, Daniel

1998-03-01

An unexpected change of the dynamic contact angle was recently observed in a near-critical liquid-gas system in a space experiment. While the near-critical liquid completely wets a solid under equilibrium conditions, the apparent contact angle changed from 0^circ to about 120^circ during evaporation. We propose an explanation for this phenomenon by taking into account vapor recoil due to evaporation (motion of the vapor from the free liquid surface). This force is normal to the vapor-liquid interface and is directed towards the liquid. It increases sharply near the triple contact line. Near the critical point, where the surface tension force is very weak, the vapor recoil force can be important enough to change the apparent contact angle. A similar effect can also explain the drying of a heater during boiling at high heat flux. The drying greatly reduces the heat transfer to the liquid causing the heater to melt. This phenomenon is called ``boiling crisis", ``burnout" or ``Departure from Nuclear Boiling".

What experiments on pinned nanobubbles can tell about the critical nucleus for bubble nucleation.

PubMed

Xiao, Qianxiang; Liu, Yawei; Guo, Zhenjiang; Liu, Zhiping; Frenkel, Daan; Dobnikar, Jure; Zhang, Xianren

2017-12-22

The process of homogeneous bubble nucleation is almost impossible to probe experimentally, except near the critical point or for liquids under large negative tension. Elsewhere in the phase diagram, the bubble nucleation barrier is so high as to be effectively insurmountable. Consequently, there is a severe lack of experimental studies of homogenous bubble nucleation under conditions of practical importance (e.g., cavitation). Here we use a simple geometric relation to show that we can obtain information about the homogeneous nucleation process from Molecular Dynamics studies of bubble formation in solvophobic nanopores on a solid surface. The free energy of pinned nanobubbles has two extrema as a function of volume: one state corresponds to a free-energy maximum ("the critical nucleus"), the other corresponds to a free-energy minimum (the metastable, pinned nanobubble). Provided that the surface tension does not depend on nanobubble curvature, the radius of the curvature of the metastable surface nanobubble is independent of the radius of the pore and is equal to the radius of the critical nucleus in homogenous bubble nucleation. This observation opens the way to probe the parameters that determine homogeneous bubble nucleation under experimentally accessible conditions, e.g. with AFM studies of metastable nanobubbles. Our theoretical analysis also indicates that a surface with pores of different sizes can be used to determine the curvature corrections to the surface tension. Our conclusions are not limited to bubble nucleation but suggest that a similar approach could be used to probe the structure of critical nuclei in crystal nucleation.

Critical motor number for fractional steps of cytoskeletal filaments in gliding assays.

PubMed

Li, Xin; Lipowsky, Reinhard; Kierfeld, Jan

2012-01-01

In gliding assays, filaments are pulled by molecular motors that are immobilized on a solid surface. By varying the motor density on the surface, one can control the number N of motors that pull simultaneously on a single filament. Here, such gliding assays are studied theoretically using brownian (or Langevin) dynamics simulations and taking the local force balance between motors and filaments as well as the force-dependent velocity of the motors into account. We focus on the filament stepping dynamics and investigate how single motor properties such as stalk elasticity and step size determine the presence or absence of fractional steps of the filaments. We show that each gliding assay can be characterized by a critical motor number, N(c). Because of thermal fluctuations, fractional filament steps are only detectable as long as N < N(c). The corresponding fractional filament step size is l/N where l is the step size of a single motor. We first apply our computational approach to microtubules pulled by kinesin-1 motors. For elastic motor stalks that behave as linear springs with a zero rest length, the critical motor number is found to be N(c) = 4, and the corresponding distributions of the filament step sizes are in good agreement with the available experimental data. In general, the critical motor number N(c) depends on the elastic stalk properties and is reduced to N(c) = 3 for linear springs with a nonzero rest length. Furthermore, N(c) is shown to depend quadratically on the motor step size l. Therefore, gliding assays consisting of actin filaments and myosin-V are predicted to exhibit fractional filament steps up to motor number N = 31. Finally, we show that fractional filament steps are also detectable for a fixed average motor number as determined by the surface density (or coverage) of the motors on the substrate surface.

Comment on and reinterpretation of Gabriel et Al. (2014) 'fish mercury and surface water sulfate relationships in the everglades protection area'.

PubMed

Julian, Paul; Gu, Binhe; Redfield, Garth

2015-01-01

Mercury (Hg) methylation and bioaccumulation is a major environmental issue in the Everglades Protection Area (EvPA). Therefore, it is critical to improve our predictive understanding of Hg dynamics. This commentary critically reviews a recently published manuscript concerning the possible relationship between Hg in fish tissue and surface water sulfate within EvPA marshes. The commentary addresses fundamental issues with the authors' data analysis, results and interpretation as well as highlights inconsistencies with published literature and the lack of support for their suggested ecosystem management actions. A number of chemical, biological, and physical factors influence Hg methylation and bioaccumulation, and water sulfate is sometimes viewed as a keystone factor, Gabriel et al. (2014) conclude that Hg bioaccumulation is favored at elevated sulfate concentrations, and suggest mitigation strategies to reduce sulfate inputs to the EvPA. A careful review of their data and conclusions reveals major flaws and in fact, a more straightforward and defensible interpretation of their data would be that no predictable relationship exists between fish tissue Hg and surface water sulfate concentrations in south Florida. Given the complexity of Hg cycling and the influence of trophic and habitat characteristics on aquatic consumer Hg accumulation, expecting one parameter to predict Hg accumulation dynamics within fish species within a dynamic marsh environment is unrealistic. Furthermore, proposing any management guidance from this relationship with little to no quantitative statistical analysis is inappropriate and misleading.

Early Stage of Oxidation on Titanium Surface by Reactive Molecular Dynamics Simulation

DOE PAGES

Yang, Liang; Wang, C. Z.; Lin, Shiwei; ...

2018-01-01

Understanding of metal oxidation is very critical to corrosion control, catalysis synthesis, and advanced materials engineering. Metal oxidation is a very complex phenomenon, with many different processes which are coupled and involved from the onset of reaction. In this work, the initial stage of oxidation on titanium surface was investigated in atomic scale by molecular dynamics (MD) simulations using a reactive force field (ReaxFF). We show that oxygen transport is the dominant process during the initial oxidation. Our simulation also demonstrate that a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Titaniummore » (0001) surface and further prevented oxidation in the deeper layers. As a result, the mechanism of initial oxidation observed in this work can be also applicable to other self-limiting oxidation.« less

Bubble Dynamics on a Heated Surface

NASA Technical Reports Server (NTRS)

Kassemi, M.; Rashidnia, N.

1999-01-01

In this work, we study steady and oscillatory thermocapillary and natural convective flows generated by a bubble on a heated solid surface. The interaction between gas and vapor bubbles with the surrounding fluid is of interest for both space and ground-based processing. A combined numerical-experimental approach is adopted here. The temperature field is visualized using Mach-Zehnder and/or Wollaston Prism Interferometry and the flow field is observed by a laser sheet flow visualization technique. A finite element numerical model is developed which solves the transient two-dimensional continuity, momentum, and energy equations and includes the effects of temperature-dependent surface tension and bubble surface deformation. Below the critical Marangoni number, the steady state low-g and 1-g temperature and velocity fields predicted by the finite element model are in excellent agreement with both the visualization experiments in our laboratory and recently published experimental results in the literature. Above the critical Marangoni number, the model predicts an oscillatory flow which is also closely confirmed by experiments. It is shown that the dynamics of the oscillatory flow are directly controlled by the thermal and hydrodynamic interactions brought about by combined natural and thermocapillary convection. Therefore, as numerical simulations show, there are considerable differences between the 1-g and low-g temperature and flow fields at both low and high Marangoni numbers. This has serious implications for both materials processing and fluid management in space.

Stability Calculation Method of Slope Reinforced by Prestressed Anchor in Process of Excavation

PubMed Central

Li, Zhong; Wei, Jia; Yang, Jun

2014-01-01

This paper takes the effect of supporting structure and anchor on the slope stability of the excavation process into consideration; the stability calculation model is presented for the slope reinforced by prestressed anchor and grillage beam, and the dynamic search model of the critical slip surface also is put forward. The calculation model of the optimal stability solution of each anchor tension of the whole process is also given out, through which the real-time analysis and checking of slope stability in the process of excavation can be realized. The calculation examples indicate that the slope stability is changed with the dynamic change of the design parameters of anchor and grillage beam. So it is relatively more accurate and reasonable by using dynamic search model to determine the critical slip surface of the slope reinforced by prestressed anchor and grillage beam. Through the relationships of each anchor layout and the slope height of various stages of excavation, and the optimal stability solution of prestressed bolt tension design value in various excavation stages can be obtained. The arrangement of its prestressed anchor force reflects that the layout of the lower part of bolt and the calculation of slope reinforcement is in line with the actual. These indicate that the method is reasonable and practical. PMID:24683319

Stability calculation method of slope reinforced by prestressed anchor in process of excavation.

PubMed

Li, Zhong; Wei, Jia; Yang, Jun

2014-01-01

This paper takes the effect of supporting structure and anchor on the slope stability of the excavation process into consideration; the stability calculation model is presented for the slope reinforced by prestressed anchor and grillage beam, and the dynamic search model of the critical slip surface also is put forward. The calculation model of the optimal stability solution of each anchor tension of the whole process is also given out, through which the real-time analysis and checking of slope stability in the process of excavation can be realized. The calculation examples indicate that the slope stability is changed with the dynamic change of the design parameters of anchor and grillage beam. So it is relatively more accurate and reasonable by using dynamic search model to determine the critical slip surface of the slope reinforced by prestressed anchor and grillage beam. Through the relationships of each anchor layout and the slope height of various stages of excavation, and the optimal stability solution of prestressed bolt tension design value in various excavation stages can be obtained. The arrangement of its prestressed anchor force reflects that the layout of the lower part of bolt and the calculation of slope reinforcement is in line with the actual. These indicate that the method is reasonable and practical.

Formation of protein/surfactant adsorption layer at the air/water interface as studied by dilational surface rheology.

PubMed

Mikhailovskaya, A A; Noskov, B A; Lin, S-Y; Loglio, G; Miller, R

2011-08-25

The dynamic dilatational surface elasticity of mixed solutions of globular proteins (β-lactoglobulin (BLG) and bovine serum albumin (BSA)) with cationic (dodecyltrimethylammonium bromide (DTAB)) and anionic (sodium dodecyl sulfate (SDS)) surfactants was measured as a function of the surfactant concentration and surface age. If the cationic surfactant concentration exceeds a certain critical value, the kinetic dependencies of the dynamic surface elasticity of BLG/DTAB and BSA/DTAB solutions become nonmonotonous and resemble those of mixed solutions of proteins with guanidine hydrochloride. This result indicates not only the destruction of the protein tertiary structure in the surface layer of mixed solution but also a strong perturbation of the secondary structure. The corresponding kinetic dependencies for protein solutions with added anionic surfactants are always monotonous, thereby revealing a different mechanism of the adsorption layer formation. One can assume that the secondary structure is destroyed to a lesser extent in the latter case and hinders the formation of loops and tails at the interface. The increase of the solution's ionic strength by the addition of sodium chloride results in stronger changes of the protein conformations in the surface layer and the appearance of a local maximum in the kinetic dependencies of the dynamic surface elasticity in a relatively narrow range of SDS concentration. © 2011 American Chemical Society

Reactive pathways of hydrogen and carbon removal from organosilicate glass low- κ films by F atoms

NASA Astrophysics Data System (ADS)

Voronina, Ekaterina N.; Mankelevich, Yuri A.; Rakhimova, Tatyana V.

2017-07-01

Direct molecular dynamic simulation on the base of the density functional theory (DFT) method is used to study some critical reactions of F atoms with organosilicate glass (OSG) low-κ films. Here static and dynamic DFT-based approaches are applied for a variety of reactive pathways of hydrogen and carbon removal in the form of volatile products (HF, CF2 and CF3 molecules) from initial SiCH3 surface groups. These reactions constitute an important part of the proposed multi-step mechanism of OSG films damage and etching by thermal F atoms. Two models (POSS and TMCTS macromolecules and their modifications) are used to illustrate the peculiarities and dynamics of the successive reactions of F atoms with the initial SiCH3 and appeared SiCHxFy (x + y ≤ 3) surface groups. Contribution to the Topical Issue "Dynamics of Molecular Systems (MOLEC 2016)", edited by Alberto Garcia-Vela, Luis Banares and Maria Luisa Senent.

Non-linear dynamics of compound sawteeth in tokamaks

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

Ahn, J.-H., E-mail: jae-heon.ahn@polytechnique.edu; Garbet, X.; Sabot, R.

2016-05-15

Compound sawteeth is studied with the XTOR-2F code. Non-linear full 3D magnetohydrodynamic simulations show that the plasma hot core is radially displaced and rotates during the partial crash, but is not fully expelled out of the q = 1 surface. Partial crashes occur when the radius of the q = 1 surface exceeds a critical value, at fixed poloidal beta. This critical value depends on the plasma elongation. The partial crash time is larger than the collapse time of an ordinary sawtooth, likely due to a weaker diamagnetic stabilization. This suggests that partial crashes result from a competition between destabilizing effects such as themore » q = 1 radius and diamagnetic stabilization.« less

Role of uncrosslinked chains in droplets dynamics on silicone elastomers.

PubMed

Hourlier-Fargette, Aurélie; Antkowiak, Arnaud; Chateauminois, Antoine; Neukirch, Sébastien

2017-05-21

We report an unexpected behavior in wetting dynamics on soft silicone substrates: the dynamics of aqueous droplets deposited on vertical plates of such elastomers exhibits two successive speed regimes. This macroscopic observation is found to be closely related to microscopic phenomena occurring at the scale of the polymer network: we show that uncrosslinked chains found in most widely used commercial silicone elastomers are responsible for this surprising behavior. A direct visualization of the uncrosslinked oligomers collected by water droplets is performed, evidencing that a capillarity-induced phase separation occurs: uncrosslinked oligomers are extracted from the silicone elastomer network by the water-glycerol mixture droplet. The sharp speed change is shown to coincide with an abrupt transition in surface tension of the droplets, when a critical surface concentration in uncrosslinked oligomer chains is reached. We infer that a droplet shifts to a second regime with a faster speed when it is completely covered with a homogeneous oil film.

Models for ecological models: Ocean primary productivity

USGS Publications Warehouse

Wikle, Christopher K.; Leeds, William B.; Hooten, Mevin B.

2016-01-01

The ocean accounts for more than 70% of planet Earth's surface, and it processes are critically important to marine and terrestrial life.  Ocean ecosystems are strongly dependent on the physical state of the ocean (e.g., transports, mixing, upwelling, runoff, and ice dynamics(.  As an example, consider the Coastal Gulf of Alaska (CGOA) region.

Oceanic biogeochemical controls on global dynamics of persistent organic pollutants.

PubMed

Dachs, Jordi; Lohmann, Rainer; Ockenden, Wendy A; Méjanelle, Laurence; Eisenreich, Steven J; Jones, Kevin C

2002-10-15

Understanding and quantifying the global dynamics and sinks of persistent organic pollutants (POPs) is important to assess their environmental impact and fate. Air-surface exchange processes, where temperature plays a central role in controlling volatilization and deposition, are of key importance in controlling global POP dynamics. The present study is an assessment of the role of oceanic biogeochemical processes, notably phytoplankton uptake and vertical fluxes of particles, on the global dynamics of POPs. Field measurements of atmospheric polychlorinated biphenyls (PCBs), polychlorinated dibenzodioxins (PCDDs), and furans (PCDFs) are combined with remote sensing estimations of oceanic temperature, wind speed, and chlorophyll, to model the interactions between air-water exchange, phytoplankton uptake, and export of organic matter and POPs out of the mixed surface ocean layer. Deposition is enhanced in the mid-high latitudes and is driven by sinking marine particulate matter, rather than by a cold condensation effect. However, the relative contribution of the biological pump is a function of the physical-chemical properties of POPs. It is concluded that oceanic biogeochemical processes play a critical role in controlling the global dynamics and the ultimate sink of POPs.

Understanding homogeneous nucleation in solidification of aluminum by molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Mahata, Avik; Asle Zaeem, Mohsen; Baskes, Michael I.

2018-02-01

Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics simulations utilizing the second nearest neighbor modified embedded atom method potentials. The natural spontaneous homogenous nucleation from the Al melt was produced without any influence of pressure, free surface effects and impurities. Initially isothermal crystal nucleation from undercooled melt was studied at different constant temperatures, and later superheated Al melt was quenched with different cooling rates. The crystal structure of nuclei, critical nucleus size, critical temperature for homogenous nucleation, induction time, and nucleation rate were determined. The quenching simulations clearly revealed three temperature regimes: sub-critical nucleation, super-critical nucleation, and solid-state grain growth regimes. The main crystalline phase was identified as face-centered cubic, but a hexagonal close-packed (hcp) and an amorphous solid phase were also detected. The hcp phase was created due to the formation of stacking faults during solidification of Al melt. By slowing down the cooling rate, the volume fraction of hcp and amorphous phases decreased. After the box was completely solid, grain growth was simulated and the grain growth exponent was determined for different annealing temperatures.

Critical insight into the influence of the potential energy surface on fission dynamics

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

Mazurek, K.; Grand Accelerateur National d'Ions Lourds; Schmitt, C.

The present work is dedicated to a careful investigation of the influence of the potential energy surface on the fission process. The time evolution of nuclei at high excitation energy and angular momentum is studied by means of three-dimensional Langevin calculations performed for two different parametrizations of the macroscopic potential: the Finite Range Liquid Drop Model (FRLDM) and the Lublin-Strasbourg Drop (LSD) prescription. Depending on the mass of the system, the topology of the potential throughout the deformation space of interest in fission is observed to noticeably differ within these two approaches, due to the treatment of curvature effects. Whenmore » utilized in the dynamical calculation as the driving potential, the FRLDM and LSD models yield similar results in the heavy-mass region, whereas the predictions can be strongly dependent on the Potential Energy Surface (PES) for medium-mass nuclei. In particular, the mass, charge, and total kinetic energy distributions of the fission fragments are found to be narrower with the LSD prescription. The influence of critical model parameters on our findings is carefully investigated. The present study sheds light on the experimental conditions and signatures well suited for constraining the parametrization of the macroscopic potential. Its implication regarding the interpretation of available experimental data is briefly discussed.« less

Monitoring and characterizing natural hazards with satellite InSAR imagery

USGS Publications Warehouse

Lu, Zhong; Zhang, Jixian; Zhang, Yonghong; Dzurisin, Daniel

2010-01-01

Interferometric synthetic aperture radar (InSAR) provides an all-weather imaging capability for measuring ground-surface deformation and inferring changes in land surface characteristics. InSAR enables scientists to monitor and characterize hazards posed by volcanic, seismic, and hydrogeologic processes, by landslides and wildfires, and by human activities such as mining and fluid extraction or injection. Measuring how a volcano’s surface deforms before, during, and after eruptions provides essential information about magma dynamics and a basis for mitigating volcanic hazards. Measuring spatial and temporal patterns of surface deformation in seismically active regions is extraordinarily useful for understanding rupture dynamics and estimating seismic risks. Measuring how landslides develop and activate is a prerequisite to minimizing associated hazards. Mapping surface subsidence or uplift related to extraction or injection of fluids during exploitation of groundwater aquifers or petroleum reservoirs provides fundamental data on aquifer or reservoir properties and improves our ability to mitigate undesired consequences. Monitoring dynamic water-level changes in wetlands improves hydrological modeling predictions and the assessment of future flood impacts. In addition, InSAR imagery can provide near-real-time estimates of fire scar extents and fire severity for wildfire management and control. All-weather satellite radar imagery is critical for studying various natural processes and is playing an increasingly important role in understanding and forecasting natural hazards.

Exploration of Venus' Deep Atmosphere and Surface Environment

NASA Technical Reports Server (NTRS)

Glaze, L. S.; Amato, M.; Garvin, J. B.; Johnson, N. M.

2017-01-01

Venus formed in the same part of our solar system as Earth, apparently from similar materials. Although both planets are about the same size, their differences are profound. Venus and Earth experienced vastly different evolutionary pathways resulting in unexplained differences in atmospheric composition and dynamics, as well as in geophysical processes of the planetary surfaces and interiors. Understanding when and why the evolutionary pathways of Venus and Earth diverged is key to understanding how terrestrial planets form and how their atmospheres and surfaces evolve. Measurements made in situ, within the near-surface or surface environment, are critical to addressing unanswered questions. We have made substantial progress modernizing and maturing pressure vessel technologies to enable science operations in the high temperature and pressure near-surface/surfaceenvironment of Venus.

An intercomparison of GCM and RCM dynamical downscaling for characterizing the hydroclimatology of California and Nevada

NASA Astrophysics Data System (ADS)

Xu, Z.; Rhoades, A.; Johansen, H.; Ullrich, P. A.; Collins, W. D.

2017-12-01

Dynamical downscaling is widely used to properly characterize regional surface heterogeneities that shape the local hydroclimatology. However, the factors in dynamical downscaling, including the refinement of model horizontal resolution, large-scale forcing datasets and dynamical cores, have not been fully evaluated. Two cutting-edge global-to-regional downscaling methods are used to assess these, specifically the variable-resolution Community Earth System Model (VR-CESM) and the Weather Research & Forecasting (WRF) regional climate model, under different horizontal resolutions (28, 14, and 7 km). Two groups of WRF simulations are driven by either the NCEP reanalysis dataset (WRF_NCEP) or VR-CESM outputs (WRF_VRCESM) to evaluate the effects of the large-scale forcing datasets. The impacts of dynamical core are assessed by comparing the VR-CESM simulations to the coupled WRF_VRCESM simulations with the same physical parameterizations and similar grid domains. The simulated hydroclimatology (i.e., total precipitation, snow cover, snow water equivalent and surface temperature) are compared with the reference datasets. The large-scale forcing datasets are critical to the WRF simulations in more accurately simulating total precipitation, SWE and snow cover, but not surface temperature. Both the WRF and VR-CESM results highlight that no significant benefit is found in the simulated hydroclimatology by just increasing horizontal resolution refinement from 28 to 7 km. Simulated surface temperature is sensitive to the choice of dynamical core. WRF generally simulates higher temperatures than VR-CESM, alleviates the systematic cold bias of DJF temperatures over the California mountain region, but overestimates the JJA temperature in California's Central Valley.

Tunable Droplet Breakup Dynamics on Micropillared Superhydrophobic Surfaces.

PubMed

Zhang, Rui; Hao, Pengfei; Zhang, Xiwen; Niu, Fenglei; He, Feng

2018-06-22

Functional materials with controllable droplet breakup properties have extensive application prospects in aircraft anti-icing, spraying cooling, surface coating, and so on. Here we show that introducing micropillar arrays with various morphologies to fabricate superhydrophobic surfaces could either facilitate or suppress droplet splitting. The spacing and height of micropillars play an essential role in tuning the splitting patterns. Delayed splashing occurs on dense pillars which support the liquid lamella and provide channels for air to escape. A novel droplet breakup mechanism is found on sparse tall pillars, which rises from the instability of lateral liquid jets and significantly reduces the droplet breakup threshold. The critical Weber number of the rupture of low-viscous liquid is solely determined by the geometric parameters of micropillars and droplets. This work unveils the impact of ordered microstructures on the droplet breakup dynamics and provides a quantitative analysis of the geometric parameters in revising the breakup criteria.

Atomic species identification at the (101) anatase surface by simultaneous scanning tunnelling and atomic force microscopy

PubMed Central

Stetsovych, Oleksandr; Todorović, Milica; Shimizu, Tomoko K.; Moreno, César; Ryan, James William; León, Carmen Pérez; Sagisaka, Keisuke; Palomares, Emilio; Matolín, Vladimír; Fujita, Daisuke; Perez, Ruben; Custance, Oscar

2015-01-01

Anatase is a pivotal material in devices for energy-harvesting applications and catalysis. Methods for the accurate characterization of this reducible oxide at the atomic scale are critical in the exploration of outstanding properties for technological developments. Here we combine atomic force microscopy (AFM) and scanning tunnelling microscopy (STM), supported by first-principles calculations, for the simultaneous imaging and unambiguous identification of atomic species at the (101) anatase surface. We demonstrate that dynamic AFM-STM operation allows atomic resolution imaging within the material's band gap. Based on key distinguishing features extracted from calculations and experiments, we identify candidates for the most common surface defects. Our results pave the way for the understanding of surface processes, like adsorption of metal dopants and photoactive molecules, that are fundamental for the catalytic and photovoltaic applications of anatase, and demonstrate the potential of dynamic AFM-STM for the characterization of wide band gap materials. PMID:26118408

Probing equilibrium of molecular and deprotonated water on TiO 2 (110)

DOE PAGES

Wang, Zhi-Tao; Wang, Yang-Gang; Mu, Rentao; ...

2017-02-06

Understanding water structure and its deprotonation dynamics on oxide surfaces is key to understanding many physical and chemical processes. In this study, we directly measure the energy barriers associated with the protonation equilibrium of water on the prototypical oxide surface, rutile-TiO2(110) by a combination of a supersonic molecular beam, scanning tunneling microscopy, and ab initio molecular dynamics simulations. We show that long-range electrostatic fields emanating from the oxide lead to steering and reorientation of the molecules approaching the surface, activating the O-H bonds and inducing deprotonation. The incident energy dependent studies allow for a direct determination of the dissociation barrier.more » Temperature dependent imaging yields the reverse barrier and the equilibrium constant. Molecularly bound water is preferred by 0.035 eV over the surface-bound hydroxyls. The techniques developed in this work are readily extended to other systems where the understanding of bond-activation processes is critical.« less

Probing equilibrium of molecular and deprotonated water on TiO 2(110)

DOE PAGES

Wang, Zhi -Tao; Wang, Yang -Gang; Mu, Rentao; ...

2017-02-06

Understanding water structure and its deprotonation dynamics on oxide surfaces is key to understanding many physical and chemical processes. In this study, we directly measure the energy barriers associated with the protonation equilibrium of water on the prototypical oxide surface, rutile-TiO 2(110) by a combination of a supersonic molecular beam, scanning tunneling microscopy, and ab initio molecular dynamics simulations. We show that long-range electrostatic fields emanating from the oxide lead to steering and reorientation of the molecules approaching the surface, activating the O-H bonds and inducing deprotonation. The incident energy dependent studies allow for a direct determination of the dissociationmore » barrier. Temperature dependent imaging yields the reverse barrier and the equilibrium constant. Molecularly bound water is preferred by 0.035 eV over the surface-bound hydroxyls. In conclusion, the techniques developed in this work are readily extended to other systems where the understanding of bond-activation processes is critical.« less

A Study on Water Surface Profiles of Rivers with Constriction

NASA Astrophysics Data System (ADS)

Qian, Chaochao; Yamada, Tadashi

2013-04-01

Water surface profile of rivers with constrictions is precious in both classic hydraulics and river management practice. This study was conducted to clarify the essences of the water surface profiles. 3 cases of experiments and 1D numerical calculations with different discharges were made in the study and analysis solutions of the non-linear basic equation of surface profile in varied flow without considering friction were derived. The manning's number was kept in the same in each case by using crosspiece roughness. We found a new type of water surface profile of varied flow from the results of 1D numerical calculation and that of experiments and named it as Mc curve because of its mild condition with constriction segment. This kind of curves appears as a nature phenomenon ubiquitously. The process of water surface forming is dynamic and bore occurs at the upper side of constriction during increasing discharge before the surface profile formed. As a theoretical work, 3 analysis solutions were derived included 2 physical-meaning solutions in the study by using Man-Machine system. One of the derived physical-meaning solutions was confirmed that it is validity by comparing to the results of 1D numerical calculation and that of experiments. The solution represents a flow profile from under critical condition at the upper side to super critical condition at the down side of constriction segment. The other derived physical-meaning solution represents a flow profile from super critical condition at the upper side to under critical condition at the down side of constriction segment. These two kinds of flow profiles exist in the nature but no theoretical solution can express the phenomenon. We find the depth distribution only concerned with unit width discharge distribution and critical depth under a constant discharge from the derived solutions. Therefor, the profile can be gained simply and precisely by using the theoretical solutions instead of numerical calculation even in practice.

Wetting Transition of Water

NASA Astrophysics Data System (ADS)

Friedman, Serah; Khalil, Matt; Taborek, Peter

2013-03-01

Pure liquid water does not wet most solid surfaces. Liquid water on these surfaces beads up and forms droplets with a finite contact angle. General thermodynamic principles suggest that as the temperature approaches the critical point, the contact angle should go to zero, marking the wetting transition. We have made an optical cell which can operate near the critical point of water (Tc =373C, Pc =217 atm) to study this phenomenon on sapphire, graphite and silicon. We have used two methods to measure the wetting temperature of water on these surfaces. Firstly, we studied a single droplet on a horizontal surface and optically measured the change in contact angle as a function of increasing temperature. Second, we studied the condensation of droplets on a vertical plate as a function of temperature. As the temperature approached the wetting temperature in both cases, the droplets spread and eventually form a smooth film along the surface of the plate. The wetting temperature on sapphire is near 240C and is considerably higher on graphite. Our observed values of Tw are significantly higher than the predictions made by the sharp-kink approximation and recent molecular dynamics simulations.

Inferring Ice Thickness from a Glacier Dynamics Model and Multiple Surface Datasets.

NASA Astrophysics Data System (ADS)

Guan, Y.; Haran, M.; Pollard, D.

2017-12-01

The future behavior of the West Antarctic Ice Sheet (WAIS) may have a major impact on future climate. For instance, ice sheet melt may contribute significantly to global sea level rise. Understanding the current state of WAIS is therefore of great interest. WAIS is drained by fast-flowing glaciers which are major contributors to ice loss. Hence, understanding the stability and dynamics of glaciers is critical for predicting the future of the ice sheet. Glacier dynamics are driven by the interplay between the topography, temperature and basal conditions beneath the ice. A glacier dynamics model describes the interactions between these processes. We develop a hierarchical Bayesian model that integrates multiple ice sheet surface data sets with a glacier dynamics model. Our approach allows us to (1) infer important parameters describing the glacier dynamics, (2) learn about ice sheet thickness, and (3) account for errors in the observations and the model. Because we have relatively dense and accurate ice thickness data from the Thwaites Glacier in West Antarctica, we use these data to validate the proposed approach. The long-term goal of this work is to have a general model that may be used to study multiple glaciers in the Antarctic.

SHIELDS Final Technical Report

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

Jordanova, Vania Koleva

Predicting variations in the near-Earth space environment that can lead to spacecraft damage and failure, i.e. “space weather”, remains a big space physics challenge. A new capability was developed at Los Alamos National Laboratory (LANL) to understand, model, and predict Space Hazards Induced near Earth by Large Dynamic Storms, the SHIELDS framework. This framework simulates the dynamics of the Surface Charging Environment (SCE), the hot (keV) electrons representing the source and seed populations for the radiation belts, on both macro- and micro-scale. In addition to using physics-based models (like RAM-SCB, BATS-R-US, and iPIC3D), new data assimilation techniques employing data frommore » LANL instruments on the Van Allen Probes and geosynchronous satellites were developed. An order of magnitude improvement in the accuracy in the simulation of the spacecraft surface charging environment was thus obtained. SHIELDS also includes a post-processing tool designed to calculate the surface charging for specific spacecraft geometry using the Curvilinear Particle-In-Cell (CPIC) code and to evaluate anomalies' relation to SCE dynamics. Such diagnostics is critically important when performing forensic analyses of space-system failures.« less

Mechanisms of oriented attachment of TiO2 nanocrystals in vacuum and humid environments: reactive molecular dynamics.

PubMed

Raju, Muralikrishna; van Duin, Adri C T; Fichthorn, Kristen A

2014-01-01

Oriented attachment (OA) of nanocrystals is now widely recognized as a key process in the solution-phase growth of hierarchical nanostructures. However, the microscopic origins of OA remain unclear. We perform molecular dynamics simulations using a recently developed ReaxFF reactive force field to study the aggregation of various titanium dioxide (anatase) nanocrystals in vacuum and humid environments. In vacuum, the nanocrystals merge along their direction of approach, resulting in a polycrystalline material. By contrast, in the presence of water vapor the nanocrystals reorient themselves and aggregate via the OA mechanism to form a single or twinned crystal. They accomplish this by creating a dynamic network of hydrogen bonds between surface hydroxyls and surface oxygens of aggregating nanocrystals. We determine that OA is dominant on surfaces that have the greatest propensity to dissociate water. Our results are consistent with experiment, are likely to be general for aqueous oxide systems, and demonstrate the critical role of solvent in nanocrystal aggregation. This work opens up new possibilities for directing nanocrystal growth to fabricate nanomaterials with desired shapes and sizes.

Dynamics of water droplets detached from porous surfaces of relevance to PEM fuel cells.

PubMed

Theodorakakos, A; Ous, T; Gavaises, M; Nouri, J M; Nikolopoulos, N; Yanagihara, H

2006-08-15

The detachment of liquid droplets from porous material surfaces used with proton exchange membrane (PEM) fuel cells under the influence of a cross-flowing air is investigated computationally and experimentally. CCD images taken on a purpose-built transparent fuel cell have revealed that the water produced within the PEM is forming droplets on the surface of the gas-diffusion layer. These droplets are swept away if the velocity of the flowing air is above a critical value for a given droplet size. Static and dynamic contact angle measurements for three different carbon gas-diffusion layer materials obtained inside a transparent air-channel test model have been used as input to the numerical model; the latter is based on a Navier-Stokes equations flow solver incorporating the volume of fluid (VOF) two-phase flow methodology. Variable contact angle values around the gas-liquid-solid contact-line as well as their dynamic change during the droplet shape deformation process, have allowed estimation of the adhesion force between the liquid droplet and the solid surface and successful prediction of the separation line at which droplets loose their contact from the solid surface under the influence of the air stream flowing around them. Parametric studies highlight the relevant importance of various factors affecting the detachment of the liquid droplets from the solid surface.

Analysis of the coupled electron-ripplon oscillations resonance spectra in the Wigner solid at different temperatures and modeling of the excitation process

NASA Astrophysics Data System (ADS)

Syvokon, V. E.; Sharapova, I. V.

2018-05-01

The spectrum of coupled electron-ripplon oscillations in a Wigner crystal on the surface of superfluid helium at various temperatures and excitation voltages, leading to spectrum distortion, was studied experimentally. It was shown that at all temperatures, increasing excitation voltage leads to the appearance of non-axisymmetric vibrational modes, which indicates distortions of the crystal lattice. The possibility of excitation of the non-axisymmetric modes in a cell was demonstrated by modeling electronic crystal oscillations using the molecular dynamics method. At several fixed frequencies, the amplitudes of the response of the electronic crystal to external excitation were measured as a function of the magnitude of excitation voltage, and jumps were detected at certain critical voltages. Using the Lindemann criterion, a correlation was found between the critical stress and stability limit of the crystal lattice. It was concluded that when the critical voltage is reached, dynamic melting of the electronic crystal occurs.

`Dhara': An Open Framework for Critical Zone Modeling

NASA Astrophysics Data System (ADS)

Le, P. V.; Kumar, P.

2016-12-01

Processes in the Critical Zone, which sustain terrestrial life, are tightly coupled across hydrological, physical, biological, chemical, pedological, geomorphological and ecological domains over both short and long timescales. Observations and quantification of the Earth's surface across these domains using emerging high resolution measurement technologies such as light detection and ranging (lidar) and hyperspectral remote sensing are enabling us to characterize fine scale landscape attributes over large spatial areas. This presents a unique opportunity to develop novel approaches to model the Critical Zone that can capture fine scale intricate dependencies across the different processes in 3D. The development of interdisciplinary tools that transcend individual disciplines and capture new levels of complexity and emergent properties is at the core of Critical Zone science. Here we introduce an open framework for high-performance computing model (`Dhara') for modeling complex processes in the Critical Zone. The framework is designed to be modular in structure with the aim to create uniform and efficient tools to facilitate and leverage process modeling. It also provides flexibility to maintain, collaborate, and co-develop additional components by the scientific community. We show the essential framework that simulates ecohydrologic dynamics, and surface - sub-surface coupling in 3D using hybrid parallel CPU-GPU. We demonstrate that the open framework in Dhara is feasible for detailed, multi-processes, and large-scale modeling of the Critical Zone, which opens up exciting possibilities. We will also present outcomes from a Modeling Summer Institute led by Intensively Managed Critical Zone Observatory (IMLCZO) with representation from several CZOs and international representatives.

Predictive model for ice formation on superhydrophobic surfaces.

PubMed

Bahadur, Vaibhav; Mishchenko, Lidiya; Hatton, Benjamin; Taylor, J Ashley; Aizenberg, Joanna; Krupenkin, Tom

2011-12-06

The prevention and control of ice accumulation has important applications in aviation, building construction, and energy conversion devices. One area of active research concerns the use of superhydrophobic surfaces for preventing ice formation. The present work develops a physics-based modeling framework to predict ice formation on cooled superhydrophobic surfaces resulting from the impact of supercooled water droplets. This modeling approach analyzes the multiple phenomena influencing ice formation on superhydrophobic surfaces through the development of submodels describing droplet impact dynamics, heat transfer, and heterogeneous ice nucleation. These models are then integrated together to achieve a comprehensive understanding of ice formation upon impact of liquid droplets at freezing conditions. The accuracy of this model is validated by its successful prediction of the experimental findings that demonstrate that superhydrophobic surfaces can fully prevent the freezing of impacting water droplets down to surface temperatures of as low as -20 to -25 °C. The model can be used to study the influence of surface morphology, surface chemistry, and fluid and thermal properties on dynamic ice formation and identify parameters critical to achieving icephobic surfaces. The framework of the present work is the first detailed modeling tool developed for the design and analysis of surfaces for various ice prevention/reduction strategies. © 2011 American Chemical Society

Dual interferometer for dynamic measurement of corneal topography

NASA Astrophysics Data System (ADS)

Micali, Jason D.; Greivenkamp, John E.

2016-08-01

The cornea is the anterior most surface of the eye and plays a critical role in vision. A thin fluid layer, the tear film, coats the outer surface of the cornea and serves to protect, nourish, and lubricate the cornea. At the same time, the tear film is responsible for creating a smooth continuous surface, where the majority of refraction takes place in the eye. A significant component of vision quality is determined by the shape of the cornea and stability of the tear film. A dual interferometer system for measuring the dynamic corneal topography is designed, built, verified, and qualified by testing on human subjects. The system consists of two coaligned simultaneous phase-shifting polarization-splitting Twyman-Green interferometers. The primary interferometer measures the surface of the tear film while the secondary interferometer tracks the absolute position of the cornea, which provides enough information to reconstruct the absolute shape of the cornea. The results are high-resolution and high-accuracy surface topography measurements of the in vivo tear film and cornea that are captured at standard camera frame rates.

Direct observation of stick-slip movements of water nanodroplets induced by an electron beam

PubMed Central

Mirsaidov, Utkur M.; Zheng, Haimei; Bhattacharya, Dipanjan; Casana, Yosune; Matsudaira, Paul

2012-01-01

Dynamics of the first few nanometers of water at the interface are encountered in a wide range of physical, chemical, and biological phenomena. A simple but critical question is whether interfacial forces at these nanoscale dimensions affect an externally induced movement of a water droplet on a surface. At the bulk-scale water droplets spread on a hydrophilic surface and slip on a nonwetting, hydrophobic surface. Here we report the experimental description of the electron beam-induced dynamics of nanoscale water droplets by direct imaging the translocation of 10- to 80-nm-diameter water nanodroplets by transmission electron microscopy. These nanodroplets move on a hydrophilic surface not by a smooth flow but by a series of stick-slip steps. We observe that each step is preceded by a unique characteristic deformation of the nanodroplet into a toroidal shape induced by the electron beam. We propose that this beam-induced change in shape increases the surface free energy of the nanodroplet that drives its transition from stick to slip state. PMID:22517747

Critical conditions for the buoyancy-driven detachment of a wall-bound pendant drop

NASA Astrophysics Data System (ADS)

Lamorgese, A.; Mauri, R.

2016-03-01

We investigate numerically the critical conditions for detachment of an isolated, wall-bound emulsion droplet acted upon by surface tension and wall-normal buoyancy forces alone. To that end, we present a simple extension of a diffuse-interface model for partially miscible binary mixtures that was previously employed for simulating several two-phase flow phenomena far and near the critical point [A. G. Lamorgese et al. "Phase-field approach to multiphase flow modeling," Milan J. Math. 79(2), 597-642 (2011)] to allow for static contact angles other than 90°. We use the same formulation of the Cahn boundary condition as first proposed by Jacqmin ["Contact-line dynamics of a diffuse fluid interface," J. Fluid Mech. 402, 57-88 (2000)], which accommodates a cubic (Hermite) interpolation of surface tensions between the wall and each phase at equilibrium. We show that this model can be successfully employed for simulating three-phase contact line problems in stable emulsions with nearly immiscible components. We also show a numerical determination of critical Bond numbers as a function of static contact angle by phase-field simulation.

Contact angle change during evaporation of near-critical liquids

NASA Astrophysics Data System (ADS)

Nikolayev, Vadim; Hegseth, John; Beysens, Daniel

1998-11-01

An unexpected change of the dynamic contact angle was recently observed in a near-critical liquid-gas system in a space experiment. While the near-critical liquid completely wets a solid under equilibrium conditions, the apparent contact angle changed from 0^circ to about 120^circ during evaporation. We propose an explanation for this phenomenon by taking into account vapor recoil due to evaporation (motion of the vapor from the free liquid surface). This force is normal to the vapor-liquid interface and is directed towards the liquid. It increases sharply near the triple contact line. Near the critical point, where the surface tension force is very weak, the vapor recoil force can be important enough to change the apparent contact angle. A similar effect can also explain the drying of a heater during boiling at high heat flux. The drying greatly reduces the heat transfer to the liquid causing the heater to melt. This phenomenon is called ``boiling crisis", ``burnout" or ``Departure from Nuclear Boiling". We report the preliminary results of the numerical simulation of the liquid evaporation by the Boundary Element method.

Utility of an image-based canopy reflectance modeling tool for remote estimation and LAI and leaf chlorophyll content at regional scales

USDA-ARS?s Scientific Manuscript database

Radiance data recorded by remote sensors function as a unique source for monitoring the terrestrial biosphere and vegetation dynamics at a range of spatial and temporal scales. A key challenge is to relate the remote sensing signal to critical variables describing land surface vegetation canopies su...

Description and Initial Simulation of a Dynamic Bidirectional Air-Surface Exchange Model for Mercury in Community Multiscale Air Quality Model

EPA Science Inventory

Emissions of elemental mercury (Hg⁰) from natural processes are believed to be as large as anthropogenic mercury emissions and are a critical source required to model the transport and fate of mercury. Recent ecosystem scale measurements indicate that a fraction of rec...

Microbial Surface Colonization and Biofilm Development in Marine Environments

PubMed Central

2015-01-01

SUMMARY Biotic and abiotic surfaces in marine waters are rapidly colonized by microorganisms. Surface colonization and subsequent biofilm formation and development provide numerous advantages to these organisms and support critical ecological and biogeochemical functions in the changing marine environment. Microbial surface association also contributes to deleterious effects such as biofouling, biocorrosion, and the persistence and transmission of harmful or pathogenic microorganisms and their genetic determinants. The processes and mechanisms of colonization as well as key players among the surface-associated microbiota have been studied for several decades. Accumulating evidence indicates that specific cell-surface, cell-cell, and interpopulation interactions shape the composition, structure, spatiotemporal dynamics, and functions of surface-associated microbial communities. Several key microbial processes and mechanisms, including (i) surface, population, and community sensing and signaling, (ii) intraspecies and interspecies communication and interaction, and (iii) the regulatory balance between cooperation and competition, have been identified as critical for the microbial surface association lifestyle. In this review, recent progress in the study of marine microbial surface colonization and biofilm development is synthesized and discussed. Major gaps in our knowledge remain. We pose questions for targeted investigation of surface-specific community-level microbial features, answers to which would advance our understanding of surface-associated microbial community ecology and the biogeochemical functions of these communities at levels from molecular mechanistic details through systems biological integration. PMID:26700108

Microbial Surface Colonization and Biofilm Development in Marine Environments.

PubMed

Dang, Hongyue; Lovell, Charles R

2016-03-01

Biotic and abiotic surfaces in marine waters are rapidly colonized by microorganisms. Surface colonization and subsequent biofilm formation and development provide numerous advantages to these organisms and support critical ecological and biogeochemical functions in the changing marine environment. Microbial surface association also contributes to deleterious effects such as biofouling, biocorrosion, and the persistence and transmission of harmful or pathogenic microorganisms and their genetic determinants. The processes and mechanisms of colonization as well as key players among the surface-associated microbiota have been studied for several decades. Accumulating evidence indicates that specific cell-surface, cell-cell, and interpopulation interactions shape the composition, structure, spatiotemporal dynamics, and functions of surface-associated microbial communities. Several key microbial processes and mechanisms, including (i) surface, population, and community sensing and signaling, (ii) intraspecies and interspecies communication and interaction, and (iii) the regulatory balance between cooperation and competition, have been identified as critical for the microbial surface association lifestyle. In this review, recent progress in the study of marine microbial surface colonization and biofilm development is synthesized and discussed. Major gaps in our knowledge remain. We pose questions for targeted investigation of surface-specific community-level microbial features, answers to which would advance our understanding of surface-associated microbial community ecology and the biogeochemical functions of these communities at levels from molecular mechanistic details through systems biological integration. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

Molecular-dynamics analysis of mobile helium cluster reactions near surfaces of plasma-exposed tungsten

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

Hu, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu; Hammond, Karl D.

We report the results of a systematic atomic-scale analysis of the reactions of small mobile helium clusters (He{sub n}, 4 ≤ n ≤ 7) near low-Miller-index tungsten (W) surfaces, aiming at a fundamental understanding of the near-surface dynamics of helium-carrying species in plasma-exposed tungsten. These small mobile helium clusters are attracted to the surface and migrate to the surface by Fickian diffusion and drift due to the thermodynamic driving force for surface segregation. As the clusters migrate toward the surface, trap mutation (TM) and cluster dissociation reactions are activated at rates higher than in the bulk. TM produces W adatoms and immobile complexes ofmore » helium clusters surrounding W vacancies located within the lattice planes at a short distance from the surface. These reactions are identified and characterized in detail based on the analysis of a large number of molecular-dynamics trajectories for each such mobile cluster near W(100), W(110), and W(111) surfaces. TM is found to be the dominant cluster reaction for all cluster and surface combinations, except for the He{sub 4} and He{sub 5} clusters near W(100) where cluster partial dissociation following TM dominates. We find that there exists a critical cluster size, n = 4 near W(100) and W(111) and n = 5 near W(110), beyond which the formation of multiple W adatoms and vacancies in the TM reactions is observed. The identified cluster reactions are responsible for important structural, morphological, and compositional features in the plasma-exposed tungsten, including surface adatom populations, near-surface immobile helium-vacancy complexes, and retained helium content, which are expected to influence the amount of hydrogen re-cycling and tritium retention in fusion tokamaks.« less

Transverse thermal depinning and nonlinear sliding friction of an adsorbed monolayer.

PubMed

Granato, E; Ying, S C

2000-12-18

We study the response of an adsorbed monolayer under a driving force as a model of sliding friction phenomena between two crystalline surfaces with a boundary lubrication layer. Using Langevin-dynamics simulation, we determine the nonlinear response in the direction transverse to a high symmetry direction along which the layer is already sliding. We find that below a finite transition temperature there exist a critical depinning force and hysteresis effects in the transverse response in the dynamical state when the adlayer is sliding smoothly along the longitudinal direction.

Effects of Froude number and geometry on water entry of a 2-D ellipse

NASA Astrophysics Data System (ADS)

Zhang, Xu; Liu, Pei-qing; Qu, Qiu-lin; Wang, Rui; Agarwal, Ramesh K.

2018-05-01

By using the finite volume method with volume of fluid model and global dynamic mesh technique, the effects of Froude number and geometry on the water entry process of a 2-D ellipse are investigated numerically. For the time history of the vertical force, the computational fluid dynamics (CFD) results match the experimental data much better than the classical potential-flow theories due to the consideration of the viscosity, turbulence, surface tension, gravity, and compressibility. The results show that the position of peak pressure on ellipse shifts from the spray root to the bottom of ellipse at a critical time. The critical time changes with the geometry and Froude number. By studying the vertical force, the ellipse water entry process can be divided into the initial and late stages based on the critical dimensionless time of about 0.1. The geometry of the ellipse plays a dominant role in the initial stage, while the Froude number is more important in the late stage of entry. The classical Wagner theory is extended to the ellipse water entry, and the predicted maximum value of vertical force coefficient in the initial stage is 4πa/b that matches the CFD results very well, where a and b are the horizontal axis and vertical axis of the ellipse parallel and perpendicular to the initial calm water surface, respectively.

Structural and elastic properties and stability characteristics of oxygenated carbon nanotubes under physical adsorption of polymers

NASA Astrophysics Data System (ADS)

Ansari, R.; Ajori, S.; Rouhi, S.

2015-03-01

The importance of covalent and non-covalent functionalization approaches for modification the properties of carbon nanotubes is being more widely recognized. To this end, elastic properties and buckling behavior of oxygenated CNT with atomic oxygen and hydroxyl under physical adsorption of PE (Polyethylene) and PEO (Poly (ethylene oxide)) are determined through employing the molecular dynamics (MD) simulations. The results demonstrate that non-covalent bonding of polymer on the surface of oxygenated CNT causes reductions in the variations of critical buckling load and critical strain compared to oxygenated CNTs. Critical buckling load and critical strain of oxygenated CNT/polymer are higher than those of oxygenated CNT. Also, it is demonstrated that critical buckling load and critical strain values in the case of oxygenated CNT/polymer are independent of polymer type unlike the value of Young's modulus. It is shown that variations of Young's modulus decrease as PE adsorbed on the surface of oxygenated CNT. Moreover, the presence of oxygen atom on PEO chain leads to bigger variations of Young's modulus with weight percentage of chemisorbed component, i.e. atomic oxygen and hydroxyl. It is also demonstrated that Young's modulus reduces more considerably in the presence of PEO chain compared to PE one.

Impact Capacity Reduction in Railway Prestressed Concrete Sleepers with Surface Abrasions

NASA Astrophysics Data System (ADS)

Ngamkhanong, Chayut; Li, Dan; Kaewunruen, Sakdirat

2017-10-01

Railway sleepers (also called ‘railroad tie’ in North America) embedded in ballasted railway tracks are a main part of railway track structures. Its important role is to transfer the loads evenly from the rails to a wider area of ballast bed and to secure rail gauge and enable safe passages of rolling stocks. By nature, railway infrastructure is nonlinear, evidenced by its behaviours, geometry and alignment, wheel-rail contact and operational parameters such as tractive efforts. Based on our critical review, the dynamic behaviour of railway sleepers has not been fully investigated, especially when the sleepers are deteriorated by excessive wears. In fact, the ballast angularity causes differential abrasions on the soffit or bottom surface of sleepers (especially at railseat zone). Furthermore, in sharp curves and rapid gradient change, longitudinal and lateral dynamics of rails increase the likelihood of railseat abrasions in concrete sleepers due to the unbalanced loading conditions. This paper presents a structural capacity of concrete sleepers under dynamic transient loading. The modified compression field theory for ultimate strength design of concrete sleepers under impact loading will be highlighted in this study. The influences of surface abrasions, including surface abrasion and soffit abrasion, on the dynamic behaviour of prestressed concrete sleepers, are firstly highlighted. The outcome of this study will improve the rail maintenance and inspection criteria in order to establish appropriate and sensible remote track condition monitoring network in practice. Moreover, this study will also improve the understanding of the fundamental dynamic behaviour of prestressed concrete sleepers with surface abrasions. The insight into these behaviours will not only improve safety and reliability of railway infrastructure but will enhance the structural safety of other concrete structures.

Quasisaddles as relevant points of the potential energy surface in the dynamics of supercooled liquids

NASA Astrophysics Data System (ADS)

Angelani, L.; Di Leonardo, R.; Ruocco, G.; Scala, A.; Sciortino, F.

2002-06-01

The supercooled dynamics of a Lennard-Jones model liquid is numerically investigated studying relevant points of the potential energy surface, i.e., the minima of the square gradient of total potential energy V. The main findings are (i) the number of negative curvatures n of these sampled points appears to extrapolate to zero at the mode coupling critical temperature Tc; (ii) the temperature behavior of n(T) has a close relationship with the temperature behavior of the diffusivity; (iii) the potential energy landscape shows a high regularity in the distances among the relevant points and in their energy location. Finally we discuss a model of the landscape, previously introduced by Madan and Keyes [J. Chem. Phys. 98, 3342 (1993)], able to reproduce the previous findings.

Effects of surface wettability and liquid viscosity on the dynamic wetting of individual drops.

PubMed

Chen, Longquan; Bonaccurso, Elmar

2014-08-01

In this paper, we experimentally investigated the dynamic spreading of liquid drops on solid surfaces. Drop of glycerol water mixtures and pure water that have comparable surface tensions (62.3-72.8 mN/m) but different viscosities (1.0-60.1 cP) were used. The size of the drops was 0.5-1.2 mm. Solid surfaces with different lyophilic and lyophobic coatings (equilibrium contact angle θ(eq) of 0°-112°) were used to study the effect of surface wettability. We show that surface wettability and liquid viscosity influence wetting dynamics and affect either the coefficient or the exponent of the power law that describes the growth of the wetting radius. In the early inertial wetting regime, the coefficient of the wetting power law increases with surface wettability but decreases with liquid viscosity. In contrast, the exponent of the power law does only depend on surface wettability as also reported in literature. It was further found that surface wettability does not affect the duration of inertial wetting, whereas the viscosity of the liquid does. For low viscosity liquids, the duration of inertial wetting corresponds to the time of capillary wave propagation, which can be determined by Lamb's drop oscillation model for inviscid liquids. For relatively high viscosity liquids, the inertial wetting time increases with liquid viscosity, which may due to the viscous damping of the surface capillary waves. Furthermore, we observed a viscous wetting regime only on surfaces with an equilibrium contact angle θ(eq) smaller than a critical angle θ(c) depending on viscosity. A scaling analysis based on Navier-Stokes equations is presented at the end, and the predicted θ(c) matches with experimental observations without any additional fitting parameters.

Early warning signals detect critical impacts of experimental warming.

PubMed

Jarvis, Lauren; McCann, Kevin; Tunney, Tyler; Gellner, Gabriel; Fryxell, John M

2016-09-01

Earth's surface temperatures are projected to increase by ~1-4°C over the next century, threatening the future of global biodiversity and ecosystem stability. While this has fueled major progress in the field of physiological trait responses to warming, it is currently unclear whether routine population monitoring data can be used to predict temperature-induced population collapse. Here, we integrate trait performance theory with that of critical tipping points to test whether early warning signals can be reliably used to anticipate thermally induced extinction events. We find that a model parameterized by experimental growth rates exhibits critical slowing down in the vicinity of an experimentally tested critical threshold, suggesting that dynamical early warning signals may be useful in detecting the potentially precipitous onset of population collapse due to global climate change.

Gaps to "Working" on the Surface of Small Bodies

NASA Astrophysics Data System (ADS)

Bellerose, J.

2012-12-01

Upcoming goals for human spaceflight include sending a crewed mission to a near-Earth asteroid (NEA) by 2025. As an alternative to this, a spacecraft could be sent to capture a small NEA, and return it to cislunar orbit where astronauts could take it apart (Brophy, 2012). In parallel, plans are also to take the next big step in resources utilization, and mine those NEAs (Lewicki, 2012). Although these exciting concepts are very different in scope, they share the same environment they will need to interact with. In this work, we discuss the required techniques for exploring and exploiting small bodies, and compare with the available tools and the current knowledge of small bodies. To support these types of missions, a number of in-situ data are required prior to start surface operations: the body shape and mass, the presence of volatiles and metals, the asteroid morphology, the internal structural properties, the surface and near-surface environments, the existence of hazards, and the time-evolution dynamics. Products obtained from remote sensing - maps, mosaics, shape models - are critical in selecting the locations to be investigated in more details, or the locations to be excavated. Composition measurements become especially important for mining, as it requires appropriate tools and techniques. Although spectrometers can be used in orbit and on the surface to determine elemental composition, the fine scale structure and mineralogical composition can only be done using surface probes or through a close-up camera. Those remote sensing images are also critical in planning the very close approaches by the spacecraft, as the small body environment is one of the most perturbed environments (Scheeres, 2000). Being able to recreate the small body dynamics is necessary to mitigate risks and to enable spacecraft docking. The navigation system, vision tools, and planning software become critical as the spacecraft will need to track features on the surface under different light conditions. Perhaps the most difficult data to obtain is the mass of the NEA, where the resolution depends on the NEA size, and the internal structure and stability of the body. It can be shown that current mass determination techniques easily result in 50% resolution on mass estimation. Secondary or surface probes released from a main spacecraft can increase resolution by one order of magnitude compared to traditional methods (Bellerose, 2012). A volume estimate combined with the overall mass of the small body results in a bulk density estimate. The bulk density is a direct insight into surface and sub-surface mechanical stability, and properties such as compaction and porosity. A number of remote sensing and surface instruments are now available for NEA applications, from past missions to new technology developments. We give a quick review of the data and instruments now available. We also identify existing gaps between the available data and requirements associated with surface interacting mission concepts. Finally, we discuss transient dynamical effects due to surface disturbances, and how these effects can put constraints on a mission concept and feed in operational strategies.

Maximum drop radius and critical Weber number for splashing in the dynamical Leidenfrost regime

NASA Astrophysics Data System (ADS)

Riboux, Guillaume; Gordillo, Jose Manuel

2015-11-01

At room temperature, when a drop impacts against a smooth solid surface at a velocity above the so called critical velocity for splashing, the drop loses its integrity and fragments into tiny droplets violently ejected radially outwards. Below this critical velocity, the drop simply spreads over the substrate. Splashing is also reported to occur for solid substrate temperatures above the Leidenfrost temperature, T, for which a vapor layer prevents the drop from touching the substrate. In this case, the splashing morphology largely differs from the one reported at room temperature because, thanks to the presence of the gas layer, the shear stresses on the liquid do not decelerate the ejected lamella. Our purpose here is to predict, for wall temperatures above T, the dependence of the critical impact velocity on the temperature of the substrate as well as the maximum spreading radius for impacting velocities below the critical velocity for splashing. This is done making use of boundary integral simulations, where the velocity and the height of the liquid layer at the root of the ejected lamella are calculated numerically. This information constitutes the initial conditions for the one dimensional mass and momentum equations governing the dynamics of the toroidal rim limiting the edge of the lamella.

Intermittent impact dynamics of a cantilever scanning a surface at high speed

NASA Astrophysics Data System (ADS)

Dey, S.; Kartik, V.

2018-03-01

In contact-mode scanning probe microscopy (SPM), the cantilever's dynamics are conventionally investigated by assuming the tip to be always in contact with the sample's surface. At high scanning speeds, however, the cantilever's inertia becomes dominant and the tip can therefore completely detach from the surface and start impacting upon it. Experiments at the macro-scale cannot emulate the complex micro-scale dynamics, as the system exhibits negligible effects due to meniscus forces and the surrounding medium's squeeze film damping; however, they can provide qualitative insight into the cantilever's dynamics at high frequencies, corresponding to those likely to be excited during video-rate SPM imaging. This paper investigates such intermittent impact dynamics for an upscaled cantilever, analytically, numerically, and experimentally. In contact-mode scanning, a critical scan speed exists beyond which the cantilever's tip loses contact with the sample's surface; a closed-form expression for this contact loss frequency is derived. At high scan speeds, impacts cause the cantilever to switch between different contact regimes: in-, off-, and grazing-contact; within each regime, the system's modal configuration is different. Experimentally-obtained Poincare maps indicate quasi-periodic behaviour at frequencies for which the response is repetitive, as is also predicted by the model. Intermittent impacts excite the sub- and super-harmonics of the excitation frequency, which are related to the natural frequencies of different system configurations based on the "effective" tip-end boundary conditions. The cantilever's response exhibits several phenomena, such as modal transition, beating, grazing, and possible chaotic behaviour, depending upon the relation between the excitation harmonics and the natural frequencies.

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics.

PubMed

Crespo-Otero, Rachel; Barbatti, Mario

2018-05-16

Nonadiabatic mixed quantum-classical (NA-MQC) dynamics methods form a class of computational theoretical approaches in quantum chemistry tailored to investigate the time evolution of nonadiabatic phenomena in molecules and supramolecular assemblies. NA-MQC is characterized by a partition of the molecular system into two subsystems: one to be treated quantum mechanically (usually but not restricted to electrons) and another to be dealt with classically (nuclei). The two subsystems are connected through nonadiabatic couplings terms to enforce self-consistency. A local approximation underlies the classical subsystem, implying that direct dynamics can be simulated, without needing precomputed potential energy surfaces. The NA-MQC split allows reducing computational costs, enabling the treatment of realistic molecular systems in diverse fields. Starting from the three most well-established methods-mean-field Ehrenfest, trajectory surface hopping, and multiple spawning-this review focuses on the NA-MQC dynamics methods and programs developed in the last 10 years. It stresses the relations between approaches and their domains of application. The electronic structure methods most commonly used together with NA-MQC dynamics are reviewed as well. The accuracy and precision of NA-MQC simulations are critically discussed, and general guidelines to choose an adequate method for each application are delivered.

Simultaneous droplet impingement dynamics and heat transfer on nano-structured surfaces

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

Shen, Jian; Graber, Christof; Liburdy, James

This study examines the hydrodynamics and temperature characteristics of distilled deionized water droplets impinging on smooth and nano-structured surfaces using high speed (HS) and infrared (IR) imaging at We = 23.6 and Re = 1593, both based on initial drop impingement parameters. Results for a smooth and nano-structured surface for a range of surface temperatures are compared. Droplet impact velocity, transient spreading diameter and dynamic contact angle are measured. The near surface average droplet fluid temperatures are evaluated for conditions of evaporative cooling and boiling. Also included are surface temperature results using a gold layered IR opaque surface on silicon.more » Four stages of the impingement process are identified: impact, boiling, near constant surface diameter evaporation, and final dry-out. For the boiling conditions there is initial nucleation followed by severe boiling, then near constant diameter evaporation resulting in shrinking of the droplet height. When a critical contact angle is reached during evaporation the droplet rapidly retracts to a smaller diameter reducing the contact area with the surface. This continues as a sequence of retractions until final dry out. The basic trends are the same for all surfaces, but the nano-structured surface has a lower dissipated energy during impact and enhances the heat transfer for evaporative cooling with a 20% shorter time to achieve final dry out. (author)« less

Vacancy Mediated Mechanism of Nitrogen Substitution in Carbon Nanotubes

NASA Technical Reports Server (NTRS)

Srivastava, Deepak; Menon, Madhu; Sadanadan, Bindu; Rao, Apparao M.

2003-01-01

Nitrogen substitution reaction in a graphene sheet and carbon nanotubes of different diameter are investigated using the generalized tight-binding molecular dynamics method. The formation of a vacancy in curved graphene sheet or a carbon nanotube is found to cause a curvature dependent local reconstruction of the surface. Our simulations and analysis show that vacancy mediated N substitution (rather than N chemisorption) is favored on the surface of nanotubes with diameter larger than 8 nm. This predicted value of the critical minimum diameter for N incorporation is confirmed by experimental results presented.

Thermal infrared imagery as a tool for analysing the variability of surface saturated areas at various temporal and spatial scales

NASA Astrophysics Data System (ADS)

Glaser, Barbara; Antonelli, Marta; Pfister, Laurent; Klaus, Julian

2017-04-01

Surface saturated areas are important for the on- and offset of hydrological connectivity within the hillslope-riparian-stream continuum. This is reflected in concepts such as variable contributing areas or critical source areas. However, we still lack a standardized method for areal mapping of surface saturation and for observing its spatiotemporal variability. Proof-of-concept studies in recent years have shown the potential of thermal infrared (TIR) imagery to record surface saturation dynamics at various temporal and spatial scales. Thermal infrared imagery is thus a promising alternative to conventional approaches, such as the squishy boot method or the mapping of vegetation. In this study we use TIR images to investigate the variability of surface saturated areas at different temporal and spatial scales in the forested Weierbach catchment (0.45 km2) in western Luxembourg. We took TIR images of the riparian zone with a hand-held FLIR infrared camera at fortnightly intervals over 18 months at nine different locations distributed over the catchment. Not all of the acquired images were suitable for a derivation of the surface saturated areas, as various factors influence the usability of the TIR images (e.g. temperature contrasts, shadows, fog). Nonetheless, we obtained a large number of usable images that provided a good insight into the dynamic behaviour of surface saturated areas at different scales. The images revealed how diverse the evolution of surface saturated areas can be throughout the hydrologic year. For some locations with similar morphology or topography we identified diverging saturation dynamics, while other locations with different morphology / topography showed more similar behaviour. Moreover, we were able to assess the variability of the dynamics of expansion / contraction of saturated areas within the single locations, which can help to better understand the mechanisms behind surface saturation development.

Particle Bonding Mechanism in Cold Gas Dynamic Spray: A Three-Dimensional Approach

NASA Astrophysics Data System (ADS)

Zhu, Lin; Jen, Tien-Chien; Pan, Yen-Ting; Chen, Hong-Sheng

2017-12-01

Cold gas dynamic spray (CGDS) is a surface coating process that uses highly accelerated particles to form the surface coating. In the CGDS process, metal particles with a diameter of 1-50 µm are carried by a gas stream at high pressure (typically 20-30 atm) through a de Laval-type nozzle to achieve supersonic velocity upon impact onto the substrate. Typically, the impact velocity ranges between 300 and 1200 m/s in the CGDS process. When the particle is accelerated to its critical velocity, which is defined as the minimum in-flight velocity at which it can deposit on the substrate, adiabatic shear instabilities will occur. Herein, to ascertain the critical velocities of different particle sizes on the bonding efficiency in CGDS process, three-dimensional numerical simulations of single particle deposition process were performed. In the CGDS process, one of the most important parameters which determine the bonding strength with the substrate is particle impact temperature. It is hypothesized that the particle will bond to the substrate when the particle's impacting velocity surpasses the critical velocity, at which the interface can achieve 60% of the melting temperature of the particle material (Ref 1, 2). Therefore, critical velocity should be a main parameter on the coating quality. Note that the particle critical velocity is determined not only by its size, but also by its material properties. This study numerically investigates the critical velocity for the particle deposition process in CGDS. In the present numerical analysis, copper (Cu) was chosen as particle material and aluminum (Al) as substrate material. The impacting velocities were selected between 300 and 800 m/s increasing in steps of 100 m/s. The simulation result reveals temporal and spatial interfacial temperature distribution and deformation between particle(s) and substrate. Finally, a comparison is carried out between the computed results and experimental data.

A generalized theory of thin film growth

NASA Astrophysics Data System (ADS)

Du, Feng; Huang, Hanchen

2018-03-01

This paper reports a theory of thin film growth that is generalized for arbitrary incidence angle during physical vapor deposition in two dimensions. The accompanying kinetic Monte Carlo simulations serve as verification. A special theory already exists for thin film growth with zero incidence angle, and another theory also exists for nanorod growth with a glancing angle. The theory in this report serves as a bridge to describe the transition from thin film growth to nanorod growth. In particular, this theory gives two critical conditions in analytical form of critical coverage, ΘI and ΘII. The first critical condition defines the onset when crystal growth or step dynamics stops following the wedding cake model for thin film growth. The second critical condition defines the onset when multiple-layer surface steps form to enable nanorod growth. Further, this theory also reveals a critical incidence angle, below which nanorod growth is impossible. The critical coverages, together with the critical incidence angle, defines a phase diagram of thin growth versus nanorod growth.

Splash Dynamics of Falling Surfactant-Laden Droplets

NASA Astrophysics Data System (ADS)

Sulaiman, Nur; Buitrago, Lewis; Pereyra, Eduardo

2017-11-01

Splashing dynamics is a common issue in oil and gas separation technology. In this study, droplet impact of various surfactant concentrations onto solid and liquid surfaces is studied experimentally using a high-speed imaging analysis. Although this area has been widely studied in the past, there is still not a good understanding of the role of surfactant over droplet impact and characterization of resulting splash dynamics. The experiments are conducted using tap water laden with anionic surfactant. The effects of system parameters on a single droplet impingement such as surfactant concentration (no surfactant, below, at and above critical micelle concentration), parent drop diameter (2-5mm), impact velocity and type of impact surface (thin and deep pool) are investigated. Image analysis technique is shown to be an effective technique for identification of coalescence to splashing transition. In addition, daughter droplets size distributions are analyzed qualitatively in the events of splashing. As expected, it is observed that the formation of secondary droplets is affected by the surfactant concentration. A summary of findings will be discussed.

Chaos on the conveyor belt.

PubMed

Sándor, Bulcsú; Járai-Szabó, Ferenc; Tél, Tamás; Néda, Zoltán

2013-04-01

The dynamics of a spring-block train placed on a moving conveyor belt is investigated both by simple experiments and computer simulations. The first block is connected by a spring to an external static point and, due to the dragging effect of the belt, the blocks undergo complex stick-slip dynamics. A qualitative agreement with the experimental results can be achieved only by taking into account the spatial inhomogeneity of the friction force on the belt's surface, modeled as noise. As a function of the velocity of the conveyor belt and the noise strength, the system exhibits complex, self-organized critical, sometimes chaotic, dynamics and phase transition-like behavior. Noise-induced chaos and intermittency is also observed. Simulations suggest that the maximum complexity of the dynamical states is achieved for a relatively small number of blocks (around five).

Crystal Orientation Effect on the Subsurface Deformation of Monocrystalline Germanium in Nanometric Cutting.

PubMed

Lai, Min; Zhang, Xiaodong; Fang, Fengzhou

2017-12-01

Molecular dynamics simulations of nanometric cutting on monocrystalline germanium are conducted to investigate the subsurface deformation during and after nanometric cutting. The continuous random network model of amorphous germanium is established by molecular dynamics simulation, and its characteristic parameters are extracted to compare with those of the machined deformed layer. The coordination number distribution and radial distribution function (RDF) show that the machined surface presents the similar amorphous state. The anisotropic subsurface deformation is studied by nanometric cutting on the (010), (101), and (111) crystal planes of germanium, respectively. The deformed structures are prone to extend along the 110 slip system, which leads to the difference in the shape and thickness of the deformed layer on various directions and crystal planes. On machined surface, the greater thickness of subsurface deformed layer induces the greater surface recovery height. In order to get the critical thickness limit of deformed layer on machined surface of germanium, the optimized cutting direction on each crystal plane is suggested according to the relevance of the nanometric cutting to the nanoindentation.

Molecular origin of contact line stick-slip motion during droplet evaporation

PubMed Central

Wang, FengChao; Wu, HengAn

2015-01-01

Understanding and controlling the motion of the contact line is of critical importance for surface science studies as well as many industrial engineering applications. In this work, we elucidate the molecular origin of contact line stick-slip motion during the evaporation of liquid droplets on flexible nano-pillared surfaces using molecular dynamics simulations. We demonstrate that the evaporation-induced stick-slip motion of the contact line is a consequence of competition between pinning and depinning forces. Furthermore, the tangential force exerted by the pillared substrate on the contact line was observed to have a sawtooth-like oscillation. Our analysis also establishes that variations in the pinning force are accomplished through the self-adaptation of solid-liquid intermolecular distances, especially for liquid molecules sitting directly on top of the solid pillar. Consistent with our theoretical analysis, molecular dynamics simulations also show that the maximum pinning force is quantitatively related to both solid-liquid adhesion strength and liquid-vapor surface tension. These observations provide a fundamental understanding of contact line stick-slip motion on pillared substrates and also give insight into the microscopic interpretations of contact angle hysteresis, wetting transitions and dynamic spreading. PMID:26628084

Dynamic interactions between a membrane binding protein and lipids induce fluctuating diffusivity

PubMed Central

Yamamoto, Eiji; Akimoto, Takuma; Kalli, Antreas C.; Yasuoka, Kenji; Sansom, Mark S. P.

2017-01-01

Pleckstrin homology (PH) domains are membrane-binding lipid recognition proteins that interact with phosphatidylinositol phosphate (PIP) molecules in eukaryotic cell membranes. Diffusion of PH domains plays a critical role in biological reactions on membrane surfaces. Although diffusivity can be estimated by long-time measurements, it lacks information on the short-time diffusive nature. We reveal two diffusive properties of a PH domain bound to the surface of a PIP-containing membrane using molecular dynamics simulations. One is fractional Brownian motion, attributed to the motion of the lipids with which the PH domain interacts. The other is temporally fluctuating diffusivity; that is, the short-time diffusivity of the bound protein changes substantially with time. Moreover, the diffusivity for short-time measurements is intrinsically different from that for long-time measurements. This fluctuating diffusivity results from dynamic changes in interactions between the PH domain and PIP molecules. Our results provide evidence that the complexity of protein-lipid interactions plays a crucial role in the diffusion of proteins on biological membrane surfaces. Changes in the diffusivity of PH domains and related membrane-bound proteins may in turn contribute to the formation/dissolution of protein complexes in membranes. PMID:28116358

Tribological Behavior and the Mild–Severe Wear Transition of Mg97Zn1Y2 Alloy with a LPSO Structure Phase

PubMed Central

Sun, Wei; Xuan, Xihua; Li, Liang; An, Jian

2018-01-01

Dry friction and wear tests were performed on as-cast Mg97Zn1Y2 alloy using a pin-on-disc configuration. Coefficients of friction and wear rates were measured as a function of applied load at sliding speeds of 0.2, 0.8 and 3.0 m/s. The wear mechanisms were identified in the mild and severe wear regimes by means of morphological observation and composition analysis of worn surfaces using scanning electron microscope (SEM) and energy dispersive X-ray spectrometer (EDS). Analyses of microstructure and hardness changes in subsurfaces verified the microstructure transformation from the deformed to the dynamically recrystallized, and properties changed from the strain hardening to dynamic crystallization (DRX) softening before and after the mild–severe wear transition. The mild–severe wear transition can be determined by a proposed contact surface DRX temperature criterion, from which the critical DRX temperatures at different sliding speeds are calculated using DRX dynamics; hence transition loads can also be calculated using a transition load model. The calculated transition loads are in good agreement with the measured ones, demonstrating the validity and applicability of the contact surface DRX temperature criterion. PMID:29584692

A New Approach for 3D Ocean Reconstruction from Limited Observations

NASA Astrophysics Data System (ADS)

Xiao, X.

2014-12-01

Satellites can measure ocean surface height and temperature with sufficient spatial and temporal resolution to capture mesoscale features across the globe. Measurements of the ocean's interior, however, remain sparse and irregular, thus the dynamical inference of subsurface flows is necessary to interpret surface measurements. The most common (and accurate) approach is to incorporate surface measurements into a data-assimilating forward ocean model, but this approach is expensive and slow, and thus completely impractical for time-critical needs, such as offering guidance to ship-based observational campaigns. Two recently-developed approaches have made use of the apparent partial consistency of upper ocean dynamics with quasigeostrophic flows that take into account surface buoyancy gradients (i.e. the "surface quasigeostrophic" (SQG) model) to "reconstruct" the interior flow from knowledge of surface height and buoyancy. Here we improve on these methods in three ways: (1) we adopt a modal decomposition that represents the surface and interior dynamics in an efficient way, allowing the separation of surface energy from total energy; (2) we make use of instantaneous vertical profile observations (e.g. from ARGO data) to improve the reconstruction of eddy variables at depth; and (3) we use advanced statistical methods to choose the optimal modes for the reconstruction. The method is tested using a series of high horizontal and vertical resolution quasigeostrophic simulation, with a wide range of surface buoyancy and interior potential vorticity gradient combinations. In addtion, we apply the method to output from a very high resolution primitive equation simulation of a forced and dissipated baroclinic front in a channel. Our new method is systematically compared to the existing methods as well. Its advantages and limitations will be discussed.

Critical Zone Co-dynamics: Quantifying Interactions between Subsurface, Land Surface, and Vegetation Properties Using UAV and Geophysical Approaches

NASA Astrophysics Data System (ADS)

Dafflon, B.; Leger, E.; Peterson, J.; Falco, N.; Wainwright, H. M.; Wu, Y.; Tran, A. P.; Brodie, E.; Williams, K. H.; Versteeg, R.; Hubbard, S. S.

2017-12-01

Improving understanding and modelling of terrestrial systems requires advances in measuring and quantifying interactions among subsurface, land surface and vegetation processes over relevant spatiotemporal scales. Such advances are important to quantify natural and managed ecosystem behaviors, as well as to predict how watershed systems respond to increasingly frequent hydrological perturbations, such as droughts, floods and early snowmelt. Our study focuses on the joint use of UAV-based multi-spectral aerial imaging, ground-based geophysical tomographic monitoring (incl., electrical and electromagnetic imaging) and point-scale sensing (soil moisture sensors and soil sampling) to quantify interactions between above and below ground compartments of the East River Watershed in the Upper Colorado River Basin. We evaluate linkages between physical properties (incl. soil composition, soil electrical conductivity, soil water content), metrics extracted from digital surface and terrain elevation models (incl., slope, wetness index) and vegetation properties (incl., greenness, plant type) in a 500 x 500 m hillslope-floodplain subsystem of the watershed. Data integration and analysis is supported by numerical approaches that simulate the control of soil and geomorphic characteristic on hydrological processes. Results provide an unprecedented window into critical zone interactions, revealing significant below- and above-ground co-dynamics. Baseline geophysical datasets provide lithological structure along the hillslope, which includes a surface soil horizon, underlain by a saprolite layer and the fractured Mancos shale. Time-lapse geophysical data show very different moisture dynamics in various compartments and locations during the winter and growing season. Integration with aerial imaging reveals a significant linkage between plant growth and the subsurface wetness, soil characteristics and the topographic gradient. The obtained information about the organization and connectivity of the landscape is being transferred to larger regions using aerial imaging and will be used to constrain multi-scale, multi-physics hydro-biogeochemical simulations of the East River watershed response to hydrological perturbations.

Observation of local cloud and moisture feedbacks over high ocean and desert surface temperatures

NASA Technical Reports Server (NTRS)

Chahine, Moustafa T.

1995-01-01

New data on clouds and moisture, made possible by reanalysis of weather satellite observations, show that the atmosphere reacts to warm clusters of very high sea surface temperatures in the western Pacific Ocean with increased moisture, cloudiness, and convection, suggesting a negative feedback limiting the sea surface temperature rise. The reverse was observed over dry and hot deserts where both moisture and cloudiness decrease, suggesting a positive feedback perpetuating existing desert conditions. In addition, the observations show a common critical surface temperature for both oceans and land; the distribution of atmospheric moisture is observed to reach a maximum value when the daily surface temperatures approach 304 +/- 1 K. These observations reveal complex dynamic-radiative interactions where multiple processes act simultaneously at the surface as well as in the atmosphere to regulate the feedback processes.

A central role for vesicle trafficking in epithelial neoplasia: Intracellular highways to carcinogenesis

PubMed Central

Goldenring, James R.

2014-01-01

Epithelial cell carcinogenesis involves the loss of polarity, alteration of polarized protein presentation, dynamic cell morphology changes, increased proliferation and increased cell motility and invasion. Elements of membrane vesicle trafficking underlie all of these processes. Specific membrane trafficking regulators, including Rab small GTPases, through the coordinated dynamics of intracellular trafficking along cytoskeletal pathways, determine cell surface presentation of proteins and overall function of both differentiated and neoplastic cells. While mutations in vesicle trafficking proteins may not be direct drivers of transformation, elements of the machinery of vesicle movement play critical roles in the phenotypes of neoplastic cells. Therefore, the regulators of membrane vesicle trafficking decisions are critical mediators of the full spectrum of cell physiologies driving cancer cell biology, including initial loss of polarity, invasion and metastasis. Targeting of these fundamental intracellular processes may provide important points for manipulation of cancer cell behaviour. PMID:24108097

Damage Mechanisms and Controlled Crack Propagation in a Hot Pressed Silicon Nitride Ceramic. Ph.D. Thesis - Northwestern Univ., 1993

NASA Technical Reports Server (NTRS)

Calomino, Anthony Martin

1994-01-01

The subcritical growth of cracks from pre-existing flaws in ceramics can severely affect the structural reliability of a material. The ability to directly observe subcritical crack growth and rigorously analyze its influence on fracture behavior is important for an accurate assessment of material performance. A Mode I fracture specimen and loading method has been developed which permits the observation of stable, subcritical crack extension in monolithic and toughened ceramics. The test specimen and procedure has demonstrated its ability to generate and stably propagate sharp, through-thickness cracks in brittle high modulus materials. Crack growth for an aluminum oxide ceramic was observed to be continuously stable throughout testing. Conversely, the fracture behavior of a silicon nitride ceramic exhibited crack growth as a series of subcritical extensions which are interrupted by dynamic propagation. Dynamic initiation and arrest fracture resistance measurements for the silicon nitride averaged 67 and 48 J/sq m, respectively. The dynamic initiation event was observed to be sudden and explosive. Increments of subcritical crack growth contributed to a 40 percent increase in fracture resistance before dynamic initiation. Subcritical crack growth visibly marked the fracture surface with an increase in surface roughness. Increments of subcritical crack growth loosen ceramic material near the fracture surface and the fracture debris is easily removed by a replication technique. Fracture debris is viewed as evidence that both crack bridging and subsurface microcracking may be some of the mechanisms contributing to the increase in fracture resistance. A Statistical Fracture Mechanics model specifically developed to address subcritical crack growth and fracture reliability is used together with a damaged zone of material at the crack tip to model experimental results. A Monte Carlo simulation of the actual experiments was used to establish a set of modeling input parameters. It was demonstrated that a single critical parameter does not characterize the conditions required for dynamic initiation. Experimental measurements for critical crack lengths, and the energy release rates exhibit significant scatter. The resulting output of the model produces good agreement with both the average values and scatter of experimental measurements.

Improved High Resolution Models of Subduction Dynamics: Use of transversely isotropic viscosity with a free-surface

NASA Astrophysics Data System (ADS)

Liu, X.; Gurnis, M.; Stadler, G.; Rudi, J.; Ratnaswamy, V.; Ghattas, O.

2017-12-01

Dynamic topography, or uncompensated topography, is controlled by internal dynamics, and provide constraints on the buoyancy structure and rheological parameters in the mantle. Compared with other surface manifestations such as the geoid, dynamic topography is very sensitive to shallower and more regional mantle structure. For example, the significant dynamic topography above the subduction zone potentially provides a rich mine for inferring the rheological and mechanical properties such as plate coupling, flow, and lateral viscosity variations, all critical in plate tectonics. However, employing subduction zone topography in the inversion study requires that we have a better understanding of the topography from forward models, especially the influence of the viscosity formulation, numerical resolution, and other factors. One common approach to formulating a fault between the subducted slab and the overriding plates in viscous flow models assumes a thin weak zone. However, due to the large lateral variation in viscosity, topography from free-slip numerical models typically has artificially large magnitude as well as high-frequency undulations over subduction zone, which adds to the difficulty in making comparisons between model results and observations. In this study, we formulate a weak zone with the transversely isotropic viscosity (TI) where the tangential viscosity is much smaller than the viscosity in the normal direction. Similar with isotropic weak zone models, TI models effectively decouple subducted slabs from the overriding plates. However, we find that the topography in TI models is largely reduced compared with that in weak zone models assuming an isotropic viscosity. Moreover, the artificial `tooth paste' squeezing effect observed in isotropic weak zone models vanishes in TI models, although the difference becomes less significant when the dip angle is small. We also implement a free-surface condition in our numerical models, which has a smoothing effect on the topography. With the improved model configuration, we can use the adjoint inversion method in a high-resolution model and employ topography in addition to other observables such as the plate motion to infer critical mechanical and rheological parameters in the subduction zone.

Electrical potential modulation of dynamic film properties of aqueous surfactant solutions through a nanogap

NASA Astrophysics Data System (ADS)

Xie, Guoxin; Luo, Jianbin; Liu, Shuhai; Guo, Dan

2011-01-01

The effect of external electrical potentials (EEPs) on aqueous surfactant films nanoconfined in a ball-plate configuration has been investigated by measuring the dynamic film thickness with an interferometer. Experimental results indicate that the film formation properties of the surfactant solutions in the nanogap under applied EEPs are strongly dependent on the interfacial adsorbed surfactant structure. Effective control over the film formation properties by applying EEPs depends on the signs of the charges on the solid surface and the surfactant headgroups, the surfactant concentration, and the magnitude of EEPs. Remarkable alterations of the film formation properties in the nanogap by EEPs can be observed except when the surface charge is the same in sign as the headgroups and the surfactant concentration is above the critical micelle concentration. Mechanisms of these phenomena have been discussed in this work.

Early Onset of Kinetic Roughening due to a Finite Step Width in Hematin Crystallization

NASA Astrophysics Data System (ADS)

Olafson, Katy N.; Rimer, Jeffrey D.; Vekilov, Peter G.

2017-11-01

The structure of the interface of a growing crystal with its nutrient phase largely determines the growth dynamics. We demonstrate that hematin crystals, crucial for the survival of malaria parasites, transition from faceted to rough growth interfaces at increasing thermodynamic supersaturation Δ μ . Contrary to theoretical predictions and previous observations, this transition occurs at moderate values of Δ μ . Moreover, surface roughness varies nonmonotonically with Δ μ , and the rate constant for rough growth is slower than that resulting from nucleation and spreading of layers. We attribute these unexpected behaviors to the dynamics of step growth dominated by surface diffusion and the loss of identity of nuclei separated by less than the step width w . We put forth a general criterion for the onset of kinetic roughening using w as a critical length scale.

Ocean Processes Revealing by Seasonal Dynamics of Surface Chlorophyll Concentration (by Satellite Data)

NASA Astrophysics Data System (ADS)

Shevyrnogov, Anatoly; Vysotskaya, Galina

Continuous monitoring of phytopigment concentrations in the ocean by space-borne methods makes possible to estimate ecological condition of biocenoses in critical areas. Unlike land vege-tation, hydrological processes largely determine phytoplankton dynamics, which may be either recurrent or random. The types of chlorophyll concentration dynamics can manifest as zones quasistationary by seasonal chlorophyll dynamics, perennial variations of phytopigment con-centrations, anomalous variations, etc., that makes possible revealing of hydrological structure of the ocean. While large-scale and frequently occurring phenomena have been much studied, the seldom-occurring changes of small size may be of interest for analysis of long-term processes and rare natural variations. Along with this, the ability to reflect consequences of anthropoge-nous impact or natural ecological disasters on the ocean biota makes the anomalous variations ecologically essential. Civilization aspiring for steady development and preservation of the bio-sphere, must have the knowledge of spatial distribution, seasonal dynamics and anomalies of the primary production process on the planet. In the papers of the authors (Shevyrnogov A.P., Vysotskaya G.S., Gitelzon J.I. Quasistationary areas of chlorophyll concentration in the world ocean as observed satellite data. Adv. Space Res. Vol. 18, No. 7, pp. 129-132, 1996) existence of zones, which are quasi-stationary with similar seasonal dynamics of chlorophyll concentration at surface layer of ocean, was shown. Results were obtained on the base of pro-cessing of time series of satellite images SeaWiFS. It was shown that fronts and frontal zones coincide with dividing lines between quasi-stationary areas, especially in areas of large oceanic streams. Biota of surface oceanic layer is more stable in comparison with quickly changing sur-face temperature. It gives a possibility to circumvent influence of high-frequency component (for example, a diurnal cycle) in investigation of dynamics of spatial distribution of surface streams. In addition, an analyses of nonstable ocean productivity phenomena, stood out time series of satellite images, showed existence of areas with different types of instability in the all Global ocean. They are observed as adjacent nonstationary zones of different size, which are associated by different ways with known oceanic phenomena. It is evident that dynamics of a spatial distribution of biological productivity can give an additional knowledge of complicated picture of surface oceanic layer hydrology.

Nonequilibrium Statistical Mechanics in One Dimension

NASA Astrophysics Data System (ADS)

Privman, Vladimir

2005-08-01

Part I. Reaction-Diffusion Systems and Models of Catalysis; 1. Scaling theories of diffusion-controlled and ballistically-controlled bimolecular reactions S. Redner; 2. The coalescence process, A+A->A, and the method of interparticle distribution functions D. ben-Avraham; 3. Critical phenomena at absorbing states R. Dickman; Part II. Kinetic Ising Models; 4. Kinetic ising models with competing dynamics: mappings, correlations, steady states, and phase transitions Z. Racz; 5. Glauber dynamics of the ising model N. Ito; 6. 1D Kinetic ising models at low temperatures - critical dynamics, domain growth, and freezing S. Cornell; Part III. Ordering, Coagulation, Phase Separation; 7. Phase-ordering dynamics in one dimension A. J. Bray; 8. Phase separation, cluster growth, and reaction kinetics in models with synchronous dynamics V. Privman; 9. Stochastic models of aggregation with injection H. Takayasu and M. Takayasu; Part IV. Random Sequential Adsorption and Relaxation Processes; 10. Random and cooperative sequential adsorption: exactly solvable problems on 1D lattices, continuum limits, and 2D extensions J. W. Evans; 11. Lattice models of irreversible adsorption and diffusion P. Nielaba; 12. Deposition-evaporation dynamics: jamming, conservation laws and dynamical diversity M. Barma; Part V. Fluctuations In Particle and Surface Systems; 13. Microscopic models of macroscopic shocks S. A. Janowsky and J. L. Lebowitz; 14. The asymmetric exclusion model: exact results through a matrix approach B. Derrida and M. R. Evans; 15. Nonequilibrium surface dynamics with volume conservation J. Krug; 16. Directed walks models of polymers and wetting J. Yeomans; Part VI. Diffusion and Transport In One Dimension; 17. Some recent exact solutions of the Fokker-Planck equation H. L. Frisch; 18. Random walks, resonance, and ratchets C. R. Doering and T. C. Elston; 19. One-dimensional random walks in random environment K. Ziegler; Part VII. Experimental Results; 20. Diffusion-limited exciton kinetics in one-dimensional systems R. Kroon and R. Sprik; 21. Experimental investigations of molecular and excitonic elementary reaction kinetics in one-dimensional systems R. Kopelman and A. L. Lin; 22. Luminescence quenching as a probe of particle distribution S. H. Bossmann and L. S. Schulman; Index.

A study on air bubble wetting: Role of surface wettability, surface tension, and ionic surfactants

NASA Astrophysics Data System (ADS)

George, Jijo Easo; Chidangil, Santhosh; George, Sajan D.

2017-07-01

Fabrication of hydrophobic/hydrophilic surfaces by biomimicking nature has attracted significant attention recently due to their potential usage in technologies, ranging from self-cleaning to DNA condensation. Despite the potential applications, compared to surfaces of tailored wettability, less attention has been paid towards development and understanding of air bubble adhesion and its dynamics on surfaces with varying wettability. In this manuscript, following the commonly used approach of oxygen plasma treatment, polydimethylsiloxane surfaces with tunable wettability are prepared. The role of plasma treatment conditions on the surface hydrophilicity and the consequent effect on adhesion dynamics of an underwater air bubble is explored for the first time. The ATR-FTIR spectroscopic analysis reveals that the change in hydrophilicity arises from the chemical modification of the surface, manifested as Si-OH vibrations in the spectra. The thickness of the formed thin liquid film at the surface responsible for the experimentally observed air bubble repellency is estimated from the augmented Young-Laplace equation. The concentration dependent studies using cationic as well as anionic surfactant elucidate that the reduced surface tension of the aqueous solution results in a stable thicker film and causes non-adherence of air bubble to the aerophilic surface. Furthermore, the study carried out to understand the combined effect of plasma treatment and surfactants reveals that even below critical micelle concentration, a negatively charged surface results in air bubble repellency for the anionic surfactant, whereas only enhanced air bubble contact angle is observed for the cationic surfactant.

A reconstruction of global hydroclimate and dynamical variables over the Common Era.

PubMed

Steiger, Nathan J; Smerdon, Jason E; Cook, Edward R; Cook, Benjamin I

2018-05-22

Hydroclimate extremes critically affect human and natural systems, but there remain many unanswered questions about their causes and how to interpret their dynamics in the past and in climate change projections. These uncertainties are due, in part, to the lack of long-term, spatially resolved hydroclimate reconstructions and information on the underlying physical drivers for many regions. Here we present the first global reconstructions of hydroclimate and associated climate dynamical variables over the past two thousand years. We use a data assimilation approach tailored to reconstruct hydroclimate that optimally combines 2,978 paleoclimate proxy-data time series with the physical constraints of an atmosphere-ocean climate model. The global reconstructions are annually or seasonally resolved and include two spatiotemporal drought indices, near-surface air temperature, an index of North Atlantic variability, the location of the intertropical convergence zone, and monthly Niño indices. This database, called the Paleo Hydrodynamics Data Assimilation product (PHYDA), will provide a critical new platform for investigating the causes of past climate variability and extremes, while informing interpretations of future hydroclimate projections.

Simulation and assessment of urbanization impacts on runoff metrics: insights from landuse changes

NASA Astrophysics Data System (ADS)

Zhang, Yongyong; Xia, Jun; Yu, Jingjie; Randall, Mark; Zhang, Yichi; Zhao, Tongtiegang; Pan, Xingyao; Zhai, Xiaoyan; Shao, Quanxi

2018-05-01

Urbanization-induced landuse changes alter runoff regimes in complex ways. In this study, a detailed investigation of the urbanization impacts on runoff regimes is provided by using multiple runoff metrics and with consideration of landuse dynamics. A catchment hydrological model is modified by coupling a simplified flow routing module of the urban drainage system and landuse dynamics to improve long-term urban runoff simulations. Moreover, multivariate statistical approach is adopted to mine the spatial variations of runoff metrics so as to further identify critical impact factors of landuse changes. The Qing River catchment as a peri-urban catchment in the Beijing metropolitan area is selected as our study region. Results show that: (1) the dryland agriculture is decreased from 13.9% to 1.5% of the total catchment area in the years 2000-2015, while the percentages of impervious surface, forest and grass are increased from 63.5% to 72.4%, 13.5% to 16.6% and 5.1% to 6.5%, respectively. The most dramatic landuse changes occur in the middle and downstream regions; (2) The combined landuse changes do not alter the average flow metrics obviously at the catchment outlet, but slightly increase the high flow metrics, particularly the extreme high flows; (3) The impacts on runoff metrics in the sub-catchments are more obvious than those at the catchment outlet. For the average flow metrics, the most impacted metric is the runoff depth in the dry season (October ∼ May) with a relative change from -10.9% to 11.6%, and the critical impact factors are the impervious surface and grass. For the high flow metrics, the extreme high flow depth is increased most significantly with a relative change from -0.6% to 10.5%, and the critical impact factors are the impervious surface and dryland agriculture; (4) The runoff depth metrics in the sub-catchments are increased because of the landuse changes from dryland agriculture to impervious surface, but are decreased because of the landuse changes from dryland agriculture or impervious surface to grass or forest. The results of this study provide useful information for urban planning such as Sponge City design.

Acoustic surface perception from naturally occurring step sounds of a dexterous hexapod robot

NASA Astrophysics Data System (ADS)

Cuneyitoglu Ozkul, Mine; Saranli, Afsar; Yazicioglu, Yigit

2013-10-01

Legged robots that exhibit dynamic dexterity naturally interact with the surface to generate complex acoustic signals carrying rich information on the surface as well as the robot platform itself. However, the nature of a legged robot, which is a complex, hybrid dynamic system, renders the more common approach of model-based system identification impractical. The present paper focuses on acoustic surface identification and proposes a non-model-based analysis and classification approach adopted from the speech processing literature. A novel feature set composed of spectral band energies augmented by their vector time derivatives and time-domain averaged zero crossing rate is proposed. Using a multi-dimensional vector classifier, these features carry enough information to accurately classify a range of commonly occurring indoor and outdoor surfaces without using of any mechanical system model. A comparative experimental study is carried out and classification performance and computational complexity are characterized. Different feature combinations, classifiers and changes in critical design parameters are investigated. A realistic and representative acoustic data set is collected with the robot moving at different speeds on a number of surfaces. The study demonstrates promising performance of this non-model-based approach, even in an acoustically uncontrolled environment. The approach also has good chance of performing in real-time.

Dynamic Cluster Size Effects on the Glass Transition of Thin Films

NASA Astrophysics Data System (ADS)

Wool, Richard

2013-03-01

During cooling from the melt of amorphous materials, it has been shown experimentally that dynamic rigid clusters form in equilibrium with the liquid and their relaxation behavior determines the kinetic nature of Tg [Stanzione et al, J. Non Cryst Solids 357(2): 311-319 2011]. The fractal clusters of size R ~ 5-60 nm (polystyrene) have relaxation times τ ~ R1.8 (solid-to-liquid). They are analogous to sub critical size embryos during crystallization as the amorphous material tries to crystallize due to the strong intermolecular forces at T < Tm ; they are not related to density fluctuations or surface capillary waves. In free-standing thin films of thickness h, several important events occur: (a) The large clusters with R > h are excluded and the thin films have an average faster relaxation time compared to the bulk; consequently Tg decreases as h decreases. (b) The segmental dynamics at the 1 nm scale are largely not affected by nanoconfinement since Tg is determined only by the cluster dynamics with R >> 1 nm. (c) The mobile layer on the surface of free standing films is due to the presence of smaller clusters on the surface which will disappear with increasing rate of testing. (d) With adhesion to a solid substrate, the surface mobile layer disappears as the surface clusters size grow and the change in Tg is suppressed. (e) Physical aging is controlled by the relaxation of the rigid fractal clusters and in thin films, physical aging will occur more rapidly compared to the bulk. (f) The large effect of molecular weight M on Tg appears to be related to the effect on the cluster size distribution giving smaller clusters and faster relation times with increasing M. These results are in accord with the Twinkling Fractal theory of the glass transition.

Experimental study of elliptical jet from supercritical to subcritical conditions using planar laser induced fluorescence

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

Muthukumaran, C. K.; Vaidyanathan, Aravind, E-mail: aravind7@iist.ac.in

2015-03-15

The study of fluid jet dynamics at supercritical conditions involves strong coupling between fluid dynamic and thermodynamic phenomena. Beyond the critical point, the liquid-vapor coexistence ceases to exist, and the fluid exists as a single phase known as supercritical fluid with its properties that are entirely different from liquids and gases. At the critical point, the liquids do not possess surface tension and latent heat of evaporation. Around the critical point, the fluid undergoes large changes in density and possesses thermodynamic anomaly like enhancement in thermal conductivity and specific heat. In the present work, the transition of the supercritical andmore » near-critical elliptical jet into subcritical as well as supercritical environment is investigated experimentally with nitrogen and helium as the surrounding environment. Under atmospheric condition, a liquid jet injected from the elliptical orifice exhibits axis switching phenomena. As the injection temperature increases, the axis switching length also increases. Beyond the critical temperature, the axis switching is not observed. The investigation also revealed that pressure plays a major role in determining the thermodynamic transition of the elliptical jet only for the case of supercritical jet injected into subcritical chamber conditions. At larger pressures, the supercritical jet undergoes disintegration and formation of droplets in the subcritical environment is observed. However, for supercritical jet injection into supercritical environment, the gas-gas like mixing behavior is observed.« less

Corresponding states law for a generalized Lennard-Jones potential.

PubMed

Orea, P; Romero-Martínez, A; Basurto, E; Vargas, C A; Odriozola, G

2015-07-14

It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the corresponding temperature and that at the critical point. In this work, we further test this proposal for another generalization of the Lennard-Jones pair potential. This is carried out for vapor-liquid coexistence densities, surface tension, and vapor pressure, along a temperature window set below the critical point. For this purpose, we perform molecular dynamics simulations by varying the potential softness parameter to produce from very short to intermediate attractive ranges. We observed all properties to collapse and yield master curves. Moreover, the vapor-liquid curve is found to share the exact shape of the Mie and attractive Yukawa. Furthermore, the surface tension and the logarithm of the vapor pressure are linear functions of this difference of reduced second virial coefficients.

Localized stress fluctuations drive shear thickening in dense suspensions

NASA Astrophysics Data System (ADS)

Rathee, Vikram; Blair, Daniel L.; Urbach, Jeffrey S.

2017-08-01

Dense particulate suspensions exhibit a dramatic increase in average viscosity above a critical, material-dependent shear stress. This thickening changes from continuous to discontinuous as the concentration is increased. Using direct measurements of spatially resolved surface stresses in the continuous thickening regime, we report the existence of clearly defined dynamic localized regions of substantially increased stress that appear intermittently at stresses above the critical stress. With increasing applied stress, these regions occupy an increasing fraction of the system, and the increase accounts quantitatively for the observed shear thickening. The regions represent high-viscosity fluid phases, with a size determined by the distance between the shearing surfaces and a viscosity that is nearly independent of shear rate but that increases rapidly with concentration. Thus, we find that continuous shear thickening arises from increasingly frequent localized discontinuous transitions between distinct fluid phases with widely differing viscosities.

Monitoring Earth's reservoir and lake dynamics from space

NASA Astrophysics Data System (ADS)

Donchyts, G.; Eilander, D.; Schellekens, J.; Winsemius, H.; Gorelick, N.; Erickson, T.; Van De Giesen, N.

2016-12-01

Reservoirs and lakes constitute about 90% of the Earth's fresh surface water. They play a major role in the water cycle and are critical for the ever increasing demands of the world's growing population. Water from reservoirs is used for agricultural, industrial, domestic, and other purposes. Current digital databases of lakes and reservoirs are scarce, mainly providing only descriptive and static properties of the reservoirs. The Global Reservoir and Dam (GRanD) database contains almost 7000 entries while OpenStreetMap counts more than 500 000 entries tagged as a reservoir. In the last decade several research efforts already focused on accurate estimates of surface water dynamics, mainly using satellite altimetry, However, currently they are limited only to less than 1000 (mostly large) water bodies. Our approach is based on three main components. Firstly, a novel method, allowing automated and accurate estimation of surface area from (partially) cloud-free optical multispectral or radar satellite imagery. The algorithm uses satellite imagery measured by Landsat, Sentinel and MODIS missions. Secondly, a database to store reservoir static and dynamic parameters. Thirdly, a web-based tool, built on top of Google Earth Engine infrastructure. The tool allows estimation of surface area for lakes and reservoirs at planetary-scale at high spatial and temporal resolution. A prototype version of the method, database, and tool will be presented as well as validation using in-situ measurements.

Bioinspired, dynamic, structured surfaces for biofilm prevention

NASA Astrophysics Data System (ADS)

Epstein, Alexander K.

Bacteria primarily exist in robust, surface-associated communities known as biofilms, ubiquitous in both natural and anthropogenic environments. Mature biofilms resist a wide range of biocidal treatments and pose persistent pathogenic threats. Treatment of adherent biofilm is difficult, costly, and, in medical systems such as catheters, frequently impossible. Adding to the challenge, we have discovered that biofilm can be both impenetrable to vapors and extremely nonwetting, repelling even low surface tension commercial antimicrobials. Our study shows multiple contributing factors, including biochemical components and multiscale reentrant topography. Reliant on surface chemistry, conventional strategies for preventing biofilm only transiently affect attachment and/or are environmentally toxic. In this work, we look to Nature's antifouling solutions, such as the dynamic spiny skin of the echinoderm, and we develop a versatile surface nanofabrication platform. Our benchtop approach unites soft lithography, electrodeposition, mold deformation, and material selection to enable many degrees of freedom—material, geometric, mechanical, dynamic—that can be programmed starting from a single master structure. The mechanical properties of the bio-inspired nanostructures, verified by AFM, are precisely and rationally tunable. We examine how synthetic dynamic nanostructured surfaces control the attachment of pathogenic biofilms. The parameters governing long-range patterning of bacteria on high-aspect-ratio (HAR) nanoarrays are combinatorially elucidated, and we discover that sufficiently low effective stiffness of these HAR arrays mechanoselectively inhibits ˜40% of Pseudomonas aeruginosa biofilm attachment. Inspired by the active echinoderm skin, we design and fabricate externally actuated dynamic elastomer surfaces with active surface microtopography. We extract from a large parameter space the critical topographic length scales and actuation time scales for achieving nearly ˜80% attachment reduction. We furthermore investigate an atomically mobile, slippery liquid infused porous surface (SLIPS) inspired by the pitcher plant. We show up to 99.6% reduction of multiple pathogenic biofilms over a 7-day period under both static and physiologically realistic flow conditions—a ˜35x improvement over state-of-the-art surface chemistry, and over a far longer timeframe. Moreover, SLIPS is shown to be nontoxic: bacteria simply cannot attach to the smooth liquid interface. These bio-inspired strategies significantly advance biofilm attachment prevention and promise a tremendous range of industrial, clinical, and consumer applications.

Structure, biomimetics, and fluid dynamics of fish skin surfaces*

NASA Astrophysics Data System (ADS)

Lauder, George V.; Wainwright, Dylan K.; Domel, August G.; Weaver, James C.; Wen, Li; Bertoldi, Katia

2016-10-01

The interface between the fluid environment and the surface of the body in swimming fishes is critical for both physiological and hydrodynamic functions. The skin surface in most species of fishes is covered with bony scales or toothlike denticles (in sharks). Despite the apparent importance of fish surfaces for understanding aquatic locomotion and near-surface boundary layer flows, relatively little attention has been paid to either the nature of surface textures in fishes or possible hydrodynamic effects of variation in roughness around the body surface within an individual and among species. Fish surfaces are remarkably diverse and in many bony fishes scales can have an intricate surface texture with projections, ridges, and comblike extensions. Shark denticles (or scales) are toothlike and project out of the skin to form a complexly textured surface that interacts with free-stream flow. Manufacturing biomimetic foils with fishlike surfaces allows hydrodynamic testing and we emphasize here the importance of dynamic test conditions where the effect of surface textures is assessed under conditions of self-propulsion. We show that simple two-dimensional foils with patterned cuts do not perform as well as a smooth control surface, but that biomimetic shark skin foils can swim at higher self-propelled speeds than smooth controls. When the arrangement of denticles on the foil surface is altered, we find that a staggered-overlapped pattern outperforms other arrangements. Flexible foils made of real shark skin outperform sanded controls when foils are moved with a biologically realistic motion program. We suggest that focus on the mechanisms of drag reduction by fish surfaces has been too limiting and an additional role of fish surface textures may be to alter leading edge vortices and flow patterns on moving surfaces in a way that enhances thrust. Analysis of water flow over an artificial shark skin foil under both static and dynamic conditions shows that a shear layer develops over the denticle surface and we propose that there is limited flow under the expanded surfaces of shark denticles. The diversity of fish scale types and textures and the effect of these surfaces on boundary layer flows and fish locomotor energetics is a rich area for future investigation.

Integrated assessment of groundwater - surface water exchange in the hillslope - riparian interface of a montane catchment

NASA Astrophysics Data System (ADS)

Scheliga, Bernhard; Tetzlaff, Doerthe; Nuetzmann, Gunnar; Soulsby, Chris

2016-04-01

Groundwater-surface water dynamics play an important role in runoff generation and the hydrologic connectivity between hillslopes and streams. Here, we present findings from a suite of integrated, empirical approaches to increase our understanding of groundwater-surface water interlinkages in a 3.2 km ^ 2 experimental catchment in the Scottish Highlands. The montane catchment is mainly underlain by granite and has extensive (70%) cover of glacial drift deposits which are up to 40 m deep and form the main aquifer in the catchment. Flat valley bottom areas fringe the stream channel and are characterised by peaty soils (0.5-4 m deep) which cover about 10% of the catchment and receive drainage from upslope areas. The transition between the hillslopes and riparian zone forms a critical interface for groundwater-surface water interactions that controls both the dynamics of riparian saturation and stream flow generation. We nested observations using wells to assess the groundwater - surface water transition, LiDAR surveys to explore the influence of micro-topography on shallow groundwater efflux and riparian wells to examine the magnitude and flux rates of deeper groundwater sources. We also used electrical resistivity surveys to assess the architecture and storage properties of drift aquifers. Finally, we used isotopic tracers to differentiate recharge sources and associated residence times as well as quantifying how groundwater dynamics affect stream flow. These new data have provided a novel conceptual framework for local groundwater - surface water exchange that is informing the development of new deterministic models for the site.

Hydrologic Variability Governs Population Dynamics of a Vulnerable Amphibian in an Arid Environment

PubMed Central

Zylstra, Erin R.; Steidl, Robert J.; Swann, Don E.; Ratzlaff, Kristina

2015-01-01

Dynamics of many amphibian populations are governed by the distribution and availability of water. Therefore, understanding the hydrological mechanisms that explain spatial and temporal variation in occupancy and abundance will improve our ability to conserve and recover populations of vulnerable amphibians. We used 16 years of survey data from intermittent mountain streams in the Sonoran Desert to evaluate how availability of surface water affected survival and adult recruitment of a threatened amphibian, the lowland leopard frog (Lithobates yavapaiensis). Across the entire study period, monthly survival of adults ranged from 0.72 to 0.99 during summer and 0.59 to 0.94 during winter and increased with availability of surface water (Z = 7.66; P < 0.01). Recruitment of frogs into the adult age class occurred primarily during winter and ranged from 1.9 to 3.8 individuals/season/pool; like survival, recruitment increased with availability of surface water (Z = 3.67; P < 0.01). Although abundance of frogs varied across seasons and years, we found no evidence of a systematic trend during the 16-year study period. Given the strong influence of surface water on population dynamics of leopard frogs, conservation of many riparian obligates in this and similar arid regions likely depends critically on minimizing threats to structures and ecosystem processes that maintain surface waters. Understanding the influence of surface-water availability on riparian organisms is particularly important because climate change is likely to decrease precipitation and increase ambient temperatures in desert riparian systems, both of which have the potential to alter fundamentally the hydrology of these systems. PMID:26030825

Unraveling atomic-level self-organization at the plasma-material interface

NASA Astrophysics Data System (ADS)

Allain, J. P.; Shetty, A.

2017-07-01

The intrinsic dynamic interactions at the plasma-material interface and critical role of irradiation-driven mechanisms at the atomic scale during exposure to energetic particles require a priori the use of in situ surface characterization techniques. Characterization of ‘active’ surfaces during modification at atomic-scale levels is becoming more important as advances in processing modalities are limited by an understanding of the behavior of these surfaces under realistic environmental conditions. Self-organization from exposure to non-equilibrium and thermalized plasmas enable dramatic control of surface morphology, topography, composition, chemistry and structure yielding the ability to tune material properties with an unprecedented level of control. Deciphering self-organization mechanisms of nanoscale morphology (e.g. nanodots, ripples) and composition on a variety of materials including: compound semiconductors, semiconductors, ceramics, polymers and polycrystalline metals via low-energy ion-beam assisted plasma irradiation are critical to manipulate functionality in nanostructured systems. By operating at ultra-low energies near the damage threshold, irradiation-driven defect engineering can be optimized and surface-driven mechanisms controlled. Tunability of optical, electronic, magnetic and bioactive properties is realized by reaching metastable phases controlled by atomic-scale irradiation-driven mechanisms elucidated by novel in situ diagnosis coupled to atomistic-level computational tools. Emphasis will be made on tailored surface modification from plasma-enhanced environments on particle-surface interactions and their subsequent modification of hard and soft matter interfaces. In this review, we examine current trends towards in situ and in operando surface and sub-surface characterization to unravel atomic-scale mechanisms at the plasma-material interface. This work will emphasize on recent advances in the field of plasma and ion-induced nanopatterning and nanostructuring as well as ultra-thin film deposition. Future outlook will examine the critical role of complementary surface-sensitive techniques and trends towards advances in both in situ and in operando tooling.

Scaling behavior of Film growth mechanism

NASA Astrophysics Data System (ADS)

Yoon, Mina; Nyung, Lee Ho; Suo, Zhigang; Hong, Wei; Christen, Hans M.; Lowndes, Doug; Zhang, Zhenyu

2006-03-01

Experimental evidence has accumulated that a strained film can grow stably on a vicinal surface. Linear perturbation analysis of the step-flow regime results in a dispersion relation which determines the persistence of the step-flow growth. The dispersion relation can also be used to probe the system parameters. Investigating the growth dynamics in the step-bunching regime, we found that there is a critical film thickness above which step-bunching occurs. The critical thickness shows a scaling behavior depending on the terrace width and the deposition flux. Experiments show a qualitative agreement with the theory. Our results may open a way to grow films in a desired way.

Vortex pinning and irreversibility fields in FeS1-xSex (x = 0, 0.06)

NASA Astrophysics Data System (ADS)

Wang, Aifeng; Petrovic, C.

2017-06-01

We report strong vortex pinning and large irreversibility fields in single crystals of tetragonal FeS1-xSex (x = 0, 0.06). Vortex dynamics is characterized by crossover in field dependence of the depinning energy U0, indicative of single flux surface pinning to the region of collective flux pinning on point-like defects. The close proximity of the irreversibility lines to the upper critical field (Hc2) is consistent with strong pinning in FeS and FeS0.94Se0.06, pointing that new materials with building-blocks of FeS4 tetrahedra are likely to host high critical currents.

Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks

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

Kolb, Brian; Department of Mechanical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139; Zhao, Bin

2016-06-14

The applicability and accuracy of the Behler-Parrinello atomistic neural network method for fitting reactive potential energy surfaces is critically examined in three systems, H + H{sub 2} → H{sub 2} + H, H + H{sub 2}O → H{sub 2} + OH, and H + CH{sub 4} → H{sub 2} + CH{sub 3}. A pragmatic Monte Carlo method is proposed to make efficient choice of the atom-centered mapping functions. The accuracy of the potential energy surfaces is not only tested by fitting errors but also validated by direct comparison in dynamically important regions and by quantum scattering calculations. Our results suggestmore » this method is both accurate and efficient in representing multidimensional potential energy surfaces even when dissociation continua are involved.« less

Preparation and properties of ZnS superhydrophobic surface with hierarchical structure

NASA Astrophysics Data System (ADS)

Yao, Lujun; Zheng, Maojun; He, Shuanghu; Ma, Li; Li, Mei; Shen, Wenzhong

2011-01-01

A novel ZnS hierarchical structure composed of nanorod arrays with branched nanosheets and nanowires grown on their upside walls, was synthesized over Au-coated silicon substrate via chemical vapor deposition technique. Contact angle and sliding angle of this hierarchical film with no surface modification were measured to be about 153.8° and 9.1° for 5 μl water droplets. Self-cleaning behavior and dynamic water-repelling performance were clearly demonstrated. In addition, electrowetting transition phenomenon from superhydrophobic to hydrophilic state happened when a critical bias ∼7.0 V was applied. Below this threshold voltage, the contact angle change is little. This work for the first time reports the creation of ZnS superhydrophobic surface and could enrich its research field as surface functional materials.

Communication: transition state theory for dissipative systems without a dividing surface.

PubMed

Revuelta, F; Bartsch, Thomas; Benito, R M; Borondo, F

2012-03-07

Transition state theory is a central cornerstone in reaction dynamics. Its key step is the identification of a dividing surface that is crossed only once by all reactive trajectories. This assumption is often badly violated, especially when the reactive system is coupled to an environment. The calculations made in this way then overestimate the reaction rate and the results depend critically on the choice of the dividing surface. In this Communication, we study the phase space of a stochastically driven system close to an energetic barrier in order to identify the geometric structure unambiguously determining the reactive trajectories, which is then incorporated in a simple rate formula for reactions in condensed phase that is both independent of the dividing surface and exact. © 2012 American Institute of Physics

Hybridized Kibble-Zurek scaling in the driven critical dynamics across an overlapping critical region

NASA Astrophysics Data System (ADS)

Zhai, Liang-Jun; Wang, Huai-Yu; Yin, Shuai

2018-04-01

The conventional Kibble-Zurek scaling describes the scaling behavior in the driven dynamics across a single critical region. In this paper, we study the driven dynamics across an overlapping critical region, in which a critical region (Region A) is overlaid by another critical region (Region B). We develop a hybridized Kibble-Zurek scaling (HKZS) to characterize the scaling behavior in the driven process. According to the HKZS, the driven dynamics in the overlapping region can be described by the critical theories for both Region A and Region B simultaneously. This results in a constraint on the scaling function in the overlapping critical region. We take the quantum Ising chain in an imaginary longitudinal field as an example. In this model, the critical region of the Yang-Lee edge singularity and the critical region of the ferromagnetic-paramagnetic phase transition overlap with each other. We numerically confirm the HKZS by simulating the driven dynamics in this overlapping critical region. The HKZSs in other models are also discussed.

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

Agostini, Federica; Abedi, Ali; Suzuki, Yasumitsu

The decomposition of electronic and nuclear motion presented in Abedi et al. [Phys. Rev. Lett. 105, 123002 (2010)] yields a time-dependent potential that drives the nuclear motion and fully accounts for the coupling to the electronic subsystem. Here, we show that propagation of an ensemble of independent classical nuclear trajectories on this exact potential yields dynamics that are essentially indistinguishable from the exact quantum dynamics for a model non-adiabatic charge transfer problem. We point out the importance of step and bump features in the exact potential that are critical in obtaining the correct splitting of the quasiclassical nuclear wave packetmore » in space after it passes through an avoided crossing between two Born-Oppenheimer surfaces and analyze their structure. Finally, an analysis of the exact potentials in the context of trajectory surface hopping is presented, including preliminary investigations of velocity-adjustment and the force-induced decoherence effect.« less

Dynamic superconcentration at critical-point double-layer gates of conducting nanoporous granules due to asymmetric tangential fluxes

PubMed Central

Wang, Shau-Chun; Wei, Hsien-Hung; Chen, Hsiao-Ping; Tsai, Min-Hsuan; Yu, Chun-Ching; Chang, Hsueh-Chia

2008-01-01

A transient 106-fold concentration of double-layer counterions by a high-intensity electric field is demonstrated at the exit pole of a millimeter-sized conducting nanoporous granule that permits ion permeation. The phenomenon is attributed to a unique counterion screening dynamics that transforms half of the surface field into a converging one toward the ejecting pole. The resulting surface conduction flux then funnels a large upstream electro-osmotic convective counterion flux into the injecting hemisphere toward the zero-dimensional gate of the ejecting hemisphere to produce the superconcentration. As the concentrated counterion is ejected into the electroneutral bulk electrolyte, it attracts co-ions and produce a corresponding concentration of the co-ions. This mechanism is also shown to trap and concentrate co-ion microcolloids of micron sizes too (macroions) and hence has potential application in bead-based molecular assays. PMID:19693364

Molecular dynamics simulations of bubble formation and cavitation in liquid metals.

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

Insepov, Z.; Hassanein, A.; Bazhirov, T. T.

2007-11-01

Thermodynamics and kinetics of nano-scale bubble formation in liquid metals such as Li and Pb were studied by molecular dynamics (MD) simulations at pressures typical for magnetic and inertial fusion. Two different approaches to bubble formation were developed. In one method, radial densities, pressures, surface tensions, and work functions of the cavities in supercooled liquid lithium were calculated and compared with the surface tension experimental data. The critical radius of a stable cavity in liquid lithium was found for the first time. In the second method, the cavities were created in the highly stretched region of the liquid phase diagram;more » and then the stability boundary and the cavitation rates were calculated in liquid lead. The pressure dependences of cavitation frequencies were obtained over the temperature range 700-2700 K in liquid Pb. The results of MD calculations for cavitation rate were compared with estimates of classical nucleation theory (CNT).« less

Critical fields and vortex pinning in overdoped Ba 0.2 K 0.8 Fe 2 As 2

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

Shen, B.; Leroux, M.; Wang, Y. L.

2015-05-19

We determine the upper and lower critical fields, the penetration depth and the vortex pinning characteristics of single crystals of overdoped Ba 0.2K 0.8Fe 2As 2 with T c ~ 10 K. We find that bulk vortex pinning is weak and vortex dynamics to be dominated by the geometrical surface barrier. The temperature dependence of the lower critical field, H c1, displays a distinctive upturn at low temperatures, which is suggestive of two distinct superconducting gaps. Furthermore, the penetration depth, λ, varies linearly with temperature below 4 K indicative of line nodes in the superconducting gap. As a result, thesemore » observations can be well described in a model based on a multi-band nodal superconducting gap.« less

Solid surface vs. liquid surface: nanoarchitectonics, molecular machines, and DNA origami.

PubMed

Ariga, Katsuhiko; Mori, Taizo; Nakanishi, Waka; Hill, Jonathan P

2017-09-13

The investigation of molecules and materials at interfaces is critical for the accumulation of new scientific insights and technological advances in the chemical and physical sciences. Immobilization on solid surfaces permits the investigation of different properties of functional molecules or materials with high sensitivity and high spatial resolution. Liquid surfaces also present important media for physicochemical innovation and insight based on their great flexibility and dynamicity, rapid diffusion of molecular components for mixing and rearrangements, as well as drastic spatial variation in the prevailing dielectric environment. Therefore, a comparative discussion of the relative merits of the properties of materials when positioned at solid or liquid surfaces would be informative regarding present-to-future developments of surface-based technologies. In this perspective article, recent research examples of nanoarchitectonics, molecular machines, DNA nanotechnology, and DNA origami are compared with respect to the type of surface used, i.e. solid surfaces vs. liquid surfaces, for future perspectives of interfacial physics and chemistry.

Seasonal dynamics of surface chlorophyll concentration and sea surface temperature, as indicator of hydrological structure of the ocean (by satellite data)

NASA Astrophysics Data System (ADS)

Shevyrnogov, Anatoly; Vysotskaya, Galina

Continuous monitoring of phytopigment concentrations and sea surface temperature in the ocean by space-borne methods makes possible to estimate ecological condition of biocenoses in critical areas. Unlike land vegetation, hydrological processes largely determine phytoplank-ton dynamics, which may be either recurrent or random. The types of chlorophyll concentration dynamics and sea surface temperature can manifest as zones quasistationary by seasonal dynamics, quasistationary areas (QSA). In the papers of the authors (A. Shevyrnogov, G. Vysotskaya, E. Shevyrnogov, A study of the stationary and the anomalous in the ocean surface chlorophyll distribution by satellite data. International Journal of Remote Sensing, Vol. 25, No.7-8, pp. 1383-1387, April 2004 & A. P. Shevyrnogov, G. S. Vysotskaya, J. I. Gitelson, Quasistationary areas of chlorophyll concentra-tion in the world ocean as observed satellite data Advances in Space Research, Volume 18, Issue 7, Pages 129-132, 1996) existence of zones, which are quasi-stationary with similar seasonal dynamics of chlorophyll concentration at surface layer of ocean, was shown. Results were obtained on the base of processing of time series of satellite images SeaWiFS. It was shown that fronts and frontal zones coincide with dividing lines between quasi-stationary are-as, especially in areas of large oceanic streams. To study the dynamics of the ocean for the period from 1985 through 2012 we used data on the temperature of the surface layer of the ocean and chlorophyll concentration (AVHRR, SeaWiFS and MODIS). Biota of surface oceanic layer is more stable in comparison with quickly changing surface tem-perature. It gives a possibility to circumvent influence of high-frequency component (for exam-ple, a diurnal cycle) in investigation of dynamics of spatial distribution of surface streams. In addition, an analyses of nonstable ocean productivity phenomena, stood out time series of satellite images, showed existence of areas with different types of instability in the all Global ocean. They are observed as adjacent nonstationary zones of different size, which are associ-ated by different ways with known oceanic phenomena. It is evident that dynamics of a spatial distribution of biological productivity can give an additional knowledge of complicated picture of surface oceanic layer hydrology. In this study we demonstrate different origin of appearance of quasistationary zones in the ocean. We can see that the border between quasi¬stationary zones is an indicator of the front between the Labrador Current and Gulfstream, other example of revealed pheno¬menon is a qua-sistationary area around of the British Isles that correlates with the relief of the oceanic bottom. Considering that the QSA maps are calculated almost for all surface of the Global ocean, not all QSA can be explained especially of small size. Although some small QSA are interesting. Also local QSA near estuaries of large rivers and large industrial centers, that can be result of a human impact. In sum satellite data is a powerful instrument for investigation of dynamic oceanic processes, their stability and unstability. The result of such study can be used for monitoring of long-term changes and their correlation of with climate dynamics.

Quantum-to-classical crossover near quantum critical point

DOE PAGES

Vasin, M.; Ryzhov, V.; Vinokur, V. M.

2015-12-21

A quantum phase transition (QPT) is an inherently dynamic phenomenon. However, while non-dissipative quantum dynamics is described in detail, the question, that is not thoroughly understood is how the omnipresent dissipative processes enter the critical dynamics near a quantum critical point (QCP). Here we report a general approach enabling inclusion of both adiabatic and dissipative processes into the critical dynamics on the same footing. We reveal three distinct critical modes, the adiabatic quantum mode (AQM), the dissipative classical mode [classical critical dynamics mode (CCDM)], and the dissipative quantum critical mode (DQCM). We find that as a result of the transitionmore » from the regime dominated by thermal fluctuations to that governed by the quantum ones, the system acquires effective dimension d+zΛ(T), where z is the dynamical exponent, and temperature-depending parameter Λ(T)ε[0, 1] decreases with the temperature such that Λ(T=0) = 1 and Λ(T →∞) = 0. Lastly, our findings lead to a unified picture of quantum critical phenomena including both dissipation- and dissipationless quantum dynamic effects and offer a quantitative description of the quantum-to-classical crossover.« less

The coupled dynamics of fluids and spacecraft in low gravity and low gravity fluid measurement

NASA Technical Reports Server (NTRS)

Hansman, R. John; Peterson, Lee D.; Crawley, Edward F.

1987-01-01

The very large mass fraction of liquids stored on broad current and future generation spacecraft has made critical the technologies of describing the fluid-spacecraft dynamics and measuring or gauging the fluid. Combined efforts in these areas are described, and preliminary results are presented. The coupled dynamics of fluids and spacecraft in low gravity study is characterizing the parametric behavior of fluid-spacecraft systems in which interaction between the fluid and spacecraft dynamics is encountered. Particular emphasis is given to the importance of nonlinear fluid free surface phenomena to the coupled dynamics. An experimental apparatus has been developed for demonstrating a coupled fluid-spacecraft system. In these experiments, slosh force signals are fed back to a model tank actuator through a tunable analog second order integration circuit. In this manner, the tank motion is coupled to the resulting slosh force. Results are being obtained in 1-g and in low-g (on the NASA KC-135) using dynamic systems nondimensionally identical except for the Bond numbers.

Atomistic Design and Simulations of Nanoscale Machines and Assembly

NASA Technical Reports Server (NTRS)

Goddard, William A., III; Cagin, Tahir; Walch, Stephen P.

2000-01-01

Over the three years of this project, we made significant progress on critical theoretical and computational issues in nanoscale science and technology, particularly in:(1) Fullerenes and nanotubes, (2) Characterization of surfaces of diamond and silicon for NEMS applications, (3) Nanoscale machine and assemblies, (4) Organic nanostructures and dendrimers, (5) Nanoscale confinement and nanotribology, (6) Dynamic response of nanoscale structures nanowires (metals, tubes, fullerenes), (7) Thermal transport in nanostructures.

Elucidation of Lipid Binding Sites on Lung Surfactant Protein A Using X-ray Crystallography, Mutagenesis, and Molecular Dynamics Simulations.

PubMed

Goh, Boon Chong; Wu, Huixing; Rynkiewicz, Michael J; Schulten, Klaus; Seaton, Barbara A; McCormack, Francis X

2016-07-05

Surfactant protein A (SP-A) is a collagenous C-type lectin (collectin) that is critical for pulmonary defense against inhaled microorganisms. Bifunctional avidity of SP-A for pathogen-associated molecular patterns (PAMPs) such as lipid A and for dipalmitoylphosphatidylcholine (DPPC), the major component of surfactant membranes lining the air-liquid interface of the lung, ensures that the protein is poised for first-line interactions with inhaled pathogens. To improve our understanding of the motifs that are required for interactions with microbes and surfactant structures, we explored the role of the tyrosine-rich binding surface on the carbohydrate recognition domain of SP-A in the interaction with DPPC and lipid A using crystallography, site-directed mutagenesis, and molecular dynamics simulations. Critical binding features for DPPC binding include a three-walled tyrosine cage that binds the choline headgroup through cation-π interactions and a positively charged cluster that binds the phosphoryl group. This basic cluster is also critical for binding of lipid A, a bacterial PAMP and target for SP-A. Molecular dynamics simulations further predict that SP-A binds lipid A more tightly than DPPC. These results suggest that the differential binding properties of SP-A favor transfer of the protein from surfactant DPPC to pathogen membranes containing appropriate lipid PAMPs to effect key host defense functions.

Study of deformation evolution during failure of rock specimens using laser-based vibration measurements

NASA Astrophysics Data System (ADS)

Smolin, I. Yu.; Kulkov, A. S.; Makarov, P. V.; Tunda, V. A.; Krasnoveikin, V. A.; Eremin, M. O.; Bakeev, R. A.

2017-12-01

The aim of the paper is to analyze experimental data on the dynamic response of the marble specimen in uniaxial compression. To make it we use the methods of mathematical statistics. The lateral surface velocity evolution obtained by the laser Doppler vibrometer represents the data for analysis. The registered data were regarded as a time series that reflects deformation evolution of the specimen loaded up to failure. The revealed changes in statistical parameters were considered as precursors of failure. It is shown that before failure the deformation response is autocorrelated and reflects the states of dynamic chaos and self-organized criticality.

Simulating Regoliths in a Microgravity Environment

NASA Astrophysics Data System (ADS)

Murdoch, N.; Rozitis, B.; Green, S. F.; Michel, P.; Losert, W.; de Lophem, T. L.

2011-10-01

The dynamics of granular materials are involved in the evolution of solid planets and small bodies in our Solar System, whose surfaces are generally covered with regolith. An understanding of granular dynamics appears also to be critical for the design and/or operations of landers, sampling devices and rovers to be included in space missions. The AstEx experiment uses a microgravity modified Taylor-Couette shear cell to investigate granular motion caused by shear and shear reversal forces under the microgravity conditions of parabolic flight. The results will lead to a greater understanding of the mechanical response of granular materials subject to external forces in varying gravitational environments.

Does the Sverdrup critical depth model explain bloom dynamics in estuaries?

USGS Publications Warehouse

Lucas, L.V.; Cloern, J.E.; Koseff, Jeffrey R.; Monismith, Stephen G.; Thompson, J.K.

1998-01-01

In this paper we use numerical models of coupled biological-hydrodynamic processes to search for general principles of bloom regulation in estuarine waters. We address three questions: what are the dynamics of stratification in coastal systems as influenced by variable freshwater input and tidal stirring? How does phytoplankton growth respond to these dynamics? Can the classical Sverdrup Critical Depth Model (SCDM) be used to predict the timing of bloom events in shallow coastal domains such as estuaries? We present results of simulation experiments which assume that vertical transport and net phytoplankton growth rates are horizontally homogeneous. In the present approach the temporally and spatially varying turbulent diffusivities for various stratification scenarios are calculated using a hydrodynamic code that includes the Mellor-Yamada 2.5 turbulence closure model. These diffusivities are then used in a time- and depth-dependent advection-diffusion equation, incorporating sources and sinks, for the phytoplankton biomass. Our modeling results show that, whereas persistent stratification greatly increases the probability of a bloom, semidiurnal periodic stratification does not increase the likelihood of a phytoplankton bloom over that of a constantly unstratified water column. Thus, for phytoplankton blooms, the physical regime of periodic stratification is closer to complete mixing than to persistent stratification. Furthermore, the details of persistent stratification are important: surface layer depth, thickness of the pycnocline, vertical density difference, and tidal current speed all weigh heavily in producing conditions which promote the onset of phytoplankton blooms. Our model results for shallow tidal systems do not conform to the classical concepts of stratification and blooms in deep pelagic systems. First, earlier studies (Riley, 1942, for example) suggest a monotonic increase in surface layer production as the surface layer shallows. Our model results suggest, however, a nonmonotonic relationship between phytoplankton population growth and surface layer depth, which results from a balance between several 'competing' processes, including the interaction of sinking with turbulent mixing and average net growth occurring within the surface layer. Second, we show that the traditional SCDM must be refined for application to energetic shallow systems or for systems in which surface layer mixing is not strong enough to counteract the sinking loss of phytoplankton. This need for refinement arises because of the leakage of phytoplankton from the surface layer by turbulent diffusion and sinking, processes not considered in the classical SCDM. Our model shows that, even for low sinking rates and small turbulent diffusivities, a significant % of the phytoplankton biomass produced in the surface layer can be lost by these processes.

Cinematic Operation of the Cerebral Cortex Interpreted via Critical Transitions in Self-Organized Dynamic Systems

PubMed Central

Kozma, Robert; Freeman, Walter J.

2017-01-01

Measurements of local field potentials over the cortical surface and the scalp of animals and human subjects reveal intermittent bursts of beta and gamma oscillations. During the bursts, narrow-band metastable amplitude modulation (AM) patters emerge for a fraction of a second and ultimately dissolve to the broad-band random background activity. The burst process depends on previously learnt conditioned stimuli (CS), thus different AM patterns may emerge in response to different CS. This observation leads to our cinematic theory of cognition when perception happens in discrete steps manifested in the sequence of AM patterns. Our article summarizes findings in the past decades on experimental evidence of cinematic theory of cognition and relevant mathematical models. We treat cortices as dissipative systems that self-organize themselves near a critical level of activity that is a non-equilibrium metastable state. Criticality is arguably a key aspect of brains in their rapid adaptation, reconfiguration, high storage capacity, and sensitive response to external stimuli. Self-organized criticality (SOC) became an important concept to describe neural systems. We argue that transitions from one AM pattern to the other require the concept of phase transitions, extending beyond the dynamics described by SOC. We employ random graph theory (RGT) and percolation dynamics as fundamental mathematical approaches to model fluctuations in the cortical tissue. Our results indicate that perceptions are formed through a phase transition from a disorganized (high entropy) to a well-organized (low entropy) state, which explains the swiftness of the emergence of the perceptual experience in response to learned stimuli. PMID:28352218

Leaf area dynamics of conifer forests

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

Margolis, H.; Oren, R.; Whitehead, D.

1995-07-01

Estimating the surface area of foliage supported by a coniferous forest canopy is critical for modeling its biological properties. Leaf area represents the surface area available for the interception of energy, the absorption of carbon dioxide, and the diffusion of water from the leaf to the atmosphere. The concept of leaf area is pertinent to the physiological and ecological dynamics of conifers at a wide range of spatial scales, from individual leaves to entire biomes. In fact, the leaf area of vegetation at a global level can be thought of as a carbon-absorbing, water-emitting membrane of variable thickness, which canmore » have an important influence on the dynamics and chemistry of the Earth`s atmosphere over both the short and the long term. Unless otherwise specified, references to leaf area herein refer to projected leaf area, i.e., the vertical projection of needles placed on a flat plane. Total leaf surface area is generally from 2.0 to 3.14 times that of projected leaf area for conifers. It has recently been suggested that hemisurface leaf area, i.e., one-half of the total surface area of a leaf, a more useful basis for expressing leaf area than is projected area. This chapter is concerned with the dynamics of coniferous forest leaf area at different spatial and temporal scales. In the first part, we consider various hypotheses related to the control of leaf area development, ranging from simple allometric relations with tree size to more complex mechanistic models that consider the movement of water and nutrients to tree canopies. In the second part, we consider various aspects of leaf area dynamics at varying spatial and temporal scales, including responses to perturbation, seasonal dynamics, genetic variation in crown architecture, the responses to silvicultural treatments, the causes and consequences of senescence, and the direct measurement of coniferous leaf area at large spatial scales using remote sensing.« less

Representation of Renormalization Group Functions By Nonsingular Integrals in a Model of the Critical Dynamics of Ferromagnets: The Fourth Order of The ɛ-Expansion

NASA Astrophysics Data System (ADS)

Adzhemyan, L. Ts.; Vorob'eva, S. E.; Ivanova, E. V.; Kompaniets, M. V.

2018-04-01

Using the representation for renormalization group functions in terms of nonsingular integrals, we calculate the dynamical critical exponents in the model of critical dynamics of ferromagnets in the fourth order of the ɛ-expansion. We calculate the Feynman diagrams using the sector decomposition technique generalized to critical dynamics problems.

Direct visualization of nanoparticle dynamics at liquid interfaces

NASA Astrophysics Data System (ADS)

Gao, Yige; Kim, Paul; Hoagland, David; Russell, Tom

Ionic liquids, because of their negligible vapor pressures and moderate viscosities, are suitable media to investigate the dynamics of different types of dispersed nanoparticles by scanning electron microscopy. No liquid cell is necessary. Here, Brownian motions of nanoparticles partially wetted at the vacuum-liquid interface are visualized by low voltage SEM under conditions that allow single particle tracking for tens-of-minutes or longer. Conductive, nonconductive, semiconductive, and core-shell conductive-nonconductive nanoparticles have all been studied, and their interactions with each other in one- and two-component layers, as manifested in particle trajectories, differ significantly. For example, Au-coated silica nanoparticles aggregate above a threshold current, whereas aggregated silica-coated Au nanoparticles disaggregate at the same conditions. The impacts of surface concentration of nanoparticle dynamics were observed for one-component and two-component layers, with both global and localized motions visualized for single particles even in dense environments. As the surface concentration increases, the diffusion coefficient drops, and when the concentration reaches a critical threshold, the nanoparticles are essentially frozen. Financial support from NSF DMR-1619651 is acknowledged.

Modulation of spin dynamics via voltage control of spin-lattice coupling in multiferroics

DOE PAGES

Zhu, Mingmin; Zhou, Ziyao; Peng, Bin; ...

2017-02-03

Our work aims at magnonics manipulation by the magnetoelectric coupling effect and is motivated by the most recent progresses in both magnonics (spin dynamics) and multiferroics fields. Here, voltage control of magnonics, particularly the surface spin waves, is achieved in La 0.7Sr 0.3MnO 3/0.7Pb(Mg 1/3Nb 2/3)O 3-0.3PbTiO 3 multiferroic heterostructures. With the electron spin resonance method, a large 135 Oe shift of surface spin wave resonance (≈7 times greater than conventional voltage-induced ferromagnetic resonance shift of 20 Oe) is determined. A model of the spin-lattice coupling effect, i.e., varying exchange stiffness due to voltage-induced anisotropic lattice changes, has been establishedmore » to explain experiment results with good agreement. In addition, an “on” and “off” spin wave state switch near the critical angle upon applying a voltage is created. The modulation of spin dynamics by spin-lattice coupling effect provides a platform for realizing energy-efficient, tunable magnonics devices.« less

Dynamics of Transformation from Platinum Icosahedral Nanoparticles to Larger FCC Crystal at Millisecond Time Resolution

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

Gao, Wenpei; Wu, Jianbo; Yoon, Aram

Atomic motion at grain boundaries is essential to microstructure development, growth and stability of catalysts and other nanostructured materials. However, boundary atomic motion is often too fast to observe in a conventional transmission electron microscope (TEM) and too slow for ultrafast electron microscopy. We report on the entire transformation process of strained Pt icosahedral nanoparticles (ICNPs) into larger FCC crystals, captured at 2.5 ms time resolution using a fast electron camera. Results show slow diffusive dislocation motion at nm/s inside ICNPs and fast surface transformation at μm/s. By characterizing nanoparticle strain, we show that the fast transformation is driven bymore » inhomogeneous surface stress. And interaction with pre-existing defects led to the slowdown of the transformation front inside the nanoparticles. Particle coalescence, assisted by oxygen-induced surface migration at T ≥ 300°C, also played a critical role. Thus by studying transformation in the Pt ICNPs at high time and spatial resolution, we obtain critical insights into the transformation mechanisms in strained Pt nanoparticles.« less

Quasilocal energy and surface geometry of Kerr spacetime

NASA Astrophysics Data System (ADS)

Yu, Chengjie; Liu, Jian-Liang

2017-04-01

We study the quasilocal energy (QLE) and the surface geometry for Kerr spacetime in the Boyer-Lindquist coordinates without taking the slow rotation approximation. We also consider in the region r ≤2 m , which is inside the ergosphere. For a certain region, r >rk(a ) , the Gaussian curvature of the surface with constant t , r is positive, and for r >√{3 }a the critical value of the QLE is positive. We found that the three curves: the outer horizon r =r+(a ), r =rk(a ) and r =√{3 }a intersect at the point a =√{3 }m /2 , which is the limit for the horizon to be isometrically embedded into R3. The numerical result indicates that the Kerr QLE is monotonically decreasing to the ADM m from the region inside the ergosphere to large r . Based on the second law of black hole dynamics, the QLE is increasing with respect to the irreducible mass Mir. From the results of Chen-Wang-Yau, we conclude that in a certain region, r >rh(a ), the critical value of the Kerr QLE is a global minimum.

Meniscus Stability in Rotating Systems

NASA Astrophysics Data System (ADS)

Reichel, Yvonne; Dreyer, Michael

2013-11-01

In this study, the stability of free surfaces of fluid between two rotating coaxial, circular disks is examined. Radially mounted baffles are used to form menisci of equal size. To the center of the upper disk, a tube is connected in which a separate meniscus is formed. Assuming solid-body rotation and ignoring dynamic effects, it is observed that the free surfaces between the disks fail to remain stable once the rotation speed exceeds a critical value. In other words, Rayleigh-Taylor instability ensues when the capillary forces fail to balance centrifugal forces. Dimensionless critical rotation speeds are studied by means of the Surface Evolver via SE-FIT for varied number of baffles, the normalized distance between the disks, and the normalized central tube radius. Drop tower tests are performed to confirm some of the numerical results. The computation also reveals that there are different modes of instability as a function of the relevant parameters. This study was funded by the space agency of the German Aerospace Center with resources of the Federal Ministry of Economics and Technology on the basis of a resolution of the German Bundestag under grant number 50 RL 1320.

Analysis of Dislocation Emission during Microvoid Growth in Ductile Metals

NASA Astrophysics Data System (ADS)

Belak, James; Rudd, Robert E.

2001-03-01

Fracture in ductile metals occurs through the nucleation and growth of microscopic voids. This talk focuses on the initial stage when dislocations are first emitted from the void surface. The model system consists of a spherical void in an otherwise perfect crystal under triaxial tension. The stress field is calculated using continuum techniques, both finite element and analytic forms due to Eshelby, and compared with large-scale molecular dynamics (MD) simulation. The stress field is used to derive a criterion for dislocation nucleation on the glide planes intersecting the void surface. The critical resolved shear stress and the unstable stacking fault energy for the strain at the surface are used to compare to the critical stress for void growth in the MD simulations. Acknowledgement: This work was performed under the auspices of the US Dept. of Energy at the University of California/Lawrence Livermore National Laboratory under contract no. W-7405-Eng-48. [1] J. Belak, "On the nucleation and growth of voids at high strain-rates," J. Comp.-Aided Mater. Design 5, 193 (1998).

From terrestrial to aquatic fluxes: Integrating stream dynamics within a dynamic global vegetation modeling framework

NASA Astrophysics Data System (ADS)

Hoy, Jerad; Poulter, Benjamin; Emmett, Kristen; Cross, Molly; Al-Chokhachy, Robert; Maneta, Marco

2016-04-01

Integrated terrestrial ecosystem models simulate the dynamics and feedbacks between climate, vegetation, disturbance, and hydrology and are used to better understand biogeography and biogeochemical cycles. Extending dynamic vegetation models to the aquatic interface requires coupling surface and sub-surface runoff to catchment routing schemes and has the potential to enhance how researchers and managers investigate how changes in the environment might impact the availability of water resources for human and natural systems. In an effort towards creating such a coupled model, we developed catchment-based hydrologic routing and stream temperature model to pair with LPJ-GUESS, a dynamic global vegetation model. LPJ-GUESS simulates detailed stand-level vegetation dynamics such as growth, carbon allocation, and mortality, as well as various physical and hydrologic processes such as canopy interception and through-fall, and can be applied at small spatial scales, i.e., 1 km. We demonstrate how the coupled model can be used to investigate the effects of transient vegetation dynamics and CO2 on seasonal and annual stream discharge and temperature regimes. As a direct management application, we extend the modeling framework to predict habitat suitability for fish habitat within the Greater Yellowstone Ecosystem, a 200,000 km2 region that provides critical habitat for a range of aquatic species. The model is used to evaluate, quantitatively, the effects of management practices aimed to enhance hydrologic resilience to climate change, and benefits for water storage and fish habitat in the coming century.

Wall roughness effect on gas dynamics in supersonic ejector

NASA Astrophysics Data System (ADS)

Aronson, K. E.; Brezgin, D. V.

2016-10-01

The paper presents the numerical simulations results in order to figure out the influence of the wall surface roughness on gas-dynamic processes inside the supersonic ejector. For these purposes two commercial CFD-solvers (Star-CCM+ and Fluent) were used. A detailed comparative study of the built-in tools and approaches in both CFD-packages for evaluation of surface roughness effects on the logarithmic law velocity distribution inside the boundary layer is carried out. Influence of ejector surface roughness is compared with the influence of the backpressure. It is found out that either increasing the backpressure behind the ejector or increasing the surface roughness height, the appearance section of a pressure shock is displaced upstream (closer to the primary nozzle). The numerical simulations results of the ejector with rough walls in both CFD-solvers are well quantitative agreed between each other in terms of the mass flow rates and are well qualitative consistent in terms of the local flow parameters distribution. It is found out that in case of exceeding the "critical roughness height" for the given geometry and boundary conditions, the ejector switches to the "off-design" mode and its performance is significantly reduced.

Effective Dynamics of Microorganisms That Interact with Their Own Trail

NASA Astrophysics Data System (ADS)

Kranz, W. Till; Gelimson, Anatolij; Zhao, Kun; Wong, Gerard C. L.; Golestanian, Ramin

2016-07-01

Like ants, some microorganisms are known to leave trails on surfaces to communicate. We explore how trail-mediated self-interaction could affect the behavior of individual microorganisms when diffusive spreading of the trail is negligible on the time scale of the microorganism using a simple phenomenological model for an actively moving particle and a finite-width trail. The effective dynamics of each microorganism takes on the form of a stochastic integral equation with the trail interaction appearing in the form of short-term memory. For a moderate coupling strength below an emergent critical value, the dynamics exhibits effective diffusion in both orientation and position after a phase of superdiffusive reorientation. We report experimental verification of a seemingly counterintuitive perpendicular alignment mechanism that emerges from the model.

Spontaneous cavitation in a Lennard-Jones liquid: Molecular dynamics simulation and the van der Waals-Cahn-Hilliard gradient theory

NASA Astrophysics Data System (ADS)

Baidakov, Vladimir G.

2016-02-01

The process of bubble nucleation in a Lennard-Jones (LJ) liquid is studied by molecular dynamics (MD) simulation. The bubble nucleation rate J is determined by the mean life-time method at temperatures above that of the triple point in the region of negative pressures. The results of simulation are compared with classical nucleation theory (CNT) and modified classical nucleation theory (MCNT), in which the work of formation of a critical bubble is determined in the framework of the van der Waals-Cahn-Hilliard gradient theory (GT). It has been found that the values of J obtained in MD simulation systematically exceed the data of CNT, and this excess in the nucleation rate reaches 8-10 orders of magnitude close to the triple point temperature. The results of MCNT are in satisfactory agreement with the data of MD simulation. To describe the properties of vapor-phase nuclei in the framework of GT, an equation of state has been built up which describes stable, metastable and labile regions of LJ fluids. The surface tension of critical bubbles γ has been found from CNT and data of MD simulation as a function of the radius of curvature of the surface of tension R*. The dependence γ(R*) has also been calculated from GT. The Tolman length has been determined, which is negative and in modulus equal to ≈(0.1 - 0.2) σ. The paper discusses the applicability of the Tolman formula to the description of the properties of critical nuclei in nucleation.

Time-dependent density functional theory for open systems with a positivity-preserving decomposition scheme for environment spectral functions

NASA Astrophysics Data System (ADS)

Wang, RuLin; Zheng, Xiao; Kwok, YanHo; Xie, Hang; Chen, GuanHua; Yam, ChiYung

2015-04-01

Understanding electronic dynamics on material surfaces is fundamentally important for applications including nanoelectronics, inhomogeneous catalysis, and photovoltaics. Practical approaches based on time-dependent density functional theory for open systems have been developed to characterize the dissipative dynamics of electrons in bulk materials. The accuracy and reliability of such approaches depend critically on how the electronic structure and memory effects of surrounding material environment are accounted for. In this work, we develop a novel squared-Lorentzian decomposition scheme, which preserves the positive semi-definiteness of the environment spectral matrix. The resulting electronic dynamics is guaranteed to be both accurate and convergent even in the long-time limit. The long-time stability of electronic dynamics simulation is thus greatly improved within the current decomposition scheme. The validity and usefulness of our new approach are exemplified via two prototypical model systems: quasi-one-dimensional atomic chains and two-dimensional bilayer graphene.

Effect of Cell Aspect Ratio on Swarming Bacteria

NASA Astrophysics Data System (ADS)

Ilkanaiv, Bella; Kearns, Daniel B.; Ariel, Gil; Be'er, Avraham

2017-04-01

Swarming bacteria collectively migrate on surfaces using flagella, forming dynamic whirls and jets that consist of millions of individuals. Because some swarming bacteria elongate prior to actual motion, cell aspect ratio may play a significant role in the collective dynamics. Extensive research on self-propelled rodlike particles confirms that elongation promotes alignment, strongly affecting the dynamics. Here, we study experimentally the collective dynamics of variants of swarming Bacillus subtilis that differ in length. We show that the swarming statistics depends on the aspect ratio in a critical, fundamental fashion not predicted by theory. The fastest motion was obtained for the wild-type and variants that are similar in length. However, shorter and longer cells exhibit anomalous, non-Gaussian statistics and nonexponential decay of the autocorrelation function, indicating lower collective motility. These results suggest that the robust mechanisms to maintain aspect ratios may be important for efficient swarming motility. Wild-type cells are optimal in this sense.

Interferometer for measuring dynamic corneal topography

NASA Astrophysics Data System (ADS)

Micali, Jason Daniel

The cornea is the anterior most surface of the eye and plays a critical role in vision. A thin fluid layer, the tear film, coats the outer surface of the cornea and serves to protect, nourish, and lubricate the cornea. At the same time, the tear film is responsible for creating a smooth continuous surface where the majority of refraction takes place in the eye. A significant component of vision quality is determined by the shape of the cornea and stability of the tear film. It is desirable to possess an instrument that can measure the corneal shape and tear film surface with the same accuracy and resolution that is currently performed on common optical elements. A dual interferometer system for measuring the dynamic corneal topography is designed, built, and verified. The completed system is validated by testing on human subjects. The system consists of two co-aligned polarization splitting Twyman-Green interferometers designed to measure phase instantaneously. The primary interferometer measures the surface of the tear film while the secondary interferometer simultaneously tracks the absolute position of the cornea. Eye motion, ocular variation, and a dynamic tear film surface will result in a non-null configuration of the surface with respect to the interferometer system. A non-null test results in significant interferometer induced errors that add to the measured phase. New algorithms are developed to recover the absolute surface topography of the tear film and corneal surface from the simultaneous interferometer measurements. The results are high-resolution and high-accuracy surface topography measurements of the in vivo cornea that are captured at standard camera frame rates. This dissertation will cover the development and construction of an interferometer system for measuring the dynamic corneal topography of the human eye. The discussion starts with the completion of an interferometer for measuring the tear film. The tear film interferometer is part of an ongoing research project that has spanned multiple dissertations. For this research, the instrument was tested on human subjects and resulted in refinements to the interferometer design. The final configuration of the tear film interferometer and results from human subjects testing are presented. Feedback from this instrument was used to support the development and construction of the interferometric corneal topographer system. A calibration is performed on the instrument, and then verified against simulated eye surfaces. Finally, the instrument is validated by testing on human subjects. The result is an interferometer system that can non-invasively measure the dynamic corneal topography with greater accuracy and resolution than existing technologies.

Dynamics of liquid bridges inside microchannels subject to pure oscillatory flows

NASA Astrophysics Data System (ADS)

Ahmadlouydarab, Majid; Azaiez, Jalel; Chen, Zhangxin

2014-11-01

We report on 2D simulations of liquid bridges' dynamics in microchannels of uniform wettability and subject to external oscillatory flows. The flow equations were solved using the Cahn-Hilliard diffuse-interface formulation and the finite element method with unstructured grid. It was found that regardless of the wettability properties of the microchannel walls, there is a critical frequency above which the bridge shows perpetual periodic oscillatory motion. Below that critical frequency, the liquid bridge ruptures when the channel walls are philic and detaches from the surface when they are phobic. This critical frequency depends on the viscosity ratio, oscillation amplitude and geometric aspect ratio of the bridge. It was also found that the flow velocity is out of phase with the footprint/throat lengths and that the latter two show a phase difference. These differences were explained in terms of the motion of the two contact lines on the substrates and the deformation of the fluid-fluid interfaces. To characterize the behavior of the liquid bridge, two quantitative parameters; the liquid bridge-solid interfacial length and the length of the throat of the liquid bridge were used. Variations of the interfacial morphology development of the bridge were analyzed to understand the bridge response.

Effects of temperature, loading rate and nanowire length on torsional deformation and mechanical properties of aluminium nanowires investigated using molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Sung, Po-Hsien; Wu, Cheng-Da; Fang, Te-Hua

2012-05-01

Single-crystal aluminium nanowires under torsion are studied using molecular dynamics simulations based on the many-body tight-binding potential. The effects of temperature, loading rate and nanowire length are evaluated in terms of atomic trajectories, potential energy, von Mises stress, a centrosymmetry parameter, torque, shear modulus and radial distribution function. Simulation results clearly show that torsional deformation begins at the surface, extends close to the two ends and finally diffuses to the middle part. The critical torsional angle which represents the beginning of plastic deformation varies with different conditions. Before the critical torsional angle is reached, the potential energy and the torque required for the deformation of a nanowire significantly increase with the torsional angle. The critical torsional angle increases with increasing nanowire length and loading rate and decreasing temperature. The torque required for the deformation decreases and the shear modulus increases with increasing nanowire length. For higher temperatures and higher loading rates, torsional buckling more easily occurs at the two ends of a nanowire, whereas it occurs towards the middle part at or below room temperature with lower loading rates. Geometry instability occurs before material instability (buckling) for a long nanowire.

Mapping land cover change over continental Africa using Landsat and Google Earth Engine cloud computing.

PubMed

Midekisa, Alemayehu; Holl, Felix; Savory, David J; Andrade-Pacheco, Ricardo; Gething, Peter W; Bennett, Adam; Sturrock, Hugh J W

2017-01-01

Quantifying and monitoring the spatial and temporal dynamics of the global land cover is critical for better understanding many of the Earth's land surface processes. However, the lack of regularly updated, continental-scale, and high spatial resolution (30 m) land cover data limit our ability to better understand the spatial extent and the temporal dynamics of land surface changes. Despite the free availability of high spatial resolution Landsat satellite data, continental-scale land cover mapping using high resolution Landsat satellite data was not feasible until now due to the need for high-performance computing to store, process, and analyze this large volume of high resolution satellite data. In this study, we present an approach to quantify continental land cover and impervious surface changes over a long period of time (15 years) using high resolution Landsat satellite observations and Google Earth Engine cloud computing platform. The approach applied here to overcome the computational challenges of handling big earth observation data by using cloud computing can help scientists and practitioners who lack high-performance computational resources.

Mapping land cover change over continental Africa using Landsat and Google Earth Engine cloud computing

PubMed Central

Holl, Felix; Savory, David J.; Andrade-Pacheco, Ricardo; Gething, Peter W.; Bennett, Adam; Sturrock, Hugh J. W.

2017-01-01

Quantifying and monitoring the spatial and temporal dynamics of the global land cover is critical for better understanding many of the Earth’s land surface processes. However, the lack of regularly updated, continental-scale, and high spatial resolution (30 m) land cover data limit our ability to better understand the spatial extent and the temporal dynamics of land surface changes. Despite the free availability of high spatial resolution Landsat satellite data, continental-scale land cover mapping using high resolution Landsat satellite data was not feasible until now due to the need for high-performance computing to store, process, and analyze this large volume of high resolution satellite data. In this study, we present an approach to quantify continental land cover and impervious surface changes over a long period of time (15 years) using high resolution Landsat satellite observations and Google Earth Engine cloud computing platform. The approach applied here to overcome the computational challenges of handling big earth observation data by using cloud computing can help scientists and practitioners who lack high-performance computational resources. PMID:28953943

Thermodiffusion as a means to manipulate liquid film dynamics on chemically patterned surfaces

PubMed Central

Kalpathy, Sreeram K.; Shreyes, Amrita Ravi

2017-01-01

The model problem examined here is the stability of a thin liquid film consisting of two miscible components, resting on a chemically patterned solid substrate and heated from below. In addition to surface tension gradients, the temperature variations also induce gradients in the concentration of the film by virtue of thermodiffusion/Soret effects. We study the stability and dewetting behaviour due to the coupled interplay between thermal gradients, Soret effects, long-range van der Waals forces, and wettability gradient-driven flows. Linear stability analysis is first employed to predict growth rates and the critical Marangoni number for chemically homogeneous surfaces. Then, nonlinear simulations are performed to unravel the interfacial dynamics and possible locations of the film rupture on chemically patterned substrates. Results suggest that appropriate tuning of the Soret parameter and its direction, in conjunction with either heating or cooling, can help manipulate the location and time scales of the film rupture. The Soret effect can either potentially aid or oppose film instability depending on whether the thermal and solutal contributions to flow are cooperative or opposed to each other. PMID:28595391

Characterization of extreme air-sea turbulent fluxes

NASA Astrophysics Data System (ADS)

Gulev, Sergey; Belyaev, Konstantin

2017-04-01

Extreme ocean-atmosphere turbulent fluxes play a critical role in the convective processes in the mid and subpolar latitudes and may also affect a variety of atmospheric processes, such as generation and re-intensification of extreme cyclones in the areas of the mid latitude storm tracks. From the ocean dynamics perspective, specifically for quantifying extreme vertical mixing, characterization of the extreme fluxes requires, besides estimation of the extreme events, also consideration of the relative extremeness of surface fluxes and their timing, e.g. the duration of periods of high surface fluxes. In order to comprehensively characterize extreme turbulent fluxes at sea surface we propose a formalism based upon probability density distributions of surface turbulent fluxes and flux-related variables. Individual absolute flux extremes were derived using Modified Fisher-Tippett (MFT) distribution of turbulent fluxes. Then, we extend this distribution to the fractional distribution, characterizing the fraction of time-integrated turbulent heat flux provided by the fluxes exceeding a given percentile. Finally, we consider the time durations during which fluxes of a given intensity provide extreme accumulations of heat loss from the surface. For estimation of these characteristics of surface fluxes we use fluxes recomputed from the state variables available from modern era reanalyses (ERA-Interim, MERRA and CFSR) for the period from 1979 onwards. Applications of the formalism to the VOS (Voluntary Observing Ship) - based surface fluxes are also considered. We discuss application of the new metrics of mesoscale and synoptic variability of surface fluxes to the dynamics of mixed layer depth in the North Atlantic.

Voltage-ampere characteristics of YBCO coated conductor under inhomogeneous oscillating magnetic field

NASA Astrophysics Data System (ADS)

Geng, J.; Shen, B.; Li, C.; Zhang, H.; Matsuda, K.; Li, J.; Zhang, X.; Coombs, T. A.

2016-06-01

Direct current carrying type II superconductors present a dynamic resistance when subjected to an oscillating magnetic field perpendicular to the current direction. If a superconductor is under a homogeneous field with high magnitude, the dynamic resistance value is nearly independent of transport current. Hoffmann and coworkers [Hoffmann et al., IEEE Trans. Appl. Supercond. 21, 1628 (2011)] discovered, however, flux pumping effect when a superconducting tape is under an inhomogeneous field orthogonal to the tape surface generated by rotating magnets. Following their work, we report the whole Voltage-Ampere (V-I) curves of an YBCO coated conductor under permanent magnets rotating with different frequencies and directions. We discovered that the two curves under opposite rotating directions differ from each other constantly when the transport current is less than the critical current, whereas the difference gradually reduces after the transport current exceeds the critical value. We also find that for different field frequencies, the difference between the two curves decreases faster with lower field frequency. The result indicates that the transport loss is dependent on the relative direction of the transport current and field travelling, which is distinct from traditional dynamic resistance model. The work may be instructive for the design of superconducting motors.

A coarse-grained model of microtubule self-assembly

NASA Astrophysics Data System (ADS)

Regmi, Chola; Cheng, Shengfeng

Microtubules play critical roles in cell structures and functions. They also serve as a model system to stimulate the next-generation smart, dynamic materials. A deep understanding of their self-assembly process and biomechanical properties will not only help elucidate how microtubules perform biological functions, but also lead to exciting insight on how microtubule dynamics can be altered or even controlled for specific purposes such as suppressing the division of cancer cells. Combining all-atom molecular dynamics (MD) simulations and the essential dynamics coarse-graining method, we construct a coarse-grained (CG) model of the tubulin protein, which is the building block of microtubules. In the CG model a tubulin dimer is represented as an elastic network of CG sites, the locations of which are determined by examining the protein dynamics of the tubulin and identifying the essential dynamic domains. Atomistic MD modeling is employed to directly compute the tubulin bond energies in the surface lattice of a microtubule, which are used to parameterize the interactions between CG building blocks. The CG model is then used to study the self-assembly pathways, kinetics, dynamics, and nanomechanics of microtubules.

Riverine habitat dynamics

USGS Publications Warehouse

Jacobson, R.B.

2013-01-01

The physical habitat template is a fundamental influence on riverine ecosystem structure and function. Habitat dynamics refers to the variation in habitat through space and time as the result of varying discharge and varying geomorphology. Habitat dynamics can be assessed at spatial scales ranging from the grain (the smallest resolution at which an organism relates to its environment) to the extent (the broadest resolution inclusive of all space occupied during its life cycle). In addition to a potentially broad range of spatial scales, assessments of habitat dynamics may include dynamics of both occupied and nonoccupied habitat patches because of process interactions among patches. Temporal aspects of riverine habitat dynamics can be categorized into hydrodynamics and morphodynamics. Hydrodynamics refers to habitat variation that results from changes in discharge in the absence of significant change of channel morphology and at generally low sediment-transport rates. Hydrodynamic assessments are useful in cases of relatively high flow exceedance (percent of time a flow is equaled or exceeded) or high critical shear stress, conditions that are applicable in many studies of instream flows. Morphodynamics refers to habitat variation resulting from changes to substrate conditions or channel/floodplain morphology. Morphodynamic assessments are necessary when channel and floodplain boundary conditions have been significantly changed, generally by relatively rare flood events or in rivers with low critical shear stress. Morphodynamic habitat variation can be particularly important as disturbance mechanisms that mediate population growth or for providing conditions needed for reproduction, such as channel-migration events that erode cutbanks and provide new pointbar surfaces for germination of riparian trees. Understanding of habitat dynamics is increasing in importance as societal goals shift toward restoration of riverine ecosystems. Effective investment in restoration strategies requires that the role of physical habitat is correctly diagnosed and that restoration activities address true habitat limitations, including the role of dynamic habitats.

Evaporation dynamics of a sessile droplet on glass surfaces with fluoropolymer coatings: focusing on the final stage of thin droplet evaporation.

PubMed

Gatapova, Elizaveta Ya; Shonina, Anna M; Safonov, Alexey I; Sulyaeva, Veronica S; Kabov, Oleg A

2018-03-07

The evaporation dynamics of a water droplet with an initial volume of 2 μl from glass surfaces with fluoropolymer coatings are investigated using the shadow technique and an optical microscope. The droplet profile for a contact angle of less than 5° is constructed using an image-analyzing interference technique, and evaporation dynamics are investigated at the final stage. We coated the glass slides with a thin film of a fluoropolymer by the hot-wire chemical vapor deposition method at different deposition modes depending on the deposition pressure and the temperature of the activating wire. The resulting surfaces have different structures affecting the wetting properties. Droplet evaporation from a constant contact radius mode in the early stage of evaporation was found followed by the mode where both contact angle and contact radius simultaneously vary in time (final stage) regardless of wettability of the coated surfaces. We found that depinning occurs at small contact angles of 2.2-4.7° for all samples, which are smaller than the measured receding contact angles. This is explained by imbibition of the liquid into the developed surface of the "soft" coating that leads to formation of thin droplets completely wetting the surface. The final stage, which is little discussed in the literature, is also recorded. We have singled out a substage where the contact line velocity is abruptly increasing for all coated and uncoated surfaces. The critical droplet height corresponding to the transition to this substage is about 2 μm with R/h = 107. The duration of this substage is the same for all coated and uncoated surfaces. Droplets observed at this substage for all the tested surfaces are axisymmetric. The specific evaporation rate clearly demonstrates an abrupt increase at the final substage of the droplet evaporation. The classical R 2 law is justified for the complete wetting situation where the droplet is disappearing in an axisymmetric manner.

Ab initio study of friction of graphene flake on graphene/graphite or SiC surface

NASA Astrophysics Data System (ADS)

Gulseren, Oguz; Tayran, Ceren; Sayin, Ceren Sibel

Recently, the rich dynamics of graphene flake on graphite or SiC surfaces are revealed from atomic force microcopy experiments. The studies toward to the understanding of microscopic origin of friction are getting a lot of attention. Despite the several studies of these systems using molecular dynamics methods, density functional theory based investigations are limited because of the huge system sizes. In this study, we investigated the frictional force on graphene flake on graphite or SiC surfaces from pseudopotential planewave calculations based on density functional theory. In both cases, graphene flake (24 C) on graphite or SiC surface, bilayer flake is introduced by freezing the top layer as well as the bottom layer of the surface slab. After fixing the load with these frozen layers, we checked the relative motion of the flake over the surface. A minimum energy is reached when the flake is moved on graphene to attain AB stacking. We also conclude that edge reconstruction because of the finite size of the flake is very critical for frictional properties of the flake; therefore the saturation of dangling bonds with hydrogen is also addressed. Not only the symmetric configurations remaining parameter space is extensively studied. Supported by TUBITAK Project No: 114F162. This work is supported by TUBITAK Project No: 114F162.

Numerically modeling oxide entrainment in the filling of castings: The effect of the webber number

NASA Astrophysics Data System (ADS)

Cuesta, Rafael; Delgado, Angel; Maroto, Antonio; Mozo, David

2006-11-01

In the casting of aluminum alloys and, in general, in the casting of film-forming alloys, the entrainment of oxides into the bulk liquid severely reduces the strength of the cast part. To avoid this, the melt velocity must be kept below a certain value, namely critical velocity, which is widely assumed to be 0.5 m/s. In this paper the authors investigate, by means of fluid-dynamic computer simulation, the dependence of critical veiocity on geometrical features of the running channels and thermophysical properties of the molten metal. For each of the geometries studied, once the critical velocity is exceeded, the amount of oxide entrained in the liquid is quantified. The analysis of the results reveals that surface entrainment is much more related to the non-dimensional Webber number than to melt velocity.

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface

NASA Astrophysics Data System (ADS)

He, Xiaoxia; Shen, Yan; Hung, Francisco R.; Santiso, Erik E.

2016-12-01

Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim+][Cl-] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ˜85 kcal/mol to form a critical nucleus of size ˜3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (˜49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (˜3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (˜4.8 × 1011 cm-3 s-1) is about one order of magnitude faster than the homogeneous rate (˜6.6 × 1010 cm-3 s-1). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

Heterogeneous nucleation from a supercooled ionic liquid on a carbon surface.

PubMed

He, Xiaoxia; Shen, Yan; Hung, Francisco R; Santiso, Erik E

2016-12-07

Classical molecular dynamics simulations were used to study the nucleation of the crystal phase of the ionic liquid [dmim + ][Cl - ] from its supercooled liquid phase, both in the bulk and in contact with a graphitic surface of D = 3 nm. By combining the string method in collective variables [Maragliano et al., J. Chem. Phys. 125, 024106 (2006)], with Markovian milestoning with Voronoi tessellations [Maragliano et al., J. Chem. Theory Comput. 5, 2589-2594 (2009)] and order parameters for molecular crystals [Santiso and Trout, J. Chem. Phys. 134, 064109 (2011)], we computed minimum free energy paths, the approximate size of the critical nucleus, the free energy barrier, and the rates involved in these nucleation processes. For homogeneous nucleation, the subcooled liquid phase has to overcome a free energy barrier of ∼85 kcal/mol to form a critical nucleus of size ∼3.6 nm, which then grows into the monoclinic crystal phase. This free energy barrier becomes about 42% smaller (∼49 kcal/mol) when the subcooled liquid phase is in contact with a graphitic disk, and the critical nucleus formed is about 17% smaller (∼3.0 nm) than the one observed for homogeneous nucleation. The crystal formed in the heterogeneous nucleation scenario has a structure that is similar to that of the bulk crystal, with the exception of the layers of ions next to the graphene surface, which have larger local density and the cations lie with their imidazolium rings parallel to the graphitic surface. The critical nucleus forms near the graphene surface separated only by these layers of ions. The heterogeneous nucleation rate (∼4.8 × 10 11 cm -3 s -1 ) is about one order of magnitude faster than the homogeneous rate (∼6.6 × 10 10 cm -3 s -1 ). The computed free energy barriers and nucleation rates are in reasonable agreement with experimental and simulation values obtained for the homogeneous and heterogeneous nucleation of other systems (ice, urea, Lennard-Jones spheres, and oxide glasses).

Hydraulic jumps in inhomogeneous strongly coupled toroidal dust flows

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

Piel, Alexander, E-mail: piel@physik.uni-kiel.de; Wilms, Jochen

2016-07-15

The inhomogeneous flow of strongly coupled dust particles in a toroidal particle trap with harmonic radial confinement is analyzed in the incompressible fluid limit. It is shown that the flow can spontaneously generate shock-like events, which are similar to the hydraulic jump in open channel flows. A definition of the Froude number for this model is given and the critical speed is recovered as the group velocity of surface waves. This hydraulic model is compared with molecular-dynamics simulations, which show that a sudden bifurcation of the flow lines and a localized temperature peak appear just at the point where themore » critical condition for the hydraulic jump is located.« less

A Temporospatial Map That Defines Specific Steps at Which Critical Surfaces in the Gag MA and CA Domains Act during Immature HIV-1 Capsid Assembly in Cells

PubMed Central

Robinson, Bridget A.; Reed, Jonathan C.; Geary, Clair D.; Swain, J. Victor

2014-01-01

ABSTRACT During HIV-1 assembly, Gag polypeptides target to the plasma membrane, where they multimerize to form immature capsids that undergo budding and maturation. Previous mutational analyses identified residues within the Gag matrix (MA) and capsid (CA) domains that are required for immature capsid assembly, and structural studies showed that these residues are clustered on four exposed surfaces in Gag. Exactly when and where the three critical surfaces in CA function during assembly are not known. Here, we analyzed how mutations in these four critical surfaces affect the formation and stability of assembly intermediates in cells expressing the HIV-1 provirus. The resulting temporospatial map reveals that critical MA residues act during membrane targeting, residues in the C-terminal CA subdomain (CA-CTD) dimer interface are needed for the stability of the first membrane-bound assembly intermediate, CA-CTD base residues are necessary for progression past the first membrane-bound intermediate, and residues in the N-terminal CA subdomain (CA-NTD) stabilize the last membrane-bound intermediate. Importantly, we found that all four critical surfaces act while Gag is associated with the cellular facilitators of assembly ABCE1 and DDX6. When correlated with existing structural data, our findings suggest the following model: Gag dimerizes via the CA-CTD dimer interface just before or during membrane targeting, individual CA-CTD hexamers form soon after membrane targeting, and the CA-NTD hexameric lattice forms just prior to capsid release. This model adds an important new dimension to current structural models by proposing the potential order in which key contacts within the immature capsid lattice are made during assembly in cells. IMPORTANCE While much is known about the structure of the completed HIV-1 immature capsid and domains of its component Gag proteins, less is known about the sequence of events leading to formation of the HIV-1 immature capsid. Here we used biochemical and ultrastructural analyses to generate a temporospatial map showing the precise order in which four critical surfaces in Gag act during immature capsid formation in provirus-expressing cells. Because three of these surfaces make important contacts in the hexameric lattices that are found in the completed immature capsid, these data allow us to propose a model for the sequence of events leading to formation of the hexameric lattices. By providing a dynamic view of when and where critical Gag-Gag contacts form during the assembly process and how those contacts function in the nascent capsid, our study provides novel insights into how an immature capsid is built in infected cells. PMID:24623418

Investigation of Dynamic Oxygen Adsorption in Molten Solder Jetting Technology

NASA Technical Reports Server (NTRS)

Megaridis, Constantine M.; Bellizia, Giulio; McNallan, Michael; Wallace, David B.

2003-01-01

Surface tension forces play a critical role in fluid dynamic phenomena that are important in materials processing. The surface tension of liquid metals has been shown to be very susceptible to small amounts of adsorbed oxygen. Consequently, the kinetics of oxygen adsorption can influence the capillary breakup of liquid-metal jets targeted for use in electronics assembly applications, where low-melting-point metals (such as tin-containing solders) are utilized as an attachment material for mounting of electronic components to substrates. By interpreting values of surface tension measured at various surface ages, adsorption and diffusion rates of oxygen on the surface of the melt can be estimated. This research program investigates the adsorption kinetics of oxygen on the surface of an atomizing molten-metal jet. A novel oscillating capillary jet method has been developed for the measurement of dynamic surface tension of liquids, and in particular, metal melts which are susceptible to rapid surface degradation caused by oxygen adsorption. The experimental technique captures the evolution of jet swells and necks continuously along the jet propagation axis and is used in conjunction with an existing linear, axisymmetric, constant-property model to determine the variation of the instability growth rate, and, in turn, surface tension of the liquid as a function of surface age measured from the exit orifice. The conditions investigated so far focus on a time window of 2-4ms from the jet orifice. The surface properties of the eutectic 63%Sn-37%Pb solder alloy have been investigated in terms of their variation due to O2 adsorption from a N2 atmosphere containing controlled amounts of oxygen (from 8 ppm to 1000 ppm). The method performed well for situations where the oxygen adsorption was low in that time window. The value of surface tension for the 63Sn-37Pb solder in pure nitrogen was found to be 0.49 N/m, in good agreement with previously published work. A characteristic time of O(1ms) or less was determined for the molten-metal surface to be saturated by oxygen at 1000 ppm concentration in N2.

Nucleate boiling performance on nano/microstructures with different wetting surfaces

PubMed Central

2012-01-01

A study of nucleate boiling phenomena on nano/microstructures is a very basic and useful study with a view to the potential application of modified surfaces as heating surfaces in a number of fields. We present a detailed study of boiling experiments on fabricated nano/microstructured surfaces used as heating surfaces under atmospheric conditions, employing identical nanostructures with two different wettabilities (silicon-oxidized and Teflon-coated). Consequently, enhancements of both boiling heat transfer (BHT) and critical heat flux (CHF) are demonstrated in the nano/microstructures, independent of their wettability. However, the increment of BHT and CHF on each of the different wetting surfaces depended on the wetting characteristics of heating surfaces. The effect of water penetration in the surface structures by capillary phenomena is suggested as a plausible mechanism for the enhanced CHF on the nano/microstructures regardless of the wettability of the surfaces in atmospheric condition. This is supported by comparing bubble shapes generated in actual boiling experiments and dynamic contact angles under atmospheric conditions on Teflon-coated nano/microstructured surfaces. PMID:22559173

Using the two-way shape memory effect of NiTi to control surface texture for cellular mechanotransduction

NASA Astrophysics Data System (ADS)

Liang, Yuan; Qin, Haifeng; Hou, Xiaoning; Doll, Gary L.; Ye, Chang; Dong, Yalin

2018-07-01

Mechanical force can crucially affect form and function of cells, and play critical roles in many diseases. While techniques to conveniently apply mechanical force to cells are limited, we fabricate a surface actuator prototype for cellular mechanotransduction by imparting severe plastic deformation into the surface of shape memory alloy (SMA). Using ultrasonic nanocrystal surface modification (UNSM), a deformation-based surface engineering technique with high controllability, micro surface patterns can be generated on the surface of SMA so that the micro-size cell can conform to the pattern; meanwhile, phase transformation can be induced in the subsurface by severe plastic deformation. By controlling plastic deformation and phase transformation, it is possible to establish a quantitative relation between deformation and temperature. When cells are cultured on the UNSM-treated surface, such surface can dynamically deform in response to external temperature change, and therefore apply controllable mechanical force to cells. Through this study, we demonstrate a novel way to fabricate a low-cost surface actuator that has the potential to be used for high-throughput cellular mechanotransduction.

MAGNETOHYDRODYNAMIC SIMULATION OF THE X2.2 SOLAR FLARE ON 2011 FEBRUARY 15. II. DYNAMICS CONNECTING THE SOLAR FLARE AND THE CORONAL MASS EJECTION

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

Inoue, S.; Magara, T.; Choe, G. S.

2015-04-20

We clarify a relationship between the dynamics of a solar flare and a growing coronal mass ejection (CME) by investigating the dynamics of magnetic fields during the X2.2-class flare taking place in the solar active region 11158 on 2011 February 15, based on simulation results obtained from Inoue et al. We found that the strongly twisted lines formed through tether-cutting reconnection in the twisted lines of a nonlinear force-free field can break the force balance within the magnetic field, resulting in their launch from the solar surface. We further discover that a large-scale flux tube is formed during the eruptionmore » as a result of the tether-cutting reconnection between the eruptive strongly twisted lines and these ambient weakly twisted lines. The newly formed large flux tube exceeds the critical height of the torus instability. Tether-cutting reconnection thus plays an important role in the triggering of a CME. Furthermore, we found that the tangential fields at the solar surface illustrate different phases in the formation of the flux tube and its ascending phase over the threshold of the torus instability. We will discuss these dynamics in detail.« less

Dynamic stability analysis for capillary channel flow: One-dimensional and three-dimensional computations and the equivalent steady state technique

NASA Astrophysics Data System (ADS)

Grah, Aleksander; Dreyer, Michael E.

2010-01-01

Spacecraft technology provides a series of applications for capillary channel flow. It can serve as a reliable means for positioning and transport of liquids under low gravity conditions. Basically, capillary channels provide liquid paths with one or more free surfaces. A problem may be flow instabilities leading to a collapse of the liquid surfaces. A result is undesired gas ingestion and a two phase flow which can in consequence cause several technical problems. The presented capillary channel consists of parallel plates with two free liquid surfaces. The flow rate is established by a pump at the channel outlet, creating a lower pressure within the channel. Owing to the pressure difference between the liquid phase and the ambient gas phase the free surfaces bend inwards and remain stable as long as they are able to resist the steady and unsteady pressure effects. For the numerical prediction of the flow stability two very different models are used. The one-dimensional unsteady model is mainly based on the Bernoulli equation, the continuity equation, and the Gauss-Laplace equation. For three-dimensional evaluations an open source computational fluid dynamics (CFD) tool is applied. For verifications the numerical results are compared with quasisteady and unsteady data of a sounding rocket experiment. Contrary to previous experiments this one results in a significantly longer observation sequence. Furthermore, the critical point of the steady flow instability could be approached by a quasisteady technique. As in previous experiments the comparison to the numerical model evaluation shows a very good agreement for the movement of the liquid surfaces and for the predicted flow instability. The theoretical prediction of the flow instability is related to the speed index, based on characteristic velocities of the capillary channel flow. Stable flow regimes are defined by stability criteria for steady and unsteady flow. The one-dimensional computation of the speed index is based on the technique of the equivalent steady system, which is published for the first time in the present paper. This approach assumes that for every unsteady state an equivalent steady state with a special boundary condition can be formulated. The equivalent steady state technique enables a reformulation of the equation system and an efficient and reliable speed index computation. Furthermore, the existence of the numerical singularity at the critical point of the steady flow instability, postulated in previous publication, is demonstrated in detail. The numerical singularity is related to the stability criterion for steady flow and represents the numerical consequence of the liquid surface collapse. The evaluation and generation of the pressure diagram is demonstrated in detail with a series of numerical dynamic flow studies. The stability diagram, based on one-dimensional computation, gives a detailed overview of the stable and instable flow regimes. This prediction is in good agreement with the experimentally observed critical flow conditions and results of three-dimensional CFD computations.

A nonadditive methanol force field: Bulk liquid and liquid-vapor interfacial properties via molecular dynamics simulations using a fluctuating charge model

NASA Astrophysics Data System (ADS)

Patel, Sandeep; Brooks, Charles L.

2005-01-01

We study the bulk and interfacial properties of methanol via molecular dynamics simulations using a CHARMM (Chemistry at HARvard Molecular Mechanics) fluctuating charge force field. We discuss the parametrization of the electrostatic model as part of the ongoing CHARMM development for polarizable protein force fields. The bulk liquid properties are in agreement with available experimental data and competitive with existing fixed-charge and polarizable force fields. The liquid density and vaporization enthalpy are determined to be 0.809 g/cm3 and 8.9 kcal/mol compared to the experimental values of 0.787 g/cm3 and 8.94 kcal/mol, respectively. The liquid structure as indicated by radial distribution functions is in keeping with the most recent neutron diffraction results; the force field shows a slightly more ordered liquid, necessarily arising from the enhanced condensed phase electrostatics (as evidenced by an induced liquid phase dipole moment of 0.7 D), although the average coordination with two neighboring molecules is consistent with the experimental diffraction study as well as with recent density functional molecular dynamics calculations. The predicted surface tension of 19.66±1.03 dyn/cm is slightly lower than the experimental value of 22.6 dyn/cm, but still competitive with classical force fields. The interface demonstrates the preferential molecular orientation of molecules as observed via nonlinear optical spectroscopic methods. Finally, via canonical molecular dynamics simulations, we assess the model's ability to reproduce the vapor-liquid equilibrium from 298 to 423 K, the simulation data then used to obtain estimates of the model's critical temperature and density. The model predicts a critical temperature of 470.1 K and critical density of 0.312 g/cm3 compared to the experimental values of 512.65 K and 0.279 g/cm3, respectively. The model underestimates the critical temperature by 8% and overestimates the critical density by 10%, and in this sense is roughly equivalent to the underlying fixed-charge CHARMM22 force field.

Efficient and Adaptive Methods for Computing Accurate Potential Surfaces for Quantum Nuclear Effects: Applications to Hydrogen-Transfer Reactions.

PubMed

DeGregorio, Nicole; Iyengar, Srinivasan S

2018-01-09

We present two sampling measures to gauge critical regions of potential energy surfaces. These sampling measures employ (a) the instantaneous quantum wavepacket density, an approximation to the (b) potential surface, its (c) gradients, and (d) a Shannon information theory based expression that estimates the local entropy associated with the quantum wavepacket. These four criteria together enable a directed sampling of potential surfaces that appears to correctly describe the local oscillation frequencies, or the local Nyquist frequency, of a potential surface. The sampling functions are then utilized to derive a tessellation scheme that discretizes the multidimensional space to enable efficient sampling of potential surfaces. The sampled potential surface is then combined with four different interpolation procedures, namely, (a) local Hermite curve interpolation, (b) low-pass filtered Lagrange interpolation, (c) the monomial symmetrization approximation (MSA) developed by Bowman and co-workers, and (d) a modified Shepard algorithm. The sampling procedure and the fitting schemes are used to compute (a) potential surfaces in highly anharmonic hydrogen-bonded systems and (b) study hydrogen-transfer reactions in biogenic volatile organic compounds (isoprene) where the transferring hydrogen atom is found to demonstrate critical quantum nuclear effects. In the case of isoprene, the algorithm discussed here is used to derive multidimensional potential surfaces along a hydrogen-transfer reaction path to gauge the effect of quantum-nuclear degrees of freedom on the hydrogen-transfer process. Based on the decreased computational effort, facilitated by the optimal sampling of the potential surfaces through the use of sampling functions discussed here, and the accuracy of the associated potential surfaces, we believe the method will find great utility in the study of quantum nuclear dynamics problems, of which application to hydrogen-transfer reactions and hydrogen-bonded systems is demonstrated here.

The space shuttle payload planning working groups. Volume 8: Earth and ocean physics

NASA Technical Reports Server (NTRS)

1973-01-01

The findings and recommendations of the Earth and Ocean Physics working group of the space shuttle payload planning activity are presented. The requirements for the space shuttle mission are defined as: (1) precision measurement for earth and ocean physics experiments, (2) development and demonstration of new and improved sensors and analytical techniques, (3) acquisition of surface truth data for evaluation of new measurement techniques, (4) conduct of critical experiments to validate geophysical phenomena and instrumental results, and (5) development and validation of analytical/experimental models for global ocean dynamics and solid earth dynamics/earthquake prediction. Tables of data are presented to show the flight schedule estimated costs, and the mission model.

Coagulation of particles in Saturn's rings - Measurements of the cohesive force of water frost

NASA Technical Reports Server (NTRS)

Hatzes, A. P.; Bridges, F.; Lin, D. N. C.; Sachtjen, S.

1991-01-01

Experimental data are presented on the sticking force of water ice particles which are indicative of the role that the cohesive properties of such particles could play in the dynamics of Saturn ring particles. Sticking forces are dependent on particle impact velocities; a 'Velcro' model is devised to describe the surface structure involved in sticking. The data indicate that below the critical impact velocity of about 0.03 cm/sec, particle cohesion always occurs. Due to the optical depth of micron-sized grains in the Saturn rings, particles are hypothesized to be coated with a layer of frost which will render cohesion an important ring-dynamics process.

A Dynamic Hydrology-Critical Zone Framework for Rainfall-triggered Landslide Hazard Prediction

NASA Astrophysics Data System (ADS)

Dialynas, Y. G.; Foufoula-Georgiou, E.; Dietrich, W. E.; Bras, R. L.

2017-12-01

Watershed-scale coupled hydrologic-stability models are still in their early stages, and are characterized by important limitations: (a) either they assume steady-state or quasi-dynamic watershed hydrology, or (b) they simulate landslide occurrence based on a simple one-dimensional stability criterion. Here we develop a three-dimensional landslide prediction framework, based on a coupled hydrologic-slope stability model and incorporation of the influence of deep critical zone processes (i.e., flow through weathered bedrock and exfiltration to the colluvium) for more accurate prediction of the timing, location, and extent of landslides. Specifically, a watershed-scale slope stability model that systematically accounts for the contribution of driving and resisting forces in three-dimensional hillslope segments was coupled with a spatially-explicit and physically-based hydrologic model. The landslide prediction framework considers critical zone processes and structure, and explicitly accounts for the spatial heterogeneity of surface and subsurface properties that control slope stability, including soil and weathered bedrock hydrological and mechanical characteristics, vegetation, and slope morphology. To test performance, the model was applied in landslide-prone sites in the US, the hydrology of which has been extensively studied. Results showed that both rainfall infiltration in the soil and groundwater exfiltration exert a strong control on the timing and magnitude of landslide occurrence. We demonstrate the extent to which three-dimensional slope destabilizing factors, which are modulated by dynamic hydrologic conditions in the soil-bedrock column, control landslide initiation at the watershed scale.

ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures

NASA Astrophysics Data System (ADS)

Sengul, Mert Y.; Randall, Clive A.; van Duin, Adri C. T.

2018-04-01

The intermolecular structure formation in liquid and supercritical acetic acid-water mixtures was investigated using ReaxFF-based molecular dynamics simulations. The microscopic structures of acetic acid-water mixtures with different acetic acid mole fractions (1.0 ≥ xHAc ≥ 0.2) at ambient and critical conditions were examined. The potential energy surface associated with the dissociation of acetic acid molecules was calculated using a metadynamics procedure to optimize the dissociation energy of ReaxFF potential. At ambient conditions, depending on the acetic acid concentration, either acetic acid clusters or water clusters are dominant in the liquid mixture. When acetic acid is dominant (0.4 ≤ xHAc), cyclic dimers and chain structures between acetic acid molecules are present in the mixture. Both structures disappear at increased water content of the mixture. It was found by simulations that the acetic acid molecules released from these dimer and chain structures tend to stay in a dipole-dipole interaction. These structural changes are in agreement with the experimental results. When switched to critical conditions, the long-range interactions (e.g., second or fourth neighbor) disappear and the water-water and acetic acid-acetic acid structural formations become disordered. The simulated radial distribution function for water-water interactions is in agreement with experimental and computational studies. The first neighbor interactions between acetic acid and water molecules are preserved at relatively lower temperatures of the critical region. As higher temperatures are reached in the critical region, these interactions were observed to weaken. These simulations indicate that ReaxFF molecular dynamics simulations are an appropriate tool for studying supercritical water/organic acid mixtures.

Characterization of chemical interactions during chemical mechanical polishing (CMP) of copper

NASA Astrophysics Data System (ADS)

Lee, Seung-Mahn

2003-10-01

Chemical mechanical polishing (CMP) has received much attention as an unique technique to provide a wafer level planarization in semiconductor manufacturing. However, despite the extensive use of CMP, it still remains one of the least understood areas in semiconductor processing. The lack of the fundamental understanding is a significant barrier to further advancements in CMP technology. One critical aspect of metal CMP is the formation of a thin surface layer on the metal surface. The formation and removal of this layer controls all the aspects of the CMP process, including removal rate, surface finish, etc. In this dissertation, we focus on the characterization of the formation and removal of the thin surface layer on the copper surface. The formation dynamics was investigated using static and dynamic electrochemical techniques, including potentiodynamic scans and chronoamperometry. The results were validated using XPS measurements. The mechanical properties of the surface layer were investigated using nanoindentation measurements. The electrochemical investigation showed that the thickness of the surface layer is controlled by the chemicals such as an oxidizer (hydrogen peroxide), a corrosion inhibitor (benzotriazole), a complexing agent (citric acid), and their concentrations. The dynamic electrochemical measurements indicated that the initial layer formation kinetics is unaffected by the corrosion inhibitors. The passivation due to the corrosion inhibitor becomes important only on large time scales (>200 millisecond). The porosity and the density of the chemically modified surface layer can be affected by additives of other chemicals such as citric acid. An optimum density of the surface layer is required for high polishing rate while at the same time maintaining a high degree of surface finish. Nanoindentation measurements indicated that the mechanical properties of the surface layer are strongly dependent on the chemical additives in the slurry. The CMP removal rates were found to be in good agreement with the initial reaction kinetics as well as the mechanical properties of the chemically modified surface layer. In addition, the material removal model based on the micro- and nano-scale interactions, which were measured experimentally, has been developed.

Proton relays in anomalous carbocations dictate spectroscopy, stability, and mechanisms: case studies on C2H5+ and C3H3.

PubMed

Sager, LeeAnn M; Iyengar, Srinivasan S

2017-10-18

We present a detailed analysis of the anomalous carbocations: C 2 H 5 + and C 3 H 3 + . This work involves (a) probing electronic structural properties, (b) ab initio dynamics simulations over a range of internal energies, (c) analysis of reduced dimensional potential surfaces directed along selected conformational transition pathways, (d) dynamically averaged vibrational spectra computed from ab initio dynamics trajectories, and (e) two-dimensional time-frequency analysis to probe conformational dynamics. Key findings are as follows: (i) as noted in our previous study on C 2 H 3 + , it appears that these non-classical carbocations are stabilized by delocalized nuclear frameworks and "proton shuttles". We analyze this nuclear delocalization and find critical parallels between conformational changes in C 2 H 3 + , C 2 H 5 + , and C 3 H 3 + . (ii) The vibrational signatures of C 2 H 5 + are dominated by the "bridge-proton" conformation, but also show critical contributions from the "classical" configuration, which is a transition state at almost all levels of theory. This result is further substantiated through two-dimensional time-frequency analysis and is at odds with earlier explanations of the experimental spectra, where frequencies close to the classical region were thought to arise from an impurity. While this is still possible, our results here indicate an additional (perhaps more likely) explanation that involves the "classical" isomer. (iii) Finally, in the case of C 3 H 3 + our explanation of the experimental result includes the presence of multiple, namely, "cyclic", "straight", and propargyl, configurations. Proton shuttles and nuclear delocalization, reminiscent of those seen in the case of C 2 H 3 + , were seen all through and have a critical role in all our observations.

Finite element solution of low bond number sloshing

NASA Technical Reports Server (NTRS)

Wohlen, R. L.; Park, A. C.; Warner, D. M.

1975-01-01

The dynamics of liquid propellant in a low Bond number environment which are critical to the design of spacecraft systems with respect to orbital propellant transfer and attitude control system were investigated. Digital computer programs were developed for the determination of liquid free surface equilibrium shape, lateral slosh natural vibration mode shapes, and frequencies for a liquid in a container of arbitrary axisymmetric shape with surface tension forces the same order of magnitude as acceleration forces. A finite volume element representation of the liquid was used for the vibration analysis. The liquid free surface equilibrium shapes were computed for several tanks at various contact angles and ullage volumes. A configuration was selected for vibration analysis and lateral slosh mode shapes and natural frequencies were obtained. Results are documented.

Bifurcation from stable holes to replicating holes in vibrated dense suspensions.

PubMed

Ebata, H; Sano, M

2013-11-01

In vertically vibrated starch suspensions, we observe bifurcations from stable holes to replicating holes. Above a certain acceleration, finite-amplitude deformations of the vibrated surface continue to grow until void penetrates fluid layers, and a hole forms. We studied experimentally and theoretically the parameter dependence of the holes and their stabilities. In suspensions of small dispersed particles, the circular shapes of the holes are stable. However, we find that larger particles or lower surface tension of water destabilize the circular shapes; this indicates the importance of capillary forces acting on the dispersed particles. Around the critical acceleration for bifurcation, holes show intermittent large deformations as a precursor to hole replication. We applied a phenomenological model for deformable domains, which is used in reaction-diffusion systems. The model can explain the basic dynamics of the holes, such as intermittent behavior, probability distribution functions of deformation, and time intervals of replication. Results from the phenomenological model match the linear growth rate below criticality that was estimated from experimental data.

A note on ``critical roughness height'' and ``transitional roughness''

NASA Astrophysics Data System (ADS)

Bradshaw, P.

2000-06-01

An unrigorous but plausible analysis suggests that the concept of a critical roughness height, below which roughness does not affect a turbulent wall flow, is erroneous. The Oseen approximation implies that the effect of roughness on the additive constant in the logarithmic law of the wall should vary as the square of the roughness Reynolds number (specifically the roughness height in "wall units"). This is an important point in determining whether surfaces used in experiments at high unit Reynolds number can be regarded as hydraulically smooth. Attention is also called to the qualitative difference between Nikuradse's measurements of friction factor in pipe flow with uniform-size sand-grain roughness in the "transitional" range of Reynolds number and the data correlation in the Moody chart of 1944; the latter was derived from tests on miscellaneous real-life rough surfaces in the 1930s. Nearly all textbooks on elementary fluid dynamics present, but practically none discuss, this difference. Nikuradse's monodisperse roughness is a very rare case with untypical behavior in the transitional range.

Tracking Subpixel Targets with Critically Sampled Optical Sensors

DTIC Science & Technology

2012-09-01

5 [32]. The Viterbi algorithm is a dynamic programming method for calculating the MAP in O(tn2) time . The most common use of this algorithm is in the... method to detect subpixel point targets using the sensor’s PSF as an identifying characteristic. Using matched filtering theory, a measure is defined to...ocean surface beneath the cloud will have a different distribution. While the basic methods will adapt to changes in cloud cover over time , it is also

Direct Determination of Site-Specific Noncovalent Interaction Strengths of Proteins from NMR-Derived Fast Side Chain Motional Parameters.

PubMed

Rajeshwar T, Rajitha; Krishnan, Marimuthu

2017-05-25

A novel approach to accurately determine residue-specific noncovalent interaction strengths (ξ) of proteins from NMR-measured fast side chain motional parameters (O axis 2 ) is presented. By probing the environmental sensitivity of side chain conformational energy surfaces of individual residues of a diverse set of proteins, the microscopic connections between ξ, O axis 2 , conformational entropy (S conf ), conformational barriers, and rotamer stabilities established here are found to be universal among proteins. The results reveal that side chain flexibility and conformational entropy of each residue decrease with increasing ξ and that for each residue type there exists a critical range of ξ, determined primarily by the mean side chain conformational barriers, within which flexibility of any residue can be reversibly tuned from highly flexible (with O axis 2 ∼ 0) to highly restricted (with O axis 2 ∼ 1) by increasing ξ by ∼3 kcal/mol. Beyond this critical range of ξ, both side chain flexibility and conformational entropy are insensitive to ξ. The interrelationships between conformational dynamics, conformational entropy, and noncovalent interactions of protein side chains established here open up new avenues to probe perturbation-induced (for example, ligand-binding, temperature, pressure) changes in fast side chain dynamics and thermodynamics of proteins by comparing their conformational energy surfaces in the native and perturbed states.

Condensation Dynamics on Mimicked Metal Matrix Hydrophobic Nanoparticle-Composites

NASA Astrophysics Data System (ADS)

Damle, Viraj; Sun, Xiaoda; Rykaczewski, Konrad

2014-11-01

Use of hydrophobic surfaces promotes condensation in the dropwise mode, which is significantly more efficient than the common filmwise mode. However, limited longevity of hydrophobic surface modifiers has prevented their wide spread use in industry. Recently, metal matrix composites (MMCs) having microscale hydrophobic heterogeneities dispersed in hydrophilic metal matrix have been proposed as durable and self-healing alternative to hydrophobic surface coatings interacting with deposited water droplets. While dispersion of hydrophobic microparticles in MMC is likely to lead to surface flooding during condensation, the effect of dispersion of hydrophobic nanoparticles (HNPs) with size comparable to water nuclei critical radii and spacing is not obvious. To this end, we fabricated highly ordered arrays of Teflon nanospheres on silicon substrates that mimic the top surface of the MMCs with dispersed HNPs. We used light and electron microscopy to observe breath figures resulting from condensation on these surfaces at varied degrees of subcooling. Here, we discuss the relation between the droplet size distribution, Teflon nanosphere diameter and spacing, and condensation mode. KR acknowledges startup funding from ASU.

Dynamics of vortex penetration, jumpwise instabilities, and nonlinear surface resistance of type-II superconductors in strong rf fields

NASA Astrophysics Data System (ADS)

Gurevich, A.; Ciovati, G.

2008-03-01

We consider the nonlinear dynamics of a single vortex in a superconductor in a strong rf magnetic field B0sinωt . Using the London theory, we calculate the dissipated power Q(B0,ω) and the transient time scales of vortex motion. For the linear Bardeen-Stephen viscous drag force, vortex velocities reach unphysically high values during vortex penetration through the oscillating surface barrier. It is shown that penetration of a single vortex through the ac surface barrier always involves penetration of an antivortex and the subsequent annihilation of the vortex-antivortex pairs. Using the nonlinear Larkin-Ovchinnikov (LO) viscous drag force at higher vortex velocities v(t) results in a jumpwise vortex penetration through the surface barrier and a significant increase of the dissipated power. We calculate the effect of dissipation on the nonlinear vortex viscosity η(v) and the rf vortex dynamics and show that it can also result in the LO-type behavior, instabilities, and thermal localization of penetrating vortex channels. We propose a thermal feedback model of η(v) , which not only results in the LO dependence of η(v) for a steady-state motion, but also takes into account retardation of the temperature field around a rapidly accelerating vortex and a long-range interaction with the surface. We also address the effect of pinning on the nonlinear rf vortex dynamics and the effect of trapped magnetic flux on the surface resistance Rs calculated as a function of rf frequency and field. It is shown that trapped flux can result in a temperature-independent residual resistance Ri at low T and a hysteretic low-field dependence of Ri(B0) , which can decrease as B0 is increased, reaching a minimum at B0 much smaller than the thermodynamic critical field Bc . We propose that cycling of the rf field can reduce Ri due to rf annealing of the magnetic flux which is pumped out by the rf field from a thin surface layer of the order of the London penetration depth.

Dual aging behaviour in a clay-polymer dispersion.

PubMed

Zulian, Laura; Augusto de Melo Marques, Flavio; Emilitri, Elisa; Ruocco, Giancarlo; Ruzicka, Barbara

2014-07-07

Clay-polymer compounds have recently attracted increasing attention due to their intriguing physical properties in colloidal science and their rheological non-trivial behaviour in technological applications. Aqueous solutions of Laponite clay spontaneously age from a liquid up to an arrested state of different nature (gel or glass) depending on the colloidal volume fraction and ionic strength. We have investigated, through dynamic light scattering, how the aging dynamics of Laponite dispersions at fixed clay concentration (Cw = 2.0%) is modified by the addition of various amounts of poly(ethylene oxide) (PEO) (CPEO = (0.05 ÷ 0.50) %) at two different molecular weights (Mw = 100 kg mol(-1) and Mw = 200 kg mol(-1)). A surprising and intriguing phenomenon has been observed: the existence of a critical polymer concentration C that discriminates between two different aging dynamics. With respect to pure Laponite systems the aging will be assisted (faster) or hindered (slower) for PEO concentrations respectively lower (CPEO < C) or higher (CPEO > C) than the critical concentration. In this way a control on the aging dynamics of PEO-Laponite systems is obtained. A possible explanation based on the balance of competitive mechanisms related to the progressive saturation of the clay surface by polymers is proposed. This study shows how a real control on the aging speed of the PEO-Laponite system is at hand and renders possible a real control of the complex interparticle interaction potential.

Structure and dynamics of protein waters revealed by radiolysis and mass spectrometry

PubMed Central

Gupta, Sayan; D’Mello, Rhijuta; Chance, Mark R.

2012-01-01

Water is critical for the structure, stability, and functions of macromolecules. Diffraction and NMR studies have revealed structure and dynamics of bound waters at atomic resolution. However, localizing the sites and measuring the dynamics of bound waters, particularly on timescales relevant to catalysis and macromolecular assembly, is quite challenging. Here we demonstrate two techniques: first, temperature-dependent radiolytic hydroxyl radical labeling with a mass spectrometry (MS)-based readout to identify sites of bulk and bound water interactions with surface and internal residue side chains, and second, H218O radiolytic exchange coupled MS to measure the millisecond dynamics of bound water interactions with various internal residue side chains. Through an application of the methods to cytochrome c and ubiquitin, we identify sites of water binding and measure the millisecond dynamics of bound waters in protein crevices. As these MS-based techniques are very sensitive and not protein size limited, they promise to provide unique insights into protein–water interactions and water dynamics for both small and large proteins and their complexes. PMID:22927377

Variable Structure Control of a Hand-Launched Glider

NASA Technical Reports Server (NTRS)

Anderson, Mark R.; Waszak, Martin R.

2005-01-01

Variable structure control system design methods are applied to the problem of aircraft spin recovery. A variable structure control law typically has two phases of operation. The reaching mode phase uses a nonlinear relay control strategy to drive the system trajectory to a pre-defined switching surface within the motion state space. The sliding mode phase involves motion along the surface as the system moves toward an equilibrium or critical point. Analysis results presented in this paper reveal that the conventional method for spin recovery can be interpreted as a variable structure controller with a switching surface defined at zero yaw rate. Application of Lyapunov stability methods show that deflecting the ailerons in the direction of the spin helps to insure that this switching surface is stable. Flight test results, obtained using an instrumented hand-launched glider, are used to verify stability of the reaching mode dynamics.

Nanodroplet impact onto solid platinum surface: Spreading and bouncing

NASA Astrophysics Data System (ADS)

Lussier, Daniel; Ventikos, Yiannis

2009-11-01

The impact of droplets onto solid surfaces is found in a huge variety of natural and technological applications, from rain drops splashing on the pavement, to material manufacturing by molten droplet deposition. Taking inspiration from existing microfluidic technologies (i.e. lab-on-chip), there is increasing interest in the use of nanodroplets (D < 100 nm) for a number of applications such as drug delivery and semiconductor device manufacturing. However, as the size of the droplet is reduced into the nanoscale, the direct use of previously obtained macroscopic results is not guaranteed. At the nanoscale, important effects due to the molecular nature of the fluid, thermal fluctuations and reduced dimensionality can play a critical role in determining system dynamics. In this paper we present the results of large-scale, fully atomistic, three-dimensional molecular dynamics (MD) simulation of an argon nanodroplet (D = 18 nm, 54 000 atoms) impact onto a solid platinum surface, using the LAMMPS software package. The fluid argon is modeled using the well-known Lennard-Jones (LJ) potential, while the embedded-atom model (EAM) potential is used for the solid platinum. By varying both the impact velocities (10-1000 m/s) and the wettability of the solid surface a wide range of impact behaviors is observed, from smooth spreading, to bouncing recoil, pointing towards a wide array of potential applications.

Dynamic analysis of a hollow cylinder subject to a dual traveling force imposed on its inner surface

NASA Astrophysics Data System (ADS)

Lee, Sooyoung; Seok, Jongwon

2015-03-01

The dynamic behavior of a hollow cylinder under a dual traveling force applied to the inner surface is investigated in this study. The cylinder is constrained at both the top and bottom surfaces not to move in the length direction but free in other directions. And a dual force travels at a constant velocity along the length direction on the inner surface of the hollow cylinder. The resulting governing field equations and the associated boundary conditions are ruled by the general Hooke's law. Due to the nature of the field equations, proper adjoint system of equations and biorthogonality conditions were derived in a precise and detailed manner. To solve these field equations in this study, the method of separation of variable is used and the method of Fro¨benius is employed for the differential equations in the radial direction. Using the field equations, the eigenanalyses on both the original and its adjoint system were performed with great care, which results in the eigenfunction sets of both systems. The biorthogonality conditions were applied to the field equations to obtain the discretized equation for each mode. Using the solutions of the discretized equations that account for the boundary forcing terms, the critical speed for a dual traveling force for each mode could be computed.

Marangoni-induced symmetry-breaking pattern selection on viscous fluids

NASA Astrophysics Data System (ADS)

Shen, Li; Denner, Fabian; Morgan, Neal; van Wachem, Berend; Dini, Daniele

2016-11-01

Symmetry breaking transitions on curved surfaces are found in a wide range of dissipative systems, ranging from asymmetric cell divisions to structure formation in thin films. Inherent within the nonlinearities are the associated curvilinear geometry, the elastic stretching, bending and the various fluid dynamical processes. We present a generalised Swift-Hohenberg pattern selection theory on a thin, curved and viscous films in the presence of non-trivial Marangoni effect. Testing the theory with experiments on soap bubbles, we observe the film pattern selection to mimic that of the elastic wrinkling morphology on a curved elastic bilayer in regions of slow viscous flow. By examining the local state of damping of surface capillary waves we attempt to establish an equivalence between the Marangoni fluid dynamics and the nonlinear elastic shell theory above the critical wavenumber of the instabilities and propose a possible explanation for the perceived elastic-fluidic duality. The authors acknowledge the financial support of the Shell University Technology Centre for fuels and lubricants.

Nanoscale deicing by molecular dynamics simulation.

PubMed

Xiao, Senbo; He, Jianying; Zhang, Zhiliang

2016-08-14

Deicing is important to human activities in low-temperature circumstances, and is critical for combating the damage caused by excessive accumulation of ice. The aim of creating anti-icing materials, surfaces and applications relies on the understanding of fundamental nanoscale ice adhesion mechanics. Here in this study, we employ all-atom modeling and molecular dynamics simulation to investigate ice adhesion. We apply force to detach and shear nano-sized ice cubes for probing the determinants of atomistic adhesion mechanics, and at the same time investigate the mechanical effect of a sandwiched aqueous water layer between ice and substrates. We observe that high interfacial energy restricts ice mobility and increases both ice detaching and shearing stresses. We quantify up to a 60% decrease in ice adhesion strength by an aqueous water layer, and provide atomistic details that support previous experimental studies. Our results contribute quantitative comparison of nanoscale adhesion strength of ice on hydrophobic and hydrophilic surfaces, and supply for the first time theoretical references for understanding the mechanics at the atomistic origins of macroscale ice adhesion.

CONSERVB: A numerical method to compute soil water content and temperature profiles under a bare surface

NASA Technical Reports Server (NTRS)

Vanbavel, C. H. M.; Lascano, R. J.

1982-01-01

A comprehensive, yet fairly simple model of water disposition in a bare soil profile under the sequential impact of rain storms and other atmospheric influences, as they occur from hour to hour is presented. This model is intended mostly to support field studies of soil moisture dynamics by our current team, to serve as a background for the microwave measurements, and, eventually, to serve as a point of departure for soil moisture predictions for estimates based in part upon airborne measurements. The main distinction of the current model is that it accounts not only for the moisture flow in the soil-atmosphere system, but also for the energy flow and, hence, calculates system temperatures. Also, the model is of a dynamic nature, capable of supporting any required degree of resolution in time and space. Much critical testing of the sample is needed before the complexities of the hydrology of a vegetated surface can be related meaningfully to microwave observations.

Design, test, and evaluation of three active flutter suppression controllers

NASA Technical Reports Server (NTRS)

Adams, William M., Jr.; Christhilf, David M.; Waszak, Martin R.; Mukhopadhyay, Vivek; Srinathkumar, S.

1992-01-01

Three control law design techniques for flutter suppression are presented. Each technique uses multiple control surfaces and/or sensors. The first method uses traditional tools (such as pole/zero loci and Nyquist diagrams) for producing a controller that has minimal complexity and which is sufficiently robust to handle plant uncertainty. The second procedure uses linear combinations of several accelerometer signals and dynamic compensation to synthesize the model rate of the critical mode for feedback to the distributed control surfaces. The third technique starts with a minimum-energy linear quadratic Gaussian controller, iteratively modifies intensity matrices corresponding to input and output noise, and applies controller order reduction to achieve a low-order, robust controller. The resulting designs were implemented digitally and tested subsonically on the active flexible wing wind-tunnel model in the Langley Transonic Dynamics Tunnel. Only the traditional pole/zero loci design was sufficiently robust to errors in the nominal plant to successfully suppress flutter during the test. The traditional pole/zero loci design provided simultaneous suppression of symmetric and antisymmetric flutter with a 24-percent increase in attainable dynamic pressure. Posttest analyses are shown which illustrate the problems encountered with the other laws.

Experimental and analytical transonic flutter characteristics of a geared-elevator configuration

NASA Technical Reports Server (NTRS)

Ruhlin, C. L.; Doggett, R. V., Jr.; Gregory, R. A.

1980-01-01

The flutter model represented the aft fuselage and empennage of a proposed supersonic transport airplane and had an all movable horizontal tail with a geared elevator. It was tested mounted from a sting in the transonic dynamics tunnel. Symmetric flutter boundaries were determined experimentally at Mach numbers from 0.7 to 1.14 for a geared elevator configuration (gear ratio of 2.8 to 1.0) and an ungeared elevator configuration (gear ratio of 1.0 to 1.0). Gearing the elevator increased the experimental flutter dynamic pressures about 20 percent. Flutter calculations were made for the geared elevator configuration by using two analytical methods based on subsonic lifting surface theory. Both methods analyzed the stabilizer and elevator as a single, deforming surface, but one method also allowed the elevator to be analyzed as hinged from the stabilizer. All analyses predicted lower flutter dynamic pressures than experiment with best agreement (within 12 percent) for the hinged elevator method. Considering the model as mounted from a flexible rather than rigid sting in the analyses, had only a slight effect on the flutter results but was significant in that a sting related vibration mode was identified as a potentially flutter critical mode.

Drop impact on liquid film: dynamics of interfacial gas layer

NASA Astrophysics Data System (ADS)

Tang, Xiaoyu; Saha, Abhishek; Law, Chung K.; Sun, Chao

2016-11-01

Drop impacting liquid film is commonly observed in many processes including inkjet printing and thermal sprays. Owing to the resistance from the interfacial gas layer trapped between the drop and film surface, impact may not always result in coalescence; and as such investigating the behavior of the interfacial gas layer is important to understand the transition between bouncing and merging outcomes. The gas layer is, however, not easily optically accessible due to its microscopic scale and curved interfaces. We report the measurement of this critical gas layer thickness between two liquid surfaces using high-speed color interferometry capable of measuring micron and submicron thicknesses. The complete gas layer dynamics for the bouncing cases can be divided into two stages: the approaching stage when the drop squeezes the gas layer at the beginning of the impact, and the rebounding stage when the drop retracts and rebounds from the liquid film. The approaching stage is found to be similar across wide range of conditions studied. However, for the rebounding stage, with increase of liquid film thickness, the evolution of gas layer changes dramatically, displaying a non-monotonic behavior. Such dynamics is analyzed in lights of various competing timescales.

Laboratory investigation of surface processes on airless bodies due to electrostatic dust mobilization

NASA Astrophysics Data System (ADS)

Wang, X.; Hood, N.; Schwan, J.; Hsu, H. W.; Horanyi, M.

2017-12-01

Electrostatic dust mobilization on the surfaces of airless bodies due to direct exposure to solar wind and solar ultraviolet (UV) radiation has been suggested from a number of unusual planetary observations and supported by our recent laboratory experiments. This electrostatic process may have a significant contribution in the evolution of these surfaces in addition to other surface processes, e.g., thermal fragmentation. The critical questions are how this process changes the surface physical characteristics and how efficient this process can be. We report new laboratory experiments that record dust activities as function of the incoming fluxes of photons or energetic electrons over a long exposure time under Earth gravity. Dust is observed to hop and move on the surface, causing the significant change in surface morphology and becoming smoother over time. Our results indicate that the dynamics of dust mobilization may be complicated by temporal charging effect as dust moves. Various sizes and types of dust are examined, showing large effects on dust mobilization. These laboratory data will help us to predict the electrostatic surface processes and estimate their timescales in space conditions.

A mobile precursor determines protein resistance on nanostructured surfaces.

PubMed

Wang, Kang; Chen, Ye; Gong, Xiangjun; Xia, Jianlong; Zhao, Junpeng; Shen, Lei

2018-05-09

Biomaterials are often engineered with nanostructured surfaces to control interactions with proteins and thus regulate their biofunctions. However, the mechanism of how nanostructured surfaces resist or attract proteins together with the underlying design rules remains poorly understood at a molecular level, greatly limiting attempts to develop high-performance biomaterials and devices through the rational design of nanostructures. Here, we study the dynamics of nonspecific protein adsorption on block copolymer nanostructures of varying adhesive domain areas in a resistant matrix. Using surface plasmon resonance and single molecule tracking techniques, we show that weakly adsorbed proteins with two-dimensional diffusivity are critical precursors to protein resistance on nanostructured surfaces. The adhesive domain areas must be more than tens or hundreds of times those of the protein footprints to slow down the 2D-mobility of the precursor proteins for their irreversible adsorption. This precursor model can be used to quantitatively analyze the kinetics of nonspecific protein adsorption on nanostructured surfaces. Our method is applicable to precisely manipulate protein adsorption and resistance on various nanostructured surfaces, e.g., amphiphilic, low-surface-energy, and charged nanostructures, for the design of protein-compatible materials.

Simulation of Surface Energy Fluxes and Snow Interception Using a Higher Order Closure Multi-Layer Soil-Vegetation-Atmospheric Model: The Effect of Canopy Shape and Structure

NASA Astrophysics Data System (ADS)

McGowan, L. E.; Dahlke, H. E.; Paw U, K. T.

2015-12-01

Snow cover is a critical driver of the Earth's surface energy budget, climate change, and water resources. Variations in snow cover not only affect the energy budget of the land surface but also represent a major water supply source. In California, US estimates of snow depth, extent, and melt in the Sierra Nevada are critical to estimating the amount of water available for both California agriculture and urban users. However, accurate estimates of snow cover and snow melt processes in forested area still remain a challenge. Canopy structure influences the vertical and spatiotemporal distribution of snow, and therefore ultimately determines the degree and extent by which snow alters both the surface energy balance and water availability in forested regions. In this study we use the Advanced Canopy-Atmosphere-Soil algorithm (ACASA), a multi-layer soil-vegetation-atmosphere numerical model, to simulate the effect of different snow-covered canopy structures on the energy budget, and temperature and other scalar profiles within different forest types in the Sierra Nevada, California. ACASA incorporates a higher order turbulence closure scheme which allows the detailed simulation of turbulent fluxes of heat and water vapor as well as the CO2 exchange of several layers within the canopy. As such ACASA can capture the counter gradient fluxes within canopies that may occur frequently, but are typically unaccounted for, in most snow hydrology models. Six different canopy types were modeled ranging from coniferous forests (e.g. most biomass near the ground) to top-heavy (e.g. most biomass near the top of the crown) deciduous forests to multi-layered forest canopies (e.g. mixture of young and mature trees). Preliminary results indicate that the canopy shape and structure associated with different canopy types fundamentally influence the vertical scalar profiles (including those of temperature, moisture, and wind speed) in the canopy and thus alter the interception and snow melt dynamics in forested land surfaces. The turbulent transport dynamics, including counter-gradient fluxes, and radiation features including land surface albedo, are discussed in the context of the snow energy balance.

Engineering Surface Critical Behavior of (2 +1 )-Dimensional O(3) Quantum Critical Points

NASA Astrophysics Data System (ADS)

Ding, Chengxiang; Zhang, Long; Guo, Wenan

2018-06-01

Surface critical behavior (SCB) refers to the singularities of physical quantities on the surface at the bulk phase transition. It is closely related to and even richer than the bulk critical behavior. In this work, we show that three types of SCB universality are realized in the dimerized Heisenberg models at the (2 +1 )-dimensional O(3) quantum critical points by engineering the surface configurations. The ordinary transition happens if the surface is gapped in the bulk disordered phase, while the gapless surface state generally leads to the multicritical special transition, even though the latter is precluded in classical phase transitions because the surface is in the lower critical dimension. An extraordinary transition is induced by the ferrimagnetic order on the surface of the staggered Heisenberg model, in which the surface critical exponents violate the results of the scaling theory and thus seriously challenge our current understanding of extraordinary transitions.

The dynamics and stability of lubricating oil films during droplet transport by electrowetting in microfluidic devices.

PubMed

Kleinert, Jairus; Srinivasan, Vijay; Rival, Arnaud; Delattre, Cyril; Velev, Orlin D; Pamula, Vamsee K

2015-05-01

The operation of digital microfluidic devices with water droplets manipulated by electrowetting is critically dependent on the static and dynamic stability and lubrication properties of the oil films that separate the droplets from the solid surfaces. The factors determining the stability of the films and preventing surface fouling in such systems are not yet thoroughly understood and were experimentally investigated in this study. The experiments were performed using a standard digital microfluidic cartridge in which water droplets enclosed in a thin, oil-filled gap were transported over an array of electrodes. Stable, continuous oil films separated the droplets from the surfaces when the droplets were stationary. During droplet transport, capillary waves formed in the films on the electrode surfaces as the oil menisci receded. The waves evolved into dome-shaped oil lenses. Droplet deformation and oil displacement caused the films at the surface opposite the electrode array to transform into dimples of oil trapped over the centers of the droplets. Lower actuation voltages were associated with slower film thinning and formation of fewer, but larger, oil lenses. Lower ac frequencies induced oscillations in the droplets that caused the films to rupture. Films were also destabilized by addition of surfactants to the oil or droplet phases. Such a comprehensive understanding of the oil film behavior will enable more robust electrowetting-actuated lab-on-a-chip devices through prevention of loss of species from droplets and contamination of surfaces at points where films may break.

The dynamics and stability of lubricating oil films during droplet transport by electrowetting in microfluidic devices

PubMed Central

Kleinert, Jairus; Srinivasan, Vijay; Rival, Arnaud; Delattre, Cyril; Velev, Orlin D.; Pamula, Vamsee K.

2015-01-01

The operation of digital microfluidic devices with water droplets manipulated by electrowetting is critically dependent on the static and dynamic stability and lubrication properties of the oil films that separate the droplets from the solid surfaces. The factors determining the stability of the films and preventing surface fouling in such systems are not yet thoroughly understood and were experimentally investigated in this study. The experiments were performed using a standard digital microfluidic cartridge in which water droplets enclosed in a thin, oil-filled gap were transported over an array of electrodes. Stable, continuous oil films separated the droplets from the surfaces when the droplets were stationary. During droplet transport, capillary waves formed in the films on the electrode surfaces as the oil menisci receded. The waves evolved into dome-shaped oil lenses. Droplet deformation and oil displacement caused the films at the surface opposite the electrode array to transform into dimples of oil trapped over the centers of the droplets. Lower actuation voltages were associated with slower film thinning and formation of fewer, but larger, oil lenses. Lower ac frequencies induced oscillations in the droplets that caused the films to rupture. Films were also destabilized by addition of surfactants to the oil or droplet phases. Such a comprehensive understanding of the oil film behavior will enable more robust electrowetting-actuated lab-on-a-chip devices through prevention of loss of species from droplets and contamination of surfaces at points where films may break. PMID:26045729

Toggling Bistable Atoms via Mechanical Switching of Bond Angle

NASA Astrophysics Data System (ADS)

Sweetman, Adam; Jarvis, Sam; Danza, Rosanna; Bamidele, Joseph; Gangopadhyay, Subhashis; Shaw, Gordon A.; Kantorovich, Lev; Moriarty, Philip

2011-04-01

We reversibly switch the state of a bistable atom by direct mechanical manipulation of bond angle using a dynamic force microscope. Individual buckled dimers at the Si(100) surface are flipped via the formation of a single covalent bond, actuating the smallest conceivable in-plane toggle switch (two atoms) via chemical force alone. The response of a given dimer to a flip event depends critically on both the local and nonlocal environment of the target atom—an important consideration for future atomic scale fabrication strategies.

Surface Damage Mechanism of Monocrystalline Si Under Mechanical Loading

NASA Astrophysics Data System (ADS)

Zhao, Qingliang; Zhang, Quanli; To, Suet; Guo, Bing

2017-03-01

Single-point diamond scratching and nanoindentation on monocrystalline silicon wafer were performed to investigate the surface damage mechanism of Si under the contact loading. The results showed that three typical stages of material removal appeared during dynamic scratching, and a chemical reaction of Si with the diamond indenter and oxygen occurred under the high temperature. In addition, the Raman spectra of the various points in the scratching groove indicated that the Si-I to β-Sn structure (Si-II) and the following β-Sn structure (Si-II) to amorphous Si transformation appeared under the rapid loading/unloading condition of the diamond grit, and the volume change induced by the phase transformation resulted in a critical depth (ductile-brittle transition) of cut (˜60 nm ± 15 nm) much lower than the theoretical calculated results (˜387 nm). Moreover, it also led to abnormal load-displacement curves in the nanoindentation tests, resulting in the appearance of elbow and pop-out effects (˜270 nm at 20 s, 50 mN), which were highly dependent on the loading/unloading conditions. In summary, phase transformation of Si promoted surface deformation and fracture under both static and dynamic mechanical loading.

Engineered Surfaces for Mitigation of Insect Residue Adhesion

NASA Technical Reports Server (NTRS)

Siochi, Emilie J.; Smith, Joseph G.; Wohl, Christopher J.; Gardner, J. M.; Penner, Ronald K.; Connell, John W.

2013-01-01

Maintenance of laminar flow under operational flight conditions is being investigated under NASA s Environmentally Responsible Aviation (ERA) Program. Among the challenges with natural laminar flow is the accretion of residues from insect impacts incurred during takeoff or landing. Depending on air speed, temperature, and wing structure, the critical residue height for laminar flow disruption can be as low as 4 microns near the leading edge. In this study, engineered surfaces designed to minimize insect residue adhesion were examined. The coatings studied included chemical compositions containing functional groups typically associated with abhesive (non-stick) surfaces. To reduce surface contact by liquids and enhance abhesion, the engineered surfaces consisted of these coatings doped with particulate additives to generate random surface topography, as well as coatings applied to laser ablated surfaces having precision patterned topographies. Performance evaluation of these surfaces included contact angle goniometry of pristine coatings and profilometry of surfaces after insect impacts were incurred in laboratory scale tests, wind tunnel tests and flight tests. The results illustrate the complexity of designing antifouling surfaces for effective insect contamination mitigation under dynamic conditions and suggest that superhydrophobic surfaces may not be the most effective solution for preventing insect contamination on aircraft wing leading edges.

2011 Dynamics at Surfaces Gordon Research Conference (August 7-12, 2011, Salve Regina University, Newport, Rhode Island)

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

Greg Sitz

2011-08-12

The 2011 Gordon Conference on Dynamics at Surfaces is the 32nd anniversary of a meeting held every two years that is attended by leading researchers in the area of experimental and theoretical dynamics at liquid and solid surfaces. The conference focuses on the dynamics of the interaction of molecules with either liquid or solid surfaces, the dynamics of the outermost layer of liquid and solid surfaces and the dynamics at the liquid-solid interface. Specific topics that are featured include state-to-state scattering dynamics, chemical reaction dynamics, non-adiabatic effects in reactive and inelastic scattering of molecules from surfaces, single molecule dynamics atmore » surfaces, surface photochemistry, ultrafast dynamics at surfaces, and dynamics at water interfaces. The conference brings together investigators from a variety of scientific disciplines including chemistry, physics, materials science, geology, biophysics, and astronomy.« less

Modeling meniscus rise in capillary tubes using fluid in rigid-body motion approach

NASA Astrophysics Data System (ADS)

Hamdan, Mohammad O.; Abu-Nabah, Bassam A.

2018-04-01

In this study, a new term representing net flux rate of linear momentum is introduced to Lucas-Washburn equation. Following a fluid in rigid-body motion in modeling the meniscus rise in vertical capillary tubes transforms the nonlinear Lucas-Washburn equation to a linear mass-spring-damper system. The linear nature of mass-spring-damper system with constant coefficients offers a nondimensional analytical solution where meniscus dynamics are dictated by two parameters, namely the system damping ratio and its natural frequency. This connects the numerous fluid-surface interaction physical and geometrical properties to rather two nondimensional parameters, which capture the underlying physics of meniscus dynamics in three distinct cases, namely overdamped, critically damped, and underdamped systems. Based on experimental data available in the literature and the understanding meniscus dynamics, the proposed model brings a new approach of understanding the system initial conditions. Accordingly, a closed form relation is produced for the imbibition velocity, which equals half of the Bosanquet velocity divided by the damping ratio. The proposed general analytical model is ideal for overdamped and critically damped systems. While for underdamped systems, the solution shows fair agreement with experimental measurements once the effective viscosity is determined. Moreover, the presented model shows meniscus oscillations around equilibrium height occur if the damping ratio is less than one.

A hot tip: imaging phenomena using in situ multi-stimulus probes at high temperatures

NASA Astrophysics Data System (ADS)

Nonnenmann, Stephen S.

2016-02-01

Accurate high temperature characterization of materials remains a critical challenge to the continued advancement of various important energy, nuclear, electronic, and aerospace applications. Future experimental studies must assist these communities to progress past empiricism and derive deliberate, predictable designs of material classes functioning within active, extreme environments. Successful realization of systems ranging from fuel cells and batteries to electromechanical nanogenerators and turbines requires a dynamic understanding of the excitation, surface-mediated, and charge transfer phenomena which occur at heterophase interfaces (i.e. vapor-solid, liquid-solid, solid-solid) and impact overall performance. Advancing these frontiers therefore necessitates in situ (operando) characterization methods capable of resolving, both spatially and functionally, the coherence between these complex, collective excitations, and their respective response dynamics, through studies within the operating regime. This review highlights recent developments in scanning probe microscopy in performing in situ imaging at high elevated temperatures. The influence of and evolution from vacuum-based electron and tunneling microscopy are briefly summarized and discussed. The scope includes the use of high temperature imaging to directly observe critical phase transition, electronic, and electrochemical behavior under dynamic temperature settings, thus providing key physical parameters. Finally, both challenges and directions in combined instrumentation are proposed and discussed towards the end.

Molecular-dynamics simulations of thin films with a free surface

NASA Astrophysics Data System (ADS)

Peter, Simone; Meyer, Hendrik; Baschnagel, Joerg

2007-03-01

We present results [1,2] from molecular-dynamics simulations for a model of non-entangled short polymer chains in a free standing and a supported film geometry. We investigate the influence of confinement on static and dynamic properties of the melt. We find that the relaxation at the surfaces is faster in comparison to the bulk. We perform a layer-resolved analysis of the dynamics and show that it is possible to associate a gradient in critical temperatures Tc(y) with the gradient in the relaxation dynamics. This finding is in qualitative agreement with experimental results on supported polystyrene (PS) films [Ellison et al, Nat. Mater. 2, 695 (2003)]. Furthermore we show that the y-dependence of Tc(y) can be expressed in terms of the depression of Tc(h), the global Tc for a film of thickness h, if we assume that Tc(h) is the arithmetic mean of Tc(y) and parameterize the depression of Tc(h) by Tc(h)=Tc/(1+h0/h), a formula suggested by Herminghaus et al [Eur. Phys. J E 5, 531 (2001)] for the reduction of the glass transition temperature in supported PS films. We demonstrate the validity of this formula by comparing our simulation results to results from other simulations and experiments. [1] S. Peter, H. Meyer and J. Baschnagel, J. Polym. Sci. B, 44, 2951 (2006) [2] S. Peter, H. Meyer, J. Baschnagel and R, Seemann, J. Phys: Condens. Matter (2007)

Hierarchical zwitterionic modification of a SERS substrate enables real-time drug monitoring in blood plasma

NASA Astrophysics Data System (ADS)

Sun, Fang; Hung, Hsiang-Chieh; Sinclair, Andrew; Zhang, Peng; Bai, Tao; Galvan, Daniel David; Jain, Priyesh; Li, Bowen; Jiang, Shaoyi; Yu, Qiuming

2016-11-01

Surface-enhanced Raman spectroscopy (SERS) is an ultrasensitive analytical technique with molecular specificity, making it an ideal candidate for therapeutic drug monitoring (TDM). However, in critical diagnostic media including blood, nonspecific protein adsorption coupled with weak surface affinities and small Raman activities of many analytes hinder the TDM application of SERS. Here we report a hierarchical surface modification strategy, first by coating a gold surface with a self-assembled monolayer (SAM) designed to attract or probe for analytes and then by grafting a non-fouling zwitterionic polymer brush layer to effectively repel protein fouling. We demonstrate how this modification can enable TDM applications by quantitatively and dynamically measuring the concentrations of several analytes--including an anticancer drug (doxorubicin), several TDM-requiring antidepressant and anti-seizure drugs, fructose and blood pH--in undiluted plasma. This hierarchical surface chemistry is widely applicable to many analytes and provides a generalized platform for SERS-based biosensing in complex real-world media.

Hierarchical zwitterionic modification of a SERS substrate enables real-time drug monitoring in blood plasma

PubMed Central

Sun, Fang; Hung, Hsiang-Chieh; Sinclair, Andrew; Zhang, Peng; Bai, Tao; Galvan, Daniel David; Jain, Priyesh; Li, Bowen; Jiang, Shaoyi; Yu, Qiuming

2016-01-01

Surface-enhanced Raman spectroscopy (SERS) is an ultrasensitive analytical technique with molecular specificity, making it an ideal candidate for therapeutic drug monitoring (TDM). However, in critical diagnostic media including blood, nonspecific protein adsorption coupled with weak surface affinities and small Raman activities of many analytes hinder the TDM application of SERS. Here we report a hierarchical surface modification strategy, first by coating a gold surface with a self-assembled monolayer (SAM) designed to attract or probe for analytes and then by grafting a non-fouling zwitterionic polymer brush layer to effectively repel protein fouling. We demonstrate how this modification can enable TDM applications by quantitatively and dynamically measuring the concentrations of several analytes—including an anticancer drug (doxorubicin), several TDM-requiring antidepressant and anti-seizure drugs, fructose and blood pH—in undiluted plasma. This hierarchical surface chemistry is widely applicable to many analytes and provides a generalized platform for SERS-based biosensing in complex real-world media. PMID:27834380

Ultralow surface recombination velocity in InP nanowires probed by terahertz spectroscopy.

PubMed

Joyce, Hannah J; Wong-Leung, Jennifer; Yong, Chaw-Keong; Docherty, Callum J; Paiman, Suriati; Gao, Qiang; Tan, H Hoe; Jagadish, Chennupati; Lloyd-Hughes, James; Herz, Laura M; Johnston, Michael B

2012-10-10

Using transient terahertz photoconductivity measurements, we have made noncontact, room temperature measurements of the ultrafast charge carrier dynamics in InP nanowires. InP nanowires exhibited a very long photoconductivity lifetime of over 1 ns, and carrier lifetimes were remarkably insensitive to surface states despite the large nanowire surface area-to-volume ratio. An exceptionally low surface recombination velocity (170 cm/s) was recorded at room temperature. These results suggest that InP nanowires are prime candidates for optoelectronic devices, particularly photovoltaic devices, without the need for surface passivation. We found that the carrier mobility is not limited by nanowire diameter but is strongly limited by the presence of planar crystallographic defects such as stacking faults in these predominantly wurtzite nanowires. These findings show the great potential of very narrow InP nanowires for electronic devices but indicate that improvements in the crystallographic uniformity of InP nanowires will be critical for future nanowire device engineering.

Optimal Guaranteed Cost Sliding Mode Control for Constrained-Input Nonlinear Systems With Matched and Unmatched Disturbances.

PubMed

Zhang, Huaguang; Qu, Qiuxia; Xiao, Geyang; Cui, Yang

2018-06-01

Based on integral sliding mode and approximate dynamic programming (ADP) theory, a novel optimal guaranteed cost sliding mode control is designed for constrained-input nonlinear systems with matched and unmatched disturbances. When the system moves on the sliding surface, the optimal guaranteed cost control problem of sliding mode dynamics is transformed into the optimal control problem of a reformulated auxiliary system with a modified cost function. The ADP algorithm based on single critic neural network (NN) is applied to obtain the approximate optimal control law for the auxiliary system. Lyapunov techniques are used to demonstrate the convergence of the NN weight errors. In addition, the derived approximate optimal control is verified to guarantee the sliding mode dynamics system to be stable in the sense of uniform ultimate boundedness. Some simulation results are presented to verify the feasibility of the proposed control scheme.

GPU-enabled molecular dynamics simulations of ankyrin kinase complex

NASA Astrophysics Data System (ADS)

Gautam, Vertika; Chong, Wei Lim; Wisitponchai, Tanchanok; Nimmanpipug, Piyarat; Zain, Sharifuddin M.; Rahman, Noorsaadah Abd.; Tayapiwatana, Chatchai; Lee, Vannajan Sanghiran

2014-10-01

The ankyrin repeat (AR) protein can be used as a versatile scaffold for protein-protein interactions. It has been found that the heterotrimeric complex between integrin-linked kinase (ILK), PINCH, and parvin is an essential signaling platform, serving as a convergence point for integrin and growth-factor signaling and regulating cell adhesion, spreading, and migration. Using ILK-AR with high affinity for the PINCH1 as our model system, we explored a structure-based computational protocol to probe and characterize binding affinity hot spots at protein-protein interfaces. In this study, the long time scale dynamics simulations with GPU accelerated molecular dynamics (MD) simulations in AMBER12 have been performed to locate the hot spots of protein-protein interaction by the analysis of the Molecular Mechanics-Poisson-Boltzmann Surface Area/Generalized Born Solvent Area (MM-PBSA/GBSA) of the MD trajectories. Our calculations suggest good binding affinity of the complex and also the residues critical in the binding.

Theoretical study of the initial non-radiative 1 Bu → 2 Ag transition in the fluorescence quenching of s-trans-butadiene: Electronic structure methods and quantum dynamics

NASA Astrophysics Data System (ADS)

Komainda, A.; Lefrancois, D.; Dreuw, A.; Köppel, H.

2017-01-01

The photodynamics of s-trans-butadiene in the 6 eV excitation energy range is investigated by ab initio quantum dynamical methods, paying particular attention to the nonadiabatic coupling between the 1Bu and 2Ag singlet excited states. The existence of a conical intersection between their potential energy surfaces is confirmed. Key parameters of the system, like the energy gap between the interacting states and their coupling strength, are critically assessed. Up to eight nuclear degrees of freedom are considered in the dynamical treatment and are shown to lead to a more realistic description of the interactions. The gas phase (jet) UV absorption spectrum is well reproduced. The related ultrafast nonradiative population transfer from 1Bu to 2Ag is the initial processes leading to fluorescence quenching of trans-butadiene.

Imaging CF3I conical intersection and photodissociation dynamics by ultrafast electron diffraction

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

Yang, Jie

Conical intersections play a critical role in excited state dynamics of polyatomic molecules, as they govern the reaction pathways of many nonadiabatic processes. However, ultrafast probes have lacked sufficient spatial resolution to image wavepacket trajectories through these intersections directly. Here we present the simultaneous experimental characterization of one-photon and two-photon excitation channels in isolated CF3I molecules using ultrafast gas phase electron diffraction. In the two-photon channel, we have mapped out the real space trajectories of a coherent nuclear wavepacket, which bifurcates onto two potential energy surfaces when passing through a conical intersection. In the one-photon channel, we have resolved excitationmore » of both the umbrella and the breathing vibrational modes in the CF3 fragment in multiple nuclear dimensions. These findings benchmark and validate ab-initio nonadiabatic dynamics calculations.« less

Liquid-bridge stability and breakup on surfaces with contact-angle hysteresis.

PubMed

Akbari, Amir; Hill, Reghan J

2016-08-10

We study the stability and breakup of liquid bridges with a free contact line on surfaces with contact-angle hysteresis (CAH) under zero-gravity conditions. Non-ideal surfaces exhibit CAH because of surface imperfections, by which the constraints on three-phase contact lines are influenced. Given that interfacial instabilities are constraint-sensitive, understanding how CAH affects the stability and breakup of liquid bridges is crucial for predicting the drop size in contact-drop dispensing. Unlike ideal surfaces on which contact lines are always free irrespective of surface wettability, contact lines may undergo transitions from pinned to free and vice versa during drop deposition on non-ideal surfaces. Here, we experimentally and theoretically examine how stability and breakup are affected by CAH, highlighting cases where stability is lost during a transition from a pinned-pinned (more constrained) to pinned-free (less constrained) interface-rather than a critical state. This provides a practical means of expediting or delaying stability loss. We also demonstrate how the dynamic contact angle can control the contact-line radius following stability loss.

Experimental study of elliptical jet from sub to supercritical conditions

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

Muthukumaran, C. K.; Vaidyanathan, Aravind, E-mail: aravind7@iist.ac.in

2014-04-15

The jet mixing at supercritical conditions involves fluid dynamics as well as thermodynamic phenomena. All the jet mixing studies at critical conditions to the present date have focused only on axisymmetric jets. When the liquid jet is injected into supercritical environment, the thermodynamic transition could be well understood by considering one of the important fluid properties such as surface tension since it decides the existence of distinct boundary between the liquid and gaseous phase. It is well known that an elliptical liquid jet undergoes axis-switching phenomena under atmospheric conditions due to the presence of surface tension. The experimental investigations weremore » carried out with low speed elliptical jet under supercritical condition. Investigation of the binary component system with fluoroketone jet and N{sub 2} gas as environment shows that the surface tension force dominates for a large downstream distance, indicating delayed thermodynamic transition. The increase in pressure to critical state at supercritical temperature is found to expedite the thermodynamic transition. The ligament like structures has been observed rather than droplets for supercritical pressures. However, for the single component system with fluoroketone jet and fluoroketone environment shows that the jet disintegrates into droplets as it is subjected to the chamber conditions even for the subcritical pressures and no axis switching phenomenon is observed. For a single component system, as the pressure is increased to critical state, the liquid jet exhibits gas-gas like mixing behavior and that too without exhibiting axis-switching behavior.« less

Statistical contact angle analyses; "slow moving" drops on a horizontal silicon-oxide surface.

PubMed

Schmitt, M; Grub, J; Heib, F

2015-06-01

Sessile drop experiments on horizontal surfaces are commonly used to characterise surface properties in science and in industry. The advancing angle and the receding angle are measurable on every solid. Specially on horizontal surfaces even the notions themselves are critically questioned by some authors. Building a standard, reproducible and valid method of measuring and defining specific (advancing/receding) contact angles is an important challenge of surface science. Recently we have developed two/three approaches, by sigmoid fitting, by independent and by dependent statistical analyses, which are practicable for the determination of specific angles/slopes if inclining the sample surface. These approaches lead to contact angle data which are independent on "user-skills" and subjectivity of the operator which is also of urgent need to evaluate dynamic measurements of contact angles. We will show in this contribution that the slightly modified procedures are also applicable to find specific angles for experiments on horizontal surfaces. As an example droplets on a flat freshly cleaned silicon-oxide surface (wafer) are dynamically measured by sessile drop technique while the volume of the liquid is increased/decreased. The triple points, the time, the contact angles during the advancing and the receding of the drop obtained by high-precision drop shape analysis are statistically analysed. As stated in the previous contribution the procedure is called "slow movement" analysis due to the small covered distance and the dominance of data points with low velocity. Even smallest variations in velocity such as the minimal advancing motion during the withdrawing of the liquid are identifiable which confirms the flatness and the chemical homogeneity of the sample surface and the high sensitivity of the presented approaches. Copyright © 2014 Elsevier Inc. All rights reserved.

Molecular simulation of structure and diffusion at smectite-water interfaces: Using expanded clay interlayers as model nanopores

DOE PAGES

Greathouse, Jeffery A.; Hart, David; Bowers, Geoffrey M.; ...

2015-07-20

In geologic settings relevant to a number of extraction and potential sequestration processes, nanopores bounded by clay mineral surfaces play a critical role in the transport of aqueous species. Solution structure and dynamics at clay–water interfaces are quite different from their bulk values, and the spatial extent of this disruption remains a topic of current interest. We have used molecular dynamics simulations to investigate the structure and diffusion of aqueous solutions in clay nanopores approximately 6 nm thick, comparing the effect of clay composition with model Na-hectorite and Na-montmorillonite surfaces. In addition to structural properties at the interface, water andmore » ion diffusion coefficients were calculated within each aqueous layer at the interface, as well as in the central bulk-like region of the nanopore. The results show similar solution structure and diffusion properties at each surface, with subtle differences in sodium adsorption complexes and water structure in the first adsorbed layer due to different arrangements of layer hydroxyl groups in the two clay models. Interestingly, the extent of surface disruption on bulk-like solution structure and diffusion extends to only a few water layers. Additionally, a comparison of sodium ion residence times confirms similar behavior of inner-sphere and outer-sphere surface complexes at each clay surface, but ~1% of sodium ions adsorb in ditrigonal cavities on the hectorite surface. Thus, the presence of these anhydrous ions is consistent with highly immobile anhydrous ions seen in previous nuclear magnetic resonance spectroscopic measurements of hectorite pastes.« less

Spatial variation in water loss predicts terrestrial salamander distribution and population dynamics.

PubMed

Peterman, W E; Semlitsch, R D

2014-10-01

Many patterns observed in ecology, such as species richness, life history variation, habitat use, and distribution, have physiological underpinnings. For many ectothermic organisms, temperature relationships shape these patterns, but for terrestrial amphibians, water balance may supersede temperature as the most critical physiologically limiting factor. Many amphibian species have little resistance to water loss, which restricts them to moist microhabitats, and may significantly affect foraging, dispersal, and courtship. Using plaster models as surrogates for terrestrial plethodontid salamanders (Plethodon albagula), we measured water loss under ecologically relevant field conditions to estimate the duration of surface activity time across the landscape. Surface activity time was significantly affected by topography, solar exposure, canopy cover, maximum air temperature, and time since rain. Spatially, surface activity times were highest in ravine habitats and lowest on ridges. Surface activity time was a significant predictor of salamander abundance, as well as a predictor of successful recruitment; the probability of a juvenile salamander occupying an area with high surface activity time was two times greater than an area with limited predicted surface activity. Our results suggest that survival, recruitment, or both are demographic processes that are affected by water loss and the ability of salamanders to be surface-active. Results from our study extend our understanding of plethodontid salamander ecology, emphasize the limitations imposed by their unique physiology, and highlight the importance of water loss to spatial population dynamics. These findings are timely for understanding the effects that fluctuating temperature and moisture conditions predicted for future climates will have on plethodontid salamanders.

Experimental and Numerical Study on Effect of Sample Orientation on Auto-Ignition and Piloted Ignition of Poly(methyl methacrylate)

PubMed Central

Peng, Fei; Zhou, Xiao-Dong; Zhao, Kun; Wu, Zhi-Bo; Yang, Li-Zhong

2015-01-01

In this work, the effect of seven different sample orientations from 0° to 90° on pilot and non-pilot ignition of PMMA (poly(methyl methacrylate)) exposed to radiation has been studied with experimental and numerical methods. Some new and significant conclusions are drawn from the study, including a U-shape curve of ignition time and critical mass flux as sample angle increases for pilot ignition conditions. However, in auto-ignition, the ignition time and critical mass flux increases with sample angle α. Furthermore, a computational fluid dynamic model have been built based on the Fire Dynamics Simulator (FDS6) code to investigate the mechanisms controlling the dependence on sample orientation of the ignition of PMMA under external radiant heating. The results of theoretical analysis and modeling results indicate the decrease of total incident heat flux at sample surface plays the dominant role during the ignition processes of auto-ignition, but the volatiles gas flow has greater influence for piloted ignition conditions. PMID:28793421

Hierarchical organization as a diagnostic approach to volcano mechanics: Validation on Piton de la Fournaise

NASA Astrophysics Data System (ADS)

Grasso, J. R.; Bachèlery, P.

Self-organized systems are often used to describe natural phenomena where power laws and scale invariant geometry are observed. The Piton de la Fournaise volcano shows power-law behavior in many aspects. These include the temporal distribution of eruptions, the frequency-size distributions of induced earthquakes, dikes, fissures, lava flows and interflow periods, all evidence of self-similarity over a finite scale range. We show that the bounds to scale-invariance can be used to derive geomechanical constraints on both the volcano structure and the volcano mechanics. We ascertain that the present magma bodies are multi-lens reservoirs in a quasi-eruptive condition, i.e. a marginally critical state. The scaling organization of dynamic fluid-induced observables on the volcano, such as fluid induced earthquakes, dikes and surface fissures, appears to be controlled by underlying static hierarchical structure (geology) similar to that proposed for fluid circulations in human physiology. The emergence of saturation lengths for the scalable volcanic observable argues for the finite scalability of complex naturally self-organized critical systems, including volcano dynamics.

Conformational dynamics underlie the activity of the auxin-binding protein, Nt-abp1.

PubMed

David, K; Carnero-Diaz, E; Leblanc, N; Monestiez, M; Grosclaude, J; Perrot-Rechenmann, C

2001-09-14

The auxin-binding protein 1 (ABP1) has been proposed to be involved in the perception of the phytohormone at the plasma membrane. Site-directed mutagenesis was performed on highly conserved residues at the C terminus of ABP1 to investigate their relative importance in protein folding and activation of a functional response at the plasma membrane. Detailed analysis of the dynamic interaction of the wild-type ABP1 and mutated proteins with three distinct monoclonal antibodies recognizing conformation-dependent epitopes was performed by surface plasmon resonance. The influence of auxin on these interactions was also investigated. The Cys(177) as well as Asp(175) and Glu(176) were identified as critical residues for ABP1 folding and action at the plasma membrane. On the contrary, the C-terminal KDEL sequence was demonstrated not to be essential for auxin binding, interaction with the plasma membrane, or activation of the transduction cascade although it does appear to be involved in the stability of ABP1. Taken together, the results confirmed that ABP1 conformational change is the critical step for initiating the signal from the plasma membrane.

[Basic research on vocal fold dynamics: three-dimensional vibration analysis of human and canine larynges].

PubMed

Döllinger, M; Rosanowski, F; Eysholdt, U; Lohscheller, J

2008-12-01

The understanding of normal and pathological vocal fold dynamics is the basis for a pathophysiological motivated voice therapy. Crucial vocal fold dynamics concerning voice production occur at the medial part of the vocal fold which is seen as the most critical region of mucosal wave propagation. Due to the limited size of the larynx the possibilities of laryngeal imaging by endoscopic techniques are limited. This work describes an experimental set-up that enables quantification of the entire medial and superior vocal fold surface using excised human and in vivo canine larynges. The data obtained enable analysis of vocal fold deflections, velocities, and mucosal wave propagation. The reciprocal dependencies can be examined and different areas of vocal fold dynamics located. The vertical components obscured in clinical endoscopy can be visualized. This is not negligible. In particular it is shown that the vertical deflection, which cannot be observed by clinical examination, plays an important part in the dynamics and therefore cannot be omitted for therapeutic procedures. The theoretically assumed entrainment and influence of the two main vibration modes enabling normal phonation is confirmed.

A Neural Dynamic Model Generates Descriptions of Object-Oriented Actions.

PubMed

Richter, Mathis; Lins, Jonas; Schöner, Gregor

2017-01-01

Describing actions entails that relations between objects are discovered. A pervasively neural account of this process requires that fundamental problems are solved: the neural pointer problem, the binding problem, and the problem of generating discrete processing steps from time-continuous neural processes. We present a prototypical solution to these problems in a neural dynamic model that comprises dynamic neural fields holding representations close to sensorimotor surfaces as well as dynamic neural nodes holding discrete, language-like representations. Making the connection between these two types of representations enables the model to describe actions as well as to perceptually ground movement phrases-all based on real visual input. We demonstrate how the dynamic neural processes autonomously generate the processing steps required to describe or ground object-oriented actions. By solving the fundamental problems of neural pointing, binding, and emergent discrete processing, the model may be a first but critical step toward a systematic neural processing account of higher cognition. Copyright © 2017 The Authors. Topics in Cognitive Science published by Wiley Periodicals, Inc. on behalf of Cognitive Science Society.

Predicting infant cortical surface development using a 4D varifold-based learning framework and local topography-based shape morphing.

PubMed

Rekik, Islem; Li, Gang; Lin, Weili; Shen, Dinggang

2016-02-01

Longitudinal neuroimaging analysis methods have remarkably advanced our understanding of early postnatal brain development. However, learning predictive models to trace forth the evolution trajectories of both normal and abnormal cortical shapes remains broadly absent. To fill this critical gap, we pioneered the first prediction model for longitudinal developing cortical surfaces in infants using a spatiotemporal current-based learning framework solely from the baseline cortical surface. In this paper, we detail this prediction model and even further improve its performance by introducing two key variants. First, we use the varifold metric to overcome the limitations of the current metric for surface registration that was used in our preliminary study. We also extend the conventional varifold-based surface registration model for pairwise registration to a spatiotemporal surface regression model. Second, we propose a morphing process of the baseline surface using its topographic attributes such as normal direction and principal curvature sign. Specifically, our method learns from longitudinal data both the geometric (vertices positions) and dynamic (temporal evolution trajectories) features of the infant cortical surface, comprising a training stage and a prediction stage. In the training stage, we use the proposed varifold-based shape regression model to estimate geodesic cortical shape evolution trajectories for each training subject. We then build an empirical mean spatiotemporal surface atlas. In the prediction stage, given an infant, we select the best learnt features from training subjects to simultaneously predict the cortical surface shapes at all later timepoints, based on similarity metrics between this baseline surface and the learnt baseline population average surface atlas. We used a leave-one-out cross validation method to predict the inner cortical surface shape at 3, 6, 9 and 12 months of age from the baseline cortical surface shape at birth. Our method attained a higher prediction accuracy and better captured the spatiotemporal dynamic change of the highly folded cortical surface than the previous proposed prediction method. Copyright © 2015 Elsevier B.V. All rights reserved.

Quantum critical dynamics of the boson system in the Ginzburg-Landau model

NASA Astrophysics Data System (ADS)

Vasin, M. G.

2014-12-01

The quantum critical dynamics of the quantum phase transitions is considered. In the framework of the unified theory, based on the Keldysh technique, we consider the crossover from the classical to the quantum description of the boson many-body system dynamics close to the second order quantum phase transition. It is shown that in this case the upper critical space dimension of this model is dc+=2, therefore the quantum critical dynamics approach is useful in case of d<2. In the one-dimension system the phase coherence time does diverge at the quantum critical point, gc, and has the form of τ∝-ln∣g-gc∣/∣g-gc∣, the correlation radius diverges as rc∝∣g-gc∣(ν=0.6).

Solar dynamic systems

NASA Technical Reports Server (NTRS)

Dustin, M. O.

1985-01-01

The development of the solar dynamic system is discussed. The benefits of the solar dynamic system over pv systems are enumerated. The history of the solar dynamic development is recounted. The purpose and approach of the advanced development are outlined. Critical concentrator technology and critical heat recover technology are examined.

PREFACE: Vibrations at surfaces Vibrations at surfaces

NASA Astrophysics Data System (ADS)

Rahman, Talat S.

2011-12-01

This special issue is dedicated to the phenomenon of vibrations at surfaces—a topic that was indispensible a couple of decades ago, since it was one of the few phenomena capable of revealing the nature of binding at solid surfaces. For clean surfaces, the frequencies of modes with characteristic displacement patterns revealed how surface geometry, as well as the nature of binding between atoms in the surface layers, could be different from that in the bulk solid. Dispersion of the surface phonons provided further measures of interatomic interactions. For chemisorbed molecules on surfaces, frequencies and dispersion of the vibrational modes were also critical for determining adsorption sites. In other words, vibrations at surfaces served as a reliable means of extracting information about surface structure, chemisorption and overlayer formation. Experimental techniques, such as electron energy loss spectroscopy and helium-atom-surface scattering, coupled with infra-red spectroscopy, were continually refined and their resolutions enhanced to capture subtleties in the dynamics of atoms and molecules at surfaces. Theoretical methods, whether based on empirical and semi-empirical interatomic potential or on ab initio electronic structure calculations, helped decipher experimental observations and provide deeper insights into the nature of the bond between atoms and molecules in regions of reduced symmetry, as encountered on solid surfaces. Vibrations at surfaces were thus an integral part of the set of phenomena that characterized surface science. Dedicated workshops and conferences were held to explore the variety of interesting and puzzling features revealed in experimental and theoretical investigations of surface vibrational modes and their dispersion. One such conference, Vibrations at Surfaces, first organized by Harald Ibach in Juelich in 1980, continues to this day. The 13th International Conference on Vibrations at Surfaces was held at the University of Central Florida, Orlando, in March 2010. Several speakers at this meeting were invited to contribute to the special section in this issue. As is clear from the articles in this special section, the phenomenon of vibrations at surfaces continues to be a dynamic field of investigation. In fact, there is a resurgence of effort because the insights provided by surface dynamics are still fundamental to the development of an understanding of the microscopic factors that control surface structure formation, diffusion, reaction and structural stability. Examination of dynamics at surfaces thus complements and supplements the wealth of information that is obtained from real-space techniques such as scanning tunneling microscopy. Vibrational dynamics is, of course, not limited to surfaces. Surfaces are important since they provide immediate deviation from the bulk. They display how lack of symmetry can lead to new structures, new local atomic environments and new types of dynamical modes. Nanoparticles, large molecules and nanostructures of all types, in all kinds of local environments, provide further examples of regions of reduced symmetry and coordination, and hence display characteristic vibrational modes. Given the tremendous advance in the synthesis of a variety of nanostructures whose functionalization would pave the way for nanotechnology, there is even greater need to engage in experimental and theoretical techniques that help extract their vibrational dynamics. Such knowledge would enable a more complete understanding and characterization of these nanoscale systems than would otherwise be the case. The papers presented here provide excellent examples of the kind of information that is revealed by vibrations at surfaces. Vibrations at surface contents Poisoning and non-poisoning oxygen on Cu(410)L Vattuone, V Venugopal, T Kravchuk, M Smerieri, L Savio and M Rocca Modifying protein adsorption by layers of glutathione pre-adsorbed on Au(111)Anne Vallée, Vincent Humblot, Christophe Méthivier, Paul Dumas and Claire-Marie Pradier Relating temperature dependence of atom scattering spectra to surface corrugationW W Hayes and J R Manson Effects of the commensurability and disorder on friction for the system Xe/CuA Franchini, V Bortolani, G Santoro and K Xheka Switching ability of nitro-spiropyran on Au(111): electronic structure changes as a sensitive probe during a ring-opening reactionChristopher Bronner, Gunnar Schulze, Katharina J Franke, José Ignacio Pascual and Petra Tegeder High-resolution phonon study of the Ag(100) surfaceK L Kostov, S Polzin and W Widdra On the interpretation of IETS spectra of a small organic molecule Karina Morgenstern

Concentration-Discharge Relations in the Critical Zone: Implications for Resolving Critical Zone Structure, Function, and Evolution

NASA Astrophysics Data System (ADS)

Chorover, Jon; Derry, Louis A.; McDowell, William H.

2017-11-01

Critical zone science seeks to develop mechanistic theories that describe critical zone structure, function, and long-term evolution. One postulate is that hydrogeochemical controls on critical zone evolution can be inferred from solute discharges measured down-gradient of reactive flow paths. These flow paths have variable lengths, interfacial compositions, and residence times, and their mixing is reflected in concentration-discharge (C-Q) relations. Motivation for this special section originates from a U.S. Critical Zone Observatories workshop that was held at the University of New Hampshire, 20-22 July 2015. The workshop focused on resolving mechanistic CZ controls over surface water chemical dynamics across the full range of lithogenic (e.g., nonhydrolyzing and hydrolyzing cations and oxyanions) and bioactive solutes (e.g., organic and inorganic forms of C, N, P, and S), including dissolved and colloidal species that may cooccur for a given element. Papers submitted to this special section on "concentration-discharge relations in the critical zone" include those from authors who attended the workshop, as well as others who responded to the open solicitation. Submissions were invited that utilized information pertaining to internal, integrated catchment function (relations between hydrology, biogeochemistry, and landscape structure) to help illuminate controls on observed C-Q relations.

Smoothed particle hydrodynamics study of the roughness effect on contact angle and droplet flow.

PubMed

Shigorina, Elena; Kordilla, Jannes; Tartakovsky, Alexandre M

2017-09-01

We employ a pairwise force smoothed particle hydrodynamics (PF-SPH) model to simulate sessile and transient droplets on rough hydrophobic and hydrophilic surfaces. PF-SPH allows modeling of free-surface flows without discretizing the air phase, which is achieved by imposing the surface tension and dynamic contact angles with pairwise interaction forces. We use the PF-SPH model to study the effect of surface roughness and microscopic contact angle on the effective contact angle and droplet dynamics. In the first part of this work, we investigate static contact angles of sessile droplets on different types of rough surfaces. We find that the effective static contact angles of Cassie and Wenzel droplets on a rough surface are greater than the corresponding microscale static contact angles. As a result, microscale hydrophobic rough surfaces also show effective hydrophobic behavior. On the other hand, microscale hydrophilic surfaces may be macroscopically hydrophilic or hydrophobic, depending on the type of roughness. We study the dependence of the transition between Cassie and Wenzel states on roughness and droplet size, which can be linked to the critical pressure for the given fluid-substrate combination. We observe good agreement between simulations and theoretical predictions. Finally, we study the impact of the roughness orientation (i.e., an anisotropic roughness) and surface inclination on droplet flow velocities. Simulations show that droplet flow velocities are lower if the surface roughness is oriented perpendicular to the flow direction. If the predominant elements of surface roughness are in alignment with the flow direction, the flow velocities increase compared to smooth surfaces, which can be attributed to the decrease in fluid-solid contact area similar to the lotus effect. We demonstrate that classical linear scaling relationships between Bond and capillary numbers for droplet flow on flat surfaces also hold for flow on rough surfaces.

An Illumination Modeling System for Human Factors Analyses

NASA Technical Reports Server (NTRS)

Huynh, Thong; Maida, James C.; Bond, Robert L. (Technical Monitor)

2002-01-01

Seeing is critical to human performance. Lighting is critical for seeing. Therefore, lighting is critical to human performance. This is common sense, and here on earth, it is easily taken for granted. However, on orbit, because the sun will rise or set every 45 minutes on average, humans working in space must cope with extremely dynamic lighting conditions. Contrast conditions of harsh shadowing and glare is also severe. The prediction of lighting conditions for critical operations is essential. Crew training can factor lighting into the lesson plans when necessary. Mission planners can determine whether low-light video cameras are required or whether additional luminaires need to be flown. The optimization of the quantity and quality of light is needed because of the effects on crew safety, on electrical power and on equipment maintainability. To address all of these issues, an illumination modeling system has been developed by the Graphics Research and Analyses Facility (GRAF) and Lighting Environment Test Facility (LETF) in the Space Human Factors Laboratory at NASA Johnson Space Center. The system uses physically based ray tracing software (Radiance) developed at Lawrence Berkeley Laboratories, a human factors oriented geometric modeling system (PLAID) and an extensive database of humans and environments. Material reflectivity properties of major surfaces and critical surfaces are measured using a gonio-reflectometer. Luminaires (lights) are measured for beam spread distribution, color and intensity. Video camera performances are measured for color and light sensitivity. 3D geometric models of humans and the environment are combined with the material and light models to form a system capable of predicting lighting conditions and visibility conditions in space.

Adaptive critics for dynamic optimization.

PubMed

Kulkarni, Raghavendra V; Venayagamoorthy, Ganesh Kumar

2010-06-01

A novel action-dependent adaptive critic design (ACD) is developed for dynamic optimization. The proposed combination of a particle swarm optimization-based actor and a neural network critic is demonstrated through dynamic sleep scheduling of wireless sensor motes for wildlife monitoring. The objective of the sleep scheduler is to dynamically adapt the sleep duration to node's battery capacity and movement pattern of animals in its environment in order to obtain snapshots of the animal on its trajectory uniformly. Simulation results show that the sleep time of the node determined by the actor critic yields superior quality of sensory data acquisition and enhanced node longevity. Copyright 2010 Elsevier Ltd. All rights reserved.

Structural versus dynamical origins of mean-field behavior in a self-organized critical model of neuronal avalanches

NASA Astrophysics Data System (ADS)

Moosavi, S. Amin; Montakhab, Afshin

2015-11-01

Critical dynamics of cortical neurons have been intensively studied over the past decade. Neuronal avalanches provide the main experimental as well as theoretical tools to consider criticality in such systems. Experimental studies show that critical neuronal avalanches show mean-field behavior. There are structural as well as recently proposed [Phys. Rev. E 89, 052139 (2014), 10.1103/PhysRevE.89.052139] dynamical mechanisms that can lead to mean-field behavior. In this work we consider a simple model of neuronal dynamics based on threshold self-organized critical models with synaptic noise. We investigate the role of high-average connectivity, random long-range connections, as well as synaptic noise in achieving mean-field behavior. We employ finite-size scaling in order to extract critical exponents with good accuracy. We conclude that relevant structural mechanisms responsible for mean-field behavior cannot be justified in realistic models of the cortex. However, strong dynamical noise, which can have realistic justifications, always leads to mean-field behavior regardless of the underlying structure. Our work provides a different (dynamical) origin than the conventionally accepted (structural) mechanisms for mean-field behavior in neuronal avalanches.

Effective conductivity and permittivity of unsaturated porous materials in the frequency range 1 mHz–1GHz

PubMed Central

Revil, A

2013-01-01

A model combining low-frequency complex conductivity and high-frequency permittivity is developed in the frequency range from 1 mHz to 1 GHz. The low-frequency conductivity depends on pore water and surface conductivities. Surface conductivity is controlled by the electrical diffuse layer, the outer component of the electrical double layer coating the surface of the minerals. The frequency dependence of the effective quadrature conductivity shows three domains. Below a critical frequency fp, which depends on the dynamic pore throat size Λ, the quadrature conductivity is frequency dependent. Between fp and a second critical frequency fd, the quadrature conductivity is generally well described by a plateau when clay minerals are present in the material. Clay-free porous materials with a narrow grain size distribution are described by a Cole-Cole model. The characteristic frequency fd controls the transition between double layer polarization and the effect of the high-frequency permittivity of the material. The Maxwell-Wagner polarization is found to be relatively negligible. For a broad range of frequencies below 1 MHz, the effective permittivity exhibits a strong dependence with the cation exchange capacity and the specific surface area. At high frequency, above the critical frequency fd, the effective permittivity reaches a high-frequency asymptotic limit that is controlled by the two Archie's exponents m and n like the low-frequency electrical conductivity. The unified model is compared with various data sets from the literature and is able to explain fairly well a broad number of observations with a very small number of textural and electrochemical parameters. It could be therefore used to interpret induced polarization, induction-based electromagnetic methods, and ground penetrating radar data to characterize the vadose zone. PMID:23576823

Feedbacks between managed irrigation and water availability: Diagnosing temporal and spatial patterns using an integrated hydrologic model

NASA Astrophysics Data System (ADS)

Condon, Laura E.; Maxwell, Reed M.

2014-03-01

Groundwater-fed irrigation has been shown to deplete groundwater storage, decrease surface water runoff, and increase evapotranspiration. Here we simulate soil moisture-dependent groundwater-fed irrigation with an integrated hydrologic model. This allows for direct consideration of feedbacks between irrigation demand and groundwater depth. Special attention is paid to system dynamics in order to characterized spatial variability in irrigation demand and response to increased irrigation stress. A total of 80 years of simulation are completed for the Little Washita Basin in Southwestern Oklahoma, USA spanning a range of agricultural development scenarios and management practices. Results show regionally aggregated irrigation impacts consistent with other studies. However, here a spectral analysis reveals that groundwater-fed irrigation also amplifies the annual streamflow cycle while dampening longer-term cyclical behavior with increased irrigation during climatological dry periods. Feedbacks between the managed and natural system are clearly observed with respect to both irrigation demand and utilization when water table depths are within a critical range. Although the model domain is heterogeneous with respect to both surface and subsurface parameters, relationships between irrigation demand, water table depth, and irrigation utilization are consistent across space and between scenarios. Still, significant local heterogeneities are observed both with respect to transient behavior and response to stress. Spatial analysis of transient behavior shows that farms with groundwater depths within a critical depth range are most sensitive to management changes. Differences in behavior highlight the importance of groundwater's role in system dynamics in addition to water availability.

Surface water hydrology and the Greenland Ice Sheet

NASA Astrophysics Data System (ADS)

Smith, L. C.; Yang, K.; Pitcher, L. H.; Overstreet, B. T.; Chu, V. W.; Rennermalm, A. K.; Cooper, M. G.; Gleason, C. J.; Ryan, J.; Hubbard, A.; Tedesco, M.; Behar, A.

2016-12-01

Mass loss from the Greenland Ice Sheet now exceeds 260 Gt/year, raising global sea level by >0.7 mm annually. Approximately two-thirds of this total mass loss is now driven by negative ice sheet surface mass balance (SMB), attributed mainly to production and runoff of meltwater from the ice sheet surface. This new dominance of runoff as a driver of GrIS total mass loss will likely persist owing to anticipated further increases in surface melting, reduced meltwater storage in firn, and the waning importance of dynamical mass losses (ice calving) as the ice sheets retreat from their marine-terminating margins. It also creates the need and opportunity for integrative research pairing traditional surface water hydrology approaches with glaciology. As one example, we present a way to measure supraglacial "runoff" (i.e. specific discharge) at the supraglacial catchment scale ( 101-102 km2), using in situ measurements of supraglacial river discharge and high-resolution satellite/drone mapping of upstream catchment area. This approach, which is standard in terrestrial hydrology but novel for ice sheet science, enables independent verification and improvement of modeled SMB runoff estimates used to project sea level rise. Furthermore, because current SMB models do not consider the role of fluvial watershed processes operating on the ice surface, inclusion of even a simple surface routing model materially improves simulations of runoff delivered to moulins, the critical pathways for meltwater entry into the ice sheet. Incorporating principles of surface water hydrology and fluvial geomorphology and into glaciological models will thus aid estimates of Greenland meltwater runoff to the global ocean as well as connections to subglacial hydrology and ice sheet dynamics.

A New Technique for the Retrieval of Near Surface Water Vapor Using DIAL Measurements

NASA Technical Reports Server (NTRS)

Ismail, Syed; Kooi, Susan; Ferrare, Richard; Winker, David; Hair, Johnathan; Nehrir, Amin; Notari, Anthony; Hostetler, Chris

2015-01-01

Water vapor is one of the most important atmospheric trace gas species and influences radiation, climate, cloud formation, surface evaporation, precipitation, storm development, transport, dynamics, and chemistry. For improvements in NWP (numerical weather prediction) and climate studies, global water vapor measurements with higher accuracy and vertical resolution are needed than are currently available. Current satellite sensors are challenged to characterize the content and distribution of water vapor in the Boundary Layer (BL) and particularly near the first few hundred meters above the surface within the BL. These measurements are critically needed to infer surface evaporation rates in cloud formation and climate studies. The NASA Langley Research Center Lidar Atmospheric Sensing Experiment (LASE) system, which uses the Differential Absorption Lidar (DIAL) technique, has demonstrated the capability to provide high quality water vapor measurements in the BL and across the troposphere. A new retrieval technique is investigated to extend these DIAL water vapor measurements to the surface. This method uses signals from both atmospheric backscattering and the strong surface returns (even over low reflectivity oceanic surfaces) using multiple gain channels to cover the large signal dynamic range. Measurements can be made between broken clouds and in presence of optically thin cirrus. Examples of LASE measurements from a variety of conditions encountered during NASA hurricane field experiments over the Atlantic Ocean are presented. Comparisons of retrieved water vapor profiles from LASE near the surface with dropsonde measurements show very good agreement. This presentation also includes a discussion of the feasibility of developing space-based DIAL capability for high resolution water vapor measurements in the BL and above and an assessment of the technology needed for developing this capability.

Electron theory of fast and ultrafast dissipative magnetization dynamics.

PubMed

Fähnle, M; Illg, C

2011-12-14

For metallic magnets we review the experimental and electron-theoretical investigations of fast magnetization dynamics (on a timescale of ns to 100 ps) and of laser-pulse-induced ultrafast dynamics (few hundred fs). It is argued that for both situations the dominant contributions to the dissipative part of the dynamics arise from the excitation of electron-hole pairs and from the subsequent relaxation of these pairs by spin-dependent scattering processes, which transfer angular momentum to the lattice. By effective field theories (generalized breathing and bubbling Fermi-surface models) it is shown that the Gilbert equation of motion, which is often used to describe the fast dissipative magnetization dynamics, must be extended in several aspects. The basic assumptions of the Elliott-Yafet theory, which is often used to describe the ultrafast spin relaxation after laser-pulse irradiation, are discussed very critically. However, it is shown that for Ni this theory probably yields a value for the spin-relaxation time T(1) in good agreement with the experimental value. A relation between the quantity α characterizing the damping of the fast dynamics in simple situations and the time T(1) is derived. © 2011 IOP Publishing Ltd

Spontaneous cortical activity is transiently poised close to criticality

PubMed Central

Monier, Cyril; Kumar, Arvind; Deco, Gustavo; Frégnac, Yves

2017-01-01

Brain activity displays a large repertoire of dynamics across the sleep-wake cycle and even during anesthesia. It was suggested that criticality could serve as a unifying principle underlying the diversity of dynamics. This view has been supported by the observation of spontaneous bursts of cortical activity with scale-invariant sizes and durations, known as neuronal avalanches, in recordings of mesoscopic cortical signals. However, the existence of neuronal avalanches in spiking activity has been equivocal with studies reporting both its presence and absence. Here, we show that signs of criticality in spiking activity can change between synchronized and desynchronized cortical states. We analyzed the spontaneous activity in the primary visual cortex of the anesthetized cat and the awake monkey, and found that neuronal avalanches and thermodynamic indicators of criticality strongly depend on collective synchrony among neurons, LFP fluctuations, and behavioral state. We found that synchronized states are associated to criticality, large dynamical repertoire and prolonged epochs of eye closure, while desynchronized states are associated to sub-criticality, reduced dynamical repertoire, and eyes open conditions. Our results show that criticality in cortical dynamics is not stationary, but fluctuates during anesthesia and between different vigilance states. PMID:28542191

Spontaneous cortical activity is transiently poised close to criticality.

PubMed

Hahn, Gerald; Ponce-Alvarez, Adrian; Monier, Cyril; Benvenuti, Giacomo; Kumar, Arvind; Chavane, Frédéric; Deco, Gustavo; Frégnac, Yves

2017-05-01

Brain activity displays a large repertoire of dynamics across the sleep-wake cycle and even during anesthesia. It was suggested that criticality could serve as a unifying principle underlying the diversity of dynamics. This view has been supported by the observation of spontaneous bursts of cortical activity with scale-invariant sizes and durations, known as neuronal avalanches, in recordings of mesoscopic cortical signals. However, the existence of neuronal avalanches in spiking activity has been equivocal with studies reporting both its presence and absence. Here, we show that signs of criticality in spiking activity can change between synchronized and desynchronized cortical states. We analyzed the spontaneous activity in the primary visual cortex of the anesthetized cat and the awake monkey, and found that neuronal avalanches and thermodynamic indicators of criticality strongly depend on collective synchrony among neurons, LFP fluctuations, and behavioral state. We found that synchronized states are associated to criticality, large dynamical repertoire and prolonged epochs of eye closure, while desynchronized states are associated to sub-criticality, reduced dynamical repertoire, and eyes open conditions. Our results show that criticality in cortical dynamics is not stationary, but fluctuates during anesthesia and between different vigilance states.

Dynamic trapping near a quantum critical point

NASA Astrophysics Data System (ADS)

Kolodrubetz, Michael; Katz, Emanuel; Polkovnikov, Anatoli

2015-02-01

The study of dynamics in closed quantum systems has been revitalized by the emergence of experimental systems that are well-isolated from their environment. In this paper, we consider the closed-system dynamics of an archetypal model: spins driven across a second-order quantum critical point, which are traditionally described by the Kibble-Zurek mechanism. Imbuing the driving field with Newtonian dynamics, we find that the full closed system exhibits a robust new phenomenon—dynamic critical trapping—in which the system is self-trapped near the critical point due to efficient absorption of field kinetic energy by heating the quantum spins. We quantify limits in which this phenomenon can be observed and generalize these results by developing a Kibble-Zurek scaling theory that incorporates the dynamic field. Our findings can potentially be interesting in the context of early universe physics, where the role of the driving field is played by the inflaton or a modulus field.

Entropic (de)stabilization of surface-bound peptides conjugated with polymers

NASA Astrophysics Data System (ADS)

Carmichael, Scott P.; Shell, M. Scott

2015-12-01

In many emerging biotechnologies, functional proteins must maintain their native structures on or near interfaces (e.g., tethered peptide arrays, protein coated nanoparticles, and amphiphilic peptide micelles). Because the presence of a surface is known to dramatically alter the thermostability of tethered proteins, strategies to stabilize surface-bound proteins are highly sought. Here, we show that polymer conjugation allows for significant control over the secondary structure and thermostability of a model surface-tethered peptide. We use molecular dynamics simulations to examine the folding behavior of a coarse-grained helical peptide that is conjugated to polymers of various lengths and at various conjugation sites. These polymer variations reveal surprisingly diverse behavior, with some stabilizing and some destabilizing the native helical fold. We show that ideal-chain polymer entropies explain these varied effects and can quantitatively predict shifts in folding temperature. We then develop a generic theoretical model, based on ideal-chain entropies, that predicts critical lengths for conjugated polymers to effect changes in the folding of a surface-bound protein. These results may inform new design strategies for the stabilization of surface-associated proteins important for a range technological applications.

Entropic (de)stabilization of surface-bound peptides conjugated with polymers.

PubMed

Carmichael, Scott P; Shell, M Scott

2015-12-28

In many emerging biotechnologies, functional proteins must maintain their native structures on or near interfaces (e.g., tethered peptide arrays, protein coated nanoparticles, and amphiphilic peptide micelles). Because the presence of a surface is known to dramatically alter the thermostability of tethered proteins, strategies to stabilize surface-bound proteins are highly sought. Here, we show that polymer conjugation allows for significant control over the secondary structure and thermostability of a model surface-tethered peptide. We use molecular dynamics simulations to examine the folding behavior of a coarse-grained helical peptide that is conjugated to polymers of various lengths and at various conjugation sites. These polymer variations reveal surprisingly diverse behavior, with some stabilizing and some destabilizing the native helical fold. We show that ideal-chain polymer entropies explain these varied effects and can quantitatively predict shifts in folding temperature. We then develop a generic theoretical model, based on ideal-chain entropies, that predicts critical lengths for conjugated polymers to effect changes in the folding of a surface-bound protein. These results may inform new design strategies for the stabilization of surface-associated proteins important for a range technological applications.

Data collapse and critical dynamics in neuronal avalanche data

NASA Astrophysics Data System (ADS)

Butler, Thomas; Friedman, Nir; Dahmen, Karin; Beggs, John; Deville, Lee; Ito, Shinya

2012-02-01

The tasks of information processing, computation, and response to stimuli require neural computation to be remarkably flexible and diverse. To optimally satisfy the demands of neural computation, neuronal networks have been hypothesized to operate near a non-equilibrium critical point. In spite of their importance for neural dynamics, experimental evidence for critical dynamics has been primarily limited to power law statistics that can also emerge from non-critical mechanisms. By tracking the firing of large numbers of synaptically connected cortical neurons and comparing the resulting data to the predictions of critical phenomena, we show that cortical tissues in vitro can function near criticality. Among the most striking predictions of critical dynamics is that the mean temporal profiles of avalanches of widely varying durations are quantitatively described by a single universal scaling function (data collapse). We show for the first time that this prediction is confirmed in neuronal networks. We also show that the data have three additional features predicted by critical phenomena: approximate power law distributions of avalanche sizes and durations, samples in subcritical and supercritical phases, and scaling laws between anomalous exponents.

Ice formation on kaolinite: Insights from molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Sosso, Gabriele C.; Tribello, Gareth A.; Zen, Andrea; Pedevilla, Philipp; Michaelides, Angelos

2016-12-01

The formation of ice affects many aspects of our everyday life as well as important technologies such as cryotherapy and cryopreservation. Foreign substances almost always aid water freezing through heterogeneous ice nucleation, but the molecular details of this process remain largely unknown. In fact, insight into the microscopic mechanism of ice formation on different substrates is difficult to obtain even if state-of-the-art experimental techniques are used. At the same time, atomistic simulations of heterogeneous ice nucleation frequently face extraordinary challenges due to the complexity of the water-substrate interaction and the long time scales that characterize nucleation events. Here, we have investigated several aspects of molecular dynamics simulations of heterogeneous ice nucleation considering as a prototypical ice nucleating material the clay mineral kaolinite, which is of relevance in atmospheric science. We show via seeded molecular dynamics simulations that ice nucleation on the hydroxylated (001) face of kaolinite proceeds exclusively via the formation of the hexagonal ice polytype. The critical nucleus size is two times smaller than that obtained for homogeneous nucleation at the same supercooling. Previous findings suggested that the flexibility of the kaolinite surface can alter the time scale for ice nucleation within molecular dynamics simulations. However, we here demonstrate that equally flexible (or non flexible) kaolinite surfaces can lead to very different outcomes in terms of ice formation, according to whether or not the surface relaxation of the clay is taken into account. We show that very small structural changes upon relaxation dramatically alter the ability of kaolinite to provide a template for the formation of a hexagonal overlayer of water molecules at the water-kaolinite interface, and that this relaxation therefore determines the nucleation ability of this mineral.

Cavitation in Amorphous Solids

NASA Astrophysics Data System (ADS)

Guan, Pengfei; Lu, Shuo; Spector, Michael J. B.; Valavala, Pavan K.; Falk, Michael L.

2013-05-01

Molecular dynamics simulations of cavitation in a Zr50Cu50 metallic glass exhibit a waiting time dependent cavitation rate. On short time scales nucleation rates and critical cavity sizes are commensurate with a classical theory of nucleation that accounts for both the plastic dissipation during cavitation and the cavity size dependence of the surface energy. All but one parameter, the Tolman length, can be extracted directly from independent calculations or estimated from physical principles. On longer time scales strain aging in the form of shear relaxations results in a systematic decrease of cavitation rate. The high cavitation rates that arise due to the suppression of the surface energy in small cavities provide a possible explanation for the quasibrittle fracture observed in metallic glasses.

Smoothing metallic glasses without introducing crystallization by gas cluster ion beam

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

Shao, Lin; Chen, Di; Myers, Michael

2013-03-11

We show that 30 keV Ar cluster ion bombardment of Ni{sub 52.5}Nb{sub 10}Zr{sub 15}Ti{sub 15}Pt{sub 7.5} metallic glass (MG) can remove surface mountain-like features and reduce the root mean square surface roughness from 12 nm to 0.7 nm. X-ray diffraction analysis reveals no crystallization after cluster ion irradiation. Molecular dynamics simulations show that, although damage cascades lead to local melting, the subsequent quenching rate is a few orders of magnitude higher than the critical cooling rate for MG formation, thus the melted zone retains its amorphous nature down to room temperature. These findings can be applied to obtain ultra-smooth MGsmore » without introducing crystallization.« less

Mapping and Visualization of Storm-Surge Dynamics for Hurricane Katrina and Hurricane Rita

USGS Publications Warehouse

Gesch, Dean B.

2009-01-01

The damages caused by the storm surges from Hurricane Katrina and Hurricane Rita were significant and occurred over broad areas. Storm-surge maps are among the most useful geospatial datasets for hurricane recovery, impact assessments, and mitigation planning for future storms. Surveyed high-water marks were used to generate a maximum storm-surge surface for Hurricane Katrina extending from eastern Louisiana to Mobile Bay, Alabama. The interpolated surface was intersected with high-resolution lidar elevation data covering the study area to produce a highly detailed digital storm-surge inundation map. The storm-surge dataset and related data are available for display and query in a Web-based viewer application. A unique water-level dataset from a network of portable pressure sensors deployed in the days just prior to Hurricane Rita's landfall captured the hurricane's storm surge. The recorded sensor data provided water-level measurements with a very high temporal resolution at surveyed point locations. The resulting dataset was used to generate a time series of storm-surge surfaces that documents the surge dynamics in a new, spatially explicit way. The temporal information contained in the multiple storm-surge surfaces can be visualized in a number of ways to portray how the surge interacted with and was affected by land surface features. Spatially explicit storm-surge products can be useful for a variety of hurricane impact assessments, especially studies of wetland and land changes where knowledge of the extent and magnitude of storm-surge flooding is critical.

Dynamics and reactivity of trapped electrons on supported ice crystallites.

PubMed

Stähler, Julia; Gahl, Cornelius; Wolf, Martin

2012-01-17

The solvation dynamics and reactivity of localized excess electrons in aqueous environments have attracted great attention in many areas of physics, chemistry, and biology. This manifold attraction results from the importance of water as a solvent in nature as well as from the key role of low-energy electrons in many chemical reactions. One prominent example is the electron-induced dissociation of chlorofluorocarbons (CFCs). Low-energy electrons are also critical in the radiation chemistry that occurs in nuclear reactors. Excess electrons in an aqueous environment are localized and stabilized by the local rearrangement of the surrounding water dipoles. Such solvated or hydrated electrons are known to play an important role in systems such as biochemical reactions and atmospheric chemistry. Despite numerous studies over many years, little is known about the microscopic details of these electron-induced chemical processes, and interest in the fundamental processes involved in the reactivity of trapped electrons continues. In this Account, we present a surface science study of the dynamics and reactivity of such localized low-energy electrons at D(2)O crystallites that are supported by a Ru(001) single crystal metal surface. This approach enables us to investigate the generation and relaxation dynamics as well as dissociative electron attachment (DEA) reaction of excess electrons under well-defined conditions. They are generated by photoexcitation in the metal template and transferred to trapping sites at the vacuum interface of crystalline D(2)O islands. In these traps, the electrons are effectively decoupled from the electronic states of the metal template, leading to extraordinarily long excited state lifetimes on the order of minutes. Using these long-lived, low-energy electrons, we study the DEA to CFCl(3) that is coadsorbed at very low concentrations (∼10(12) cm(-2)). Using rate equations and direct measurement of the change of surface dipole moment, we estimated the electron surface density for DEA, yielding cross sections that are orders of magnitude higher than the electron density measured in the gas phase.

Singular reduction of resonant Hamiltonians

NASA Astrophysics Data System (ADS)

Meyer, Kenneth R.; Palacián, Jesús F.; Yanguas, Patricia

2018-06-01

We investigate the dynamics of resonant Hamiltonians with n degrees of freedom to which we attach a small perturbation. Our study is based on the geometric interpretation of singular reduction theory. The flow of the Hamiltonian vector field is reconstructed from the cross sections corresponding to an approximation of this vector field in an energy surface. This approximate system is also built using normal forms and applying reduction theory obtaining the reduced Hamiltonian that is defined on the orbit space. Generically, the reduction is of singular character and we classify the singularities in the orbit space, getting three different types of singular points. A critical point of the reduced Hamiltonian corresponds to a family of periodic solutions in the full system whose characteristic multipliers are approximated accordingly to the nature of the critical point.

Hydrologic processes governing near surface saturation of alpine wetlands in the Canadian Rockies

NASA Astrophysics Data System (ADS)

Westbrook, C.; Mercer, J.

2016-12-01

Alpine wetlands are vital for habitat, biodiversity, carbon cycling and water storage, but little is known about their hydrologic condition. Climate trends toward smaller mountain snowpacks that melt earlier are thought to pose a threat to the continued provision of alpine wetland ecological functions, and their existence, as it is believed they derive their water mainly from snowmelt. Our objective was to determine the hydrologic processes governing near surface saturation in alpine wetlands. We monitored the water table dynamics of three alpine wetlands in contrasting hydrogeomorphic landscape positions for two summers in Banff National Park, Canada. We concurrently monitored water balance components, and analyzed soil properties and source water geochemistry. Despite very different snow conditions between the two study years, water tables remained near the surface and relatively stable in both years, indicating wetlands are more hydrologically buffered from snowpack variations than expected. We did not find convincing evidence of hydrogeomorphic position influencing wetland water table dynamics. Instead, peat thickness seemed to be critical in regulating water table as the wetland with the thickest peat soil (>1 m) maintained water tables closest to the ground surface for the longest period of time. Thicker peat deposits may develop under convergent hydrologic flow path conditions. Our results indicate that alpine wetlands are more resilient to shifting environmental conditions than previously reported.

Effect of diameter of metal nanowires on pool boiling heat transfer with FC-72

NASA Astrophysics Data System (ADS)

Kumar G., Udaya; S., Suresh; M. R., Thansekhar; Babu P., Dinesh

2017-11-01

Effect of varying diameter of metal nanowires on pool boiling heat transfer performance is presented in this study. Copper nanowires (CuNWs) of four different diameters (∼35 nm, ∼70 nm, ∼130 nm and ∼200 nm) were grown directly on copper specimen using template-based electrodeposition technique. Both critical heat flux (CHF) and boiling heat transfer coefficient (h) were found to be improved in surfaces with nanowires as compared to the bare copper surface. Moreover, both the parameters were found to increase with increasing diameter of the nanowires. The percentage increases observed in CHF for the samples with nanowires were 38.37%, 40.16%, 48.48% and 45.57% whereas the percentage increase in the heat transfer coefficient were 86.36%, 95.45%, 184.1% and 131.82% respectively as compared to the bare copper surface. Important reasons believed for this enhancement were improvement in micron scale cavity density and cavity size which arises as a result of the coagulation and grouping of nanowires during the drying process. In addition to this, superhydrophilic nature, capillary effect, and enhanced bubble dynamics parameters (bubble frequency, bubble departure diameter, and nucleation site density) were found to be the concurring mechanisms responsible for this enhancement in heat transfer performance. Qualitative bubble dynamics analysis was done for the surfaces involved and the visual observations are provided to support the results presented and discussed.

The role of a-axis grains in the transition to the normal state of YBa{sub 2}Cu{sub 3}O{sub 7−δ} films and of 2G-coated conductors when induced by high electrical current densities

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

Bernstein, P., E-mail: pierre.bernstein@ensicaen.fr; Harnois, C.; Mc Loughlin, C.

The influence of surface defects, in particular of a-axis grains, on the transition to the normal state induced by high current densities in YBa{sub 2}Cu{sub 3}O{sub 7−δ} (YBCO) thin films and in a commercial 2G-coated conductor is investigated. For that purpose, the surface of the samples is observed by scanning electron microscopy and isothermal current-voltage curves are measured at different temperatures with pulsed currents up to the quenching value I*. The results show that the ratio of I* to the critical current is large if a-axis grains are not visible at the surface of the YBCO films, while it ismore » much lower if the surface includes a-axis grains as this is the case for the coated conductor. The connection between the transition onset and the vortex dynamics, as well as the role of the a-axis grains in this process are discussed. The relation between the I* values obtained from thermal calculations and those resulting from vortex dynamics considerations is also discussed, as well as the possible consequences suggested by this work for the different applications of the coated conductors.« less

Controlled calculation of the thermal conductivity for a spinon Fermi surface coupled to a U(1) gauge field

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

Freire, Hermann, E-mail: hfreire@mit.edu

2014-10-15

Motivated by recent transport measurements on the candidate spin-liquid phase of the organic triangular lattice insulator EtMe{sub 3}Sb[Pd(dmit){sub 2}]{sub 2}, we perform a controlled calculation of the thermal conductivity at intermediate temperatures in a spin liquid system where a spinon Fermi surface is coupled to a U(1) gauge field. The present computation builds upon the double expansion approach developed by Mross et al. (2010) for small ϵ=z{sub b}−2 (where z{sub b} is the dynamical critical exponent of the gauge field) and large number of fermionic species N. Using the so-called memory matrix formalism that most crucially does not assume the existencemore » of well-defined quasiparticles at low energies in the system, we calculate the temperature dependence of the thermal conductivity κ of this model due to non-critical Umklapp scattering of the spinons for a finite N and small ϵ. Then we discuss the physical implications of such theoretical result in connection with the experimental data available in the literature.« less

The Putative Liquid-Liquid Transition is a Liquid-Solid Transition in Atomistic Models of Water

NASA Astrophysics Data System (ADS)

Chandler, David; Limmer, David

2013-03-01

Our detailed and controlled studies of free energy surfaces for models of water find no evidence for reversible polyamorphism, and a general theoretical analysis of the phase behavior of cold water in nano pores shows that measured behaviors of these systems reflect surface modulation and dynamics of ice, not a liquid-liquid critical point. A few workers reach different conclusions, reporting evidence of a liquid-liquid critical point in computer simulations of supercooled water. In some cases, it appears that these contrary results are based upon simulation algorithms that are inconsistent with principles of statistical mechanics, such as using barostats that do not reproduce the correct distribution of volume fluctuations. In other cases, the results appear to be associated with difficulty equilibrating the supercooled material and mistaking metastability for coarsening of the ordered ice phase. In this case, sufficient information is available for us to reproduce the contrary results and to establish that they are artifacts of finite time sampling. This finding leads us to the conclusion that two distinct, reversible liquid phases do not exist in models of supercooled water.

Enhanced interfacial deformation in a Marangoni flow: A measure of the dynamical surface tension

NASA Astrophysics Data System (ADS)

Leite Pinto, Rodrigo; Le Roux, Sébastien; Cantat, Isabelle; Saint-Jalmes, Arnaud

2018-02-01

We investigate the flows and deformations resulting from the deposition of a water soluble surfactant at a bare oil-water interface. Once the surfactant is deposited, we show that the oil-water interface is deformed with a water bump rising upward into the oil. For a given oil, the maximal deformation—located at the surfactant deposition point—decreases with the oil-layer thickness. We also observe a critical oil-layer thickness below which the deformation becomes as large as the oil layer, leading to the rupture of this layer and an oil-water dewetting. Experimentally, it is found that this critical thickness depends on the oil density and viscosity. We then provide an analytical modelization that explains quantitatively all these experimental features. In particular, our analysis allows us to derive an analytical relationship between the vertical profile of the oil-water interface and the in-plane surface tension profile. Therefore, we propose that the monitoring of the interface vertical shape can be used as a new spatially resolved tensiometry technique.

Aerodynamic heating environment definition/thermal protection system selection for the HL-20

NASA Astrophysics Data System (ADS)

Wurster, K. E.; Stone, H. W.

1993-09-01

Definition of the aerothermal environment is critical to any vehicle such as the HL-20 Personnel Launch System that operates within the hypersonic flight regime. Selection of an appropriate thermal protection system design is highly dependent on the accuracy of the heating-environment prediction. It is demonstrated that the entry environment determines the thermal protection system design for this vehicle. The methods used to predict the thermal environment for the HL-20 Personnel Launch System vehicle are described. Comparisons of the engineering solutions with computational fluid dynamic predictions, as well as wind-tunnel test results, show good agreement. The aeroheating predictions over several critical regions of the vehicle, including the stagnation areas of the nose and leading edges, windward centerline and wing surfaces, and leeward surfaces, are discussed. Results of predictions based on the engineering methods found within the MINIVER aerodynamic heating code are used in conjunction with the results of the extensive wind-tunnel tests on this configuration to define a flight thermal environment. Finally, the selection of the thermal protection system based on these predictions and current technology is described.

International Critical Zone Science: Opportunities to Build a Global Understanding of Land-Water Linkages

NASA Astrophysics Data System (ADS)

McDowell, W. H.

2015-12-01

Critical Zone science examines the structure and properties of the thin veneer that links surface properties to deep geology, at time scales of seconds to millennia. One of the fundamental premises of the US Critical Zone Observatories program is that CZOs should include some measurements made in common at all sites, as these common measurements will enable us to make stronger inferences about how the structure and function of the critical zone interact to drive key processes such as soil formation, stream flow generation, and nutrient export. Recent advances in real-time sensors provide new opportunities to address some fundamental questions about how hillslope soils and streams are linked. Data from the Luquillo Critical Zone Observatory in Puerto Rico, for example, document a previously undescribed transition, or flipping, of stream and soil biogeochemistry in a tropical rain forest. Under typical conditions, soil moisture is high and soil oxygen content is often low, especially at depth. Streams, in contrast, are typically near oxygen saturation. Under severe drought, however, oxygen increases dramatically in soil air and declines to values that are well below saturation in streams. This flipping in redox conditions suggests that despite the strong hydrologic connection between hillslope and stream, gas dynamics and potentially solute dynamics are decoupled along the flow path. The international CZO community has the opportunity to develop a suite of sensor arrays to document soil air, groundwater chemistry, and stream water chemistry. Progress towards realizing the potential of these international networks to develop coherent sensor programs will be addressed based on the current status of sensor deployments in CZO networks in the US, China, and Europe.

Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge

NASA Astrophysics Data System (ADS)

Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

2018-04-01

Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm2, the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.

Oil Contact Angles in a Water-Decane-Silicon Dioxide System: Effects of Surface Charge.

PubMed

Xu, Shijing; Wang, Jingyao; Wu, Jiazhong; Liu, Qingjie; Sun, Chengzhen; Bai, Bofeng

2018-04-19

Oil wettability in the water-oil-rock systems is very sensitive to the evolution of surface charges on the rock surfaces induced by the adsorption of ions and other chemical agents in water flooding. Through a set of large-scale molecular dynamics simulations, we reveal the effects of surface charge on the oil contact angles in an ideal water-decane-silicon dioxide system. The results show that the contact angles of oil nano-droplets have a great dependence on the surface charges. As the surface charge density exceeds a critical value of 0.992 e/nm 2 , the contact angle reaches up to 78.8° and the water-wet state is very apparent. The variation of contact angles can be confirmed from the number density distributions of oil molecules. With increasing the surface charge density, the adsorption of oil molecules weakens and the contact areas between nano-droplets and silicon dioxide surface are reduced. In addition, the number density distributions, RDF distributions, and molecular orientations indicate that the oil molecules are adsorbed on the silicon dioxide surface layer-by-layer with an orientation parallel to the surface. However, the layered structure of oil molecules near the silicon dioxide surface becomes more and more obscure at higher surface charge densities.

Surface-Controlled Properties of Myosin Studied by Electric Field Modulation.

PubMed

van Zalinge, Harm; Ramsey, Laurence C; Aveyard, Jenny; Persson, Malin; Mansson, Alf; Nicolau, Dan V

2015-08-04

The efficiency of dynamic nanodevices using surface-immobilized protein molecular motors, which have been proposed for diagnostics, drug discovery, and biocomputation, critically depends on the ability to precisely control the motion of motor-propelled, individual cytoskeletal filaments transporting cargo to designated locations. The efficiency of these devices also critically depends on the proper function of the propelling motors, which is controlled by their interaction with the surfaces they are immobilized on. Here we use a microfluidic device to study how the motion of the motile elements, i.e., actin filaments propelled by heavy mero-myosin (HMM) motor fragments immobilized on various surfaces, is altered by the application of electrical loads generated by an external electric field with strengths ranging from 0 to 8 kVm(-1). Because the motility is intimately linked to the function of surface-immobilized motors, the study also showed how the adsorption properties of HMM on various surfaces, such as nitrocellulose (NC), trimethylclorosilane (TMCS), poly(methyl methacrylate) (PMMA), poly(tert-butyl methacrylate) (PtBMA), and poly(butyl methacrylate) (PBMA), can be characterized using an external field. It was found that at an electric field of 5 kVm(-1) the force exerted on the filaments is sufficient to overcome the frictionlike resistive force of the inactive motors. It was also found that the effect of assisting electric fields on the relative increase in the sliding velocity was markedly higher for the TMCS-derivatized surface than for all other polymer-based surfaces. An explanation of this behavior, based on the molecular rigidity of the TMCS-on-glass surfaces as opposed to the flexibility of the polymer-based ones, is considered. To this end, the proposed microfluidic device could be used to select appropriate surfaces for future lab-on-a-chip applications as illustrated here for the almost ideal TMCS surface. Furthermore, the proposed methodology can be used to gain fundamental insights into the functioning of protein molecular motors, such as the force exerted by the motors under different operational conditions.

Modeling the Dynamics of the Atmospheric Boundary Layer Over the Antarctic Plateau With a General Circulation Model

NASA Astrophysics Data System (ADS)

Vignon, Etienne; Hourdin, Frédéric; Genthon, Christophe; Van de Wiel, Bas J. H.; Gallée, Hubert; Madeleine, Jean-Baptiste; Beaumet, Julien

2018-01-01

Observations evidence extremely stable boundary layers (SBL) over the Antarctic Plateau and sharp regime transitions between weakly and very stable conditions. Representing such features is a challenge for climate models. This study assesses the modeling of the dynamics of the boundary layer over the Antarctic Plateau in the LMDZ general circulation model. It uses 1 year simulations with a stretched-grid over Dome C. The model is nudged with reanalyses outside of the Dome C region such as simulations can be directly compared to in situ observations. We underline the critical role of the downward longwave radiation for modeling the surface temperature. LMDZ reasonably represents the near-surface seasonal profiles of wind and temperature but strong temperature inversions are degraded by enhanced turbulent mixing formulations. Unlike ERA-Interim reanalyses, LMDZ reproduces two SBL regimes and the regime transition, with a sudden increase in the near-surface inversion with decreasing wind speed. The sharpness of the transition depends on the stability function used for calculating the surface drag coefficient. Moreover, using a refined vertical grid leads to a better reversed "S-shaped" relationship between the inversion and the wind. Sudden warming events associated to synoptic advections of warm and moist air are also well reproduced. Near-surface supersaturation with respect to ice is not allowed in LMDZ but the impact on the SBL structure is moderate. Finally, climate simulations with the free model show that the recommended configuration leads to stronger inversions and winds over the ice-sheet. However, the near-surface wind remains underestimated over the slopes of East-Antarctica.

Fluorogenic Green-Inside Red-Outside (GIRO) Labeling Approach Reveals Adenylyl Cyclase-Dependent Control of BKα Surface Expression

PubMed Central

2015-01-01

The regulation of surface levels of protein is critical for proper cell function and influences properties including cell adhesion, ion channel contributions to current flux, and the sensitivity of surface receptors to ligands. Here we demonstrate a two-color labeling system in live cells using a single fluorogen activating peptide (FAP) based fusion tag, which enables the rapid and simultaneous quantification of surface and internal proteins. In the nervous system, BK channels can regulate neural excitability and neurotransmitter release, and the surface trafficking of BK channels can be modulated by signaling cascades and assembly with accessory proteins. Using this labeling approach, we examine the dynamics of BK channel surface expression in HEK293 cells. Surface pools of the pore-forming BKα subunit were stable, exhibiting a plasma membrane half-life of >10 h. Long-term activation of adenylyl cyclase by forskolin reduced BKα surface levels by 30%, an effect that could not be attributed to increased bulk endocytosis of plasma membrane proteins. This labeling approach is compatible with microscopic imaging and flow cytometry, providing a solid platform for examining protein trafficking in living cells. PMID:26301573

Microbial Life in Soil - Linking Biophysical Models with Observations

NASA Astrophysics Data System (ADS)

Or, Dani; Tecon, Robin; Ebrahimi, Ali; Kleyer, Hannah; Ilie, Olga; Wang, Gang

2015-04-01

Microbial life in soil occurs within fragmented aquatic habitats formed in complex pore spaces where motility is restricted to short hydration windows (e.g., following rainfall). The limited range of self-dispersion and physical confinement promote spatial association among trophically interdepended microbial species. Competition and preferences for different nutrient resources and byproducts and their diffusion require high level of spatial organization to sustain the functioning of multispecies communities. We report mechanistic modeling studies of competing multispecies microbial communities grown on hydrated surfaces and within artificial soil aggregates (represented by 3-D pore network). Results show how trophic dependencies and cell-level interactions within patchy diffusion fields promote spatial self-organization of motile microbial cells. The spontaneously forming patterns of segregated, yet coexisting species were robust to spatial heterogeneities and to temporal perturbations (hydration dynamics), and respond primarily to the type of trophic dependencies. Such spatially self-organized consortia may reflect ecological templates that optimize substrate utilization and could form the basic architecture for more permanent surface-attached microbial colonies. Hydration dynamics affect structure and spatial arrangement of aerobic and anaerobic microbial communities and their biogeochemical functions. Experiments with well-characterized artificial soil microbial assemblies grown on porous surfaces provide access to community dynamics during wetting and drying cycles detected through genetic fingerprinting. Experiments for visual observations of spatial associations of tagged bacterial species with known trophic dependencies on model porous surfaces are underway. Biophysical modeling provide a means for predicting hydration-mediated critical separation distances for activation of spatial self-organization. The study provides new modeling and observational tools that enable new mechanistic insights into how differences in substrate affinities among microbial species and soil micro-hydrological conditions may give rise to a remarkable spatial and functional order in an extremely heterogeneous soil microbial world

Microbial Life in Soil - Linking Biophysical Models with Observations

NASA Astrophysics Data System (ADS)

Or, D.; Tecon, R.; Ebrahimi, A.; Kleyer, H.; Ilie, O.; Wang, G.

2014-12-01

Microbial life in soil occurs within fragmented aquatic habitats in complex pore spaces where motility is restricted to short hydration windows (e.g., following rainfall). The limited range of self-dispersion and physical confinement promote spatial association among trophically interdepended microbial species. Competition and preferences for different nutrient resources and byproducts and their diffusion require high level of spatial organization to sustain the functioning of multispecies communities. We report mechanistic modeling studies of competing multispecies microbial communities grown on hydrated surfaces and within artificial soil aggregates (represented by 3-D pore network). Results show how trophic dependencies and cell-level interactions within patchy diffusion fields promote spatial self-organization of motile microbial cells. The spontaneously forming patterns of segregated, yet coexisting species were robust to spatial heterogeneities and to temporal perturbations (hydration dynamics), and respond primarily to the type of trophic dependencies. Such spatially self-organized consortia may reflect ecological templates that optimize substrate utilization and could form the basic architecture for more permanent surface-attached microbial colonies. Hydration dynamics affect structure and spatial arrangement of aerobic and anaerobic microbial communities and their biogeochemical functions. Experiments with well-characterized artificial soil microbial assemblies grown on porous surfaces provide access to community dynamics during wetting and drying cycles detected through genetic fingerprinting. Experiments for visual observations of spatial associations of tagged bacterial species with known trophic dependencies on model porous surfaces are underway. Biophysical modeling provide a means for predicting hydration-mediated critical separation distances for activation of spatial self-organization. The study provides new modeling and observational tools that enable new mechanistic insights into how differences in substrate affinities among microbial species and soil micro-hydrological conditions may give rise to a remarkable spatial and functional order in an extremely heterogeneous soil microbial world.

Structure and Li+ ion transport in a mixed carbonate/LiPF6 electrolyte near graphite electrode surfaces: a molecular dynamics study.

PubMed

Boyer, Mathew J; Vilčiauskas, Linas; Hwang, Gyeong S

2016-10-12

Electrolyte and electrode materials used in lithium-ion batteries have been studied separately to a great extent, however the structural and dynamical properties of the electrolyte-electrode interface still remain largely unexplored despite its critical role in governing battery performance. Using molecular dynamics simulations, we examine the structural reorganization of solvent molecules (cyclic ethylene carbonate : linear dimethyl carbonate 1 : 1 molar ratio doped with 1 M LiPF 6 ) in the vicinity of graphite electrodes with varying surface charge densities (σ). The interfacial structure is found to be sensitive to the molecular geometry and polarity of each solvent molecule as well as the surface structure and charge distribution of the negative electrode. We also evaluated the potential difference across the electrolyte-electrode interface, which exhibits a nearly linear variation with respect to σ up until the onset of Li + ion accumulation onto the graphite edges from the electrolyte. In addition, well-tempered metadynamics simulations are employed to predict the free-energy barriers to Li + ion transport through the relatively dense interfacial layer, along with analysis of the Li + solvation sheath structure. Quantitative analysis of the molecular arrangements at the electrolyte-electrode interface will help better understand and describe electrolyte decomposition, especially in the early stages of solid-electrolyte-interphase (SEI) formation. Moreover, the computational framework presented in this work offers a means to explore the effects of solvent composition, electrode surface modification, and operating temperature on the interfacial structure and properties, which may further assist in efforts to engineer the electrolyte-electrode interface leading to a SEI layer that optimizes battery performance.

Well-defined critical association concentration and rapid adsorption at the air/water interface of a short amphiphilic polymer, amphipol A8-35: a study by Förster resonance energy transfer and dynamic surface tension measurements.

PubMed

Giusti, Fabrice; Popot, Jean-Luc; Tribet, Christophe

2012-07-17

Amphipols (APols) are short amphiphilic polymers designed to handle membrane proteins (MPs) in aqueous solutions as an alternative to small surfactants (detergents). APols adsorb onto the transmembrane, hydrophobic surface of MPs, forming small, water-soluble complexes, in which the protein is biochemically stabilized. At variance with MP/detergent complexes, MP/APol ones remain stable even at extreme dilutions. Pure APol solutions self-associate into well-defined micelle-like globules comprising a few APol molecules, a rather unusual behavior for amphiphilic polymers, which typically form ill-defined assemblies. The best characterized APol to date, A8-35, is a random copolymer of acrylic acid, isopropylacrylamide, and octylacrylamide. In the present work, the concentration threshold for self-association of A8-35 in salty buffer (NaCl 100 mM, Tris/HCl 20 mM, pH 8.0) has been studied by Förster resonance energy transfer (FRET) measurements and tensiometry. In a 1:1 mol/mol mixture of APols grafted with either rhodamine or 7-nitro-1,2,3-benzoxadiazole, the FRET signal as a function of A8-35 concentration is essentially zero below a threshold concentration of 0.002 g·L(-1) and increases linearly with concentration above this threshold. This indicates that assembly takes place in a narrow concentration interval around 0.002 g·L(-1). Surface tension measurements decreases regularly with concentration until a threshold of ca. 0.004 g·L(-1), beyond which it reaches a plateau at ca. 30 mN·m(-1). Within experimental uncertainties, the two techniques thus yield a comparable estimate of the critical self-assembly concentration. The kinetics of variation of the surface tension was analyzed by dynamic surface tension measurements in the time window 10 ms-100 s. The rate of surface tension decrease was similar in solutions of A8-35 and of the anionic surfactant sodium dodecylsulfate when both compounds were at a similar molar concentration of n-alkyl moieties. Overall, the solution properties of APol "micelles" (in salty buffer) appear surprisingly similar to those of the micelles formed by small, nonpolymeric surfactants, a feature that was not anticipated owing to the polymeric and polydisperse nature of A8-35. The key to the remarkable stability to dilution of A8-35 globules, likely to include also that of MP/APol complexes, lies accordingly in the low value of the critical self-association concentration as compared to that of small amphiphilic analogues.

Evaluation of left ventricular assist device pump bladders cast from ion-sputtered polytetrafluorethylene mandrels

NASA Technical Reports Server (NTRS)

1982-01-01

A highly thromboresistant blood contacting interface for use in implanatable blood pump is investigated. Biomaterials mechanics, dynamics, durability, surface morphology, and chemistry are among the critical consideration pertinent to the choice of an appropriate blood pump bladder material. The use of transfer cast biopolymers from ion beam textured surfaces is investigated to detect subtle variations in blood pump surface morphology using Biomer as the biomaterial of choice. The efficacy of ion beam sputtering as an acceptable method of fabricating textured blood interfaces is evaluated. Aortic grafts and left ventricular assist devices were implanted in claves; the blood interfaces were fabricated by transfer casting methods from ion beam textured polytetrafluorethylene mandrels. The mandrels were textured by superimposing a 15 micron screen mesh; ion sputtering conditions were 300 volts beam energy, 40 to 50 mA beam, and a mandrel to source distance of 25 microns.

Human seizures self-terminate across spatial scales via a critical transition.

PubMed

Kramer, Mark A; Truccolo, Wilson; Eden, Uri T; Lepage, Kyle Q; Hochberg, Leigh R; Eskandar, Emad N; Madsen, Joseph R; Lee, Jong W; Maheshwari, Atul; Halgren, Eric; Chu, Catherine J; Cash, Sydney S

2012-12-18

Why seizures spontaneously terminate remains an unanswered fundamental question of epileptology. Here we present evidence that seizures self-terminate via a discontinuous critical transition or bifurcation. We show that human brain electrical activity at various spatial scales exhibits common dynamical signatures of an impending critical transition--slowing, increased correlation, and flickering--in the approach to seizure termination. In contrast, prolonged seizures (status epilepticus) repeatedly approach, but do not cross, the critical transition. To support these results, we implement a computational model that demonstrates that alternative stable attractors, representing the ictal and postictal states, emulate the observed dynamics. These results suggest that self-terminating seizures end through a common dynamical mechanism. This description constrains the specific biophysical mechanisms underlying seizure termination, suggests a dynamical understanding of status epilepticus, and demonstrates an accessible system for studying critical transitions in nature.

Great differences in the critical erosion threshold between surface and subsurface sediments: A field investigation of an intertidal mudflat, Jiangsu, China

NASA Astrophysics Data System (ADS)

Shi, Benwei; Wang, Ya Ping; Wang, Li Hua; Li, Peng; Gao, Jianhua; Xing, Fei; Chen, Jing Dong

2018-06-01

Understanding of bottom sediment erodibility is necessary for the sustainable management and protection of coastlines, and is of great importance for numerical models of sediment dynamics and transport. To investigate the dependence of sediment erodibility on degree of consolidation, we measured turbidity, waves, tidal currents, intratidal bed-level changes, and sediment properties on an exposed macrotidal mudflat during a series of tidal cycles. We estimated the water content of surface sediments (in the uppermost 2 cm of sediment) and sub-surface sediments (at 2 cm below the sediment surface). Bed shear stress values due to currents (τc), waves (τw), and combined current-wave action (τcw) were calculated using a hydrodynamic model. In this study, we estimate the critical shear stress for erosion using two approaches and both of them give similar results. We found that the critical shear stress for erosion (τce) was 0.17-0.18 N/m2 in the uppermost 0-2 cm of sediment and 0.29 N/m2 in sub-surface sediment layers (depth, 2 cm), as determined by time series of τcw values and intratidal bed-level changes, and values of τce, obtained using the water content of bottom sediments, were 0.16 N/m2 in the uppermost 2 cm and 0.28 N/m2 in the sub-surface (depth, 2 cm) sediment. These results indicate that the value of τce for sub-surface sediments (depth, 2 cm) is much greater than that for the uppermost sediments (depth, 0-2 cm), and that the τce value is mainly related to the water content, which is determined by the extent of consolidation. Our results have implications for improving the predictive accuracy of models of sediment transport and morphological evolution, by introducing variable τce values for corresponding sediment layers, and can also provide a mechanistic understanding of bottom sediment erodibility at different sediment depths on intertidal mudflats, as related to differences in the consolidation time.

Dynamical Crossovers in Prethermal Critical States.

PubMed

Chiocchetta, Alessio; Gambassi, Andrea; Diehl, Sebastian; Marino, Jamir

2017-03-31

We study the prethermal dynamics of an interacting quantum field theory with an N-component order parameter and O(N) symmetry, suddenly quenched in the vicinity of a dynamical critical point. Depending on the initial conditions, the evolution of the order parameter, and of the response and correlation functions, can exhibit a temporal crossover between universal dynamical scaling regimes governed, respectively, by a quantum and a classical prethermal fixed point, as well as a crossover from a Gaussian to a non-Gaussian prethermal dynamical scaling. Together with a recent experiment, this suggests that quenches may be used in order to explore the rich variety of dynamical critical points occurring in the nonequilibrium dynamics of a quantum many-body system. We illustrate this fact by using a combination of renormalization group techniques and a nonperturbative large-N limit.

Understanding Greenland ice sheet hydrology using an integrated multi-scale approach

NASA Astrophysics Data System (ADS)

Rennermalm, A. K.; Moustafa, S. E.; Mioduszewski, J.; Chu, V. W.; Forster, R. R.; Hagedorn, B.; Harper, J. T.; Mote, T. L.; Robinson, D. A.; Shuman, C. A.; Smith, L. C.; Tedesco, M.

2013-03-01

Improved understanding of Greenland ice sheet hydrology is critically important for assessing its impact on current and future ice sheet dynamics and global sea level rise. This has motivated the collection and integration of in situ observations, model development, and remote sensing efforts to quantify meltwater production, as well as its phase changes, transport, and export. Particularly urgent is a better understanding of albedo feedbacks leading to enhanced surface melt, potential positive feedbacks between ice sheet hydrology and dynamics, and meltwater retention in firn. These processes are not isolated, but must be understood as part of a continuum of processes within an integrated system. This letter describes a systems approach to the study of Greenland ice sheet hydrology, emphasizing component interconnections and feedbacks, and highlighting research and observational needs.

Determination of Dynamic Recrystallization Process by Equivalent Strain

NASA Astrophysics Data System (ADS)

Qin, Xiaomei; Deng, Wei

Based on Tpнoвckiй's displacement field, equivalent strain expression was derived. And according to the dynamic recrystallization (DRX) critical strain, DRX process was determined by equivalent strain. It was found that equivalent strain distribution in deformed specimen is inhomogeneous, and it increases with increasing true strain. Under a certain true strain, equivalent strains at the center, demisemi radius or on tangential plane just below the surface of the specimen are higher than the true strain. Thus, micrographs at those positions can not exactly reflect the true microstructures under the certain true strain. With increasing strain rate, the initial and finish time of DRX decrease. The frozen microstructures of 20Mn23AlV steel with the experimental condition validate the feasibility of predicting DRX process by equivalent strain.

Snowmelt water drives higher soil erosion than rainfall water in a mid-high latitude upland watershed

NASA Astrophysics Data System (ADS)

Wu, Yuyang; Ouyang, Wei; Hao, Zengchao; Yang, Bowen; Wang, Li

2018-01-01

The impacts of precipitation and temperature on soil erosion are pronounced in mid-high latitude areas, which lead to seasonal variations in soil erosion. Determining the critical erosion periods and the reasons behind the increased erosion loads are essential for soil management decisions. Hence, integrated approaches combining experiments and modelling based on field investigations were applied to investigate watershed soil erosion characteristics and the dynamics of water movement through soils. Long-term and continuous data for surface runoff and soil erosion variation characteristics of uplands in a watershed were observed via five simulations by the Soil and Water Assessment Tool (SWAT). In addition, laboratory experiments were performed to quantify the actual soil infiltrabilities in snowmelt seasons (thawed treatment) and rainy seasons (non-frozen treatment). The results showed that over the course of a year, average surface runoff and soil erosion reached peak values of 31.38 mm and 1.46 t ha-1 a-1, respectively, in the month of April. They also ranked high in July and August, falling in the ranges of 23.73 mm to 24.91 mm and 0.55 t ha-1 a-1 to 0.59 t ha-1 a-1, respectively. With the infiltration time extended, thawed soils showed lower infiltrabilities than non-frozen soils, and the differences in soil infiltration amounts between these two were considerable. These results highlighted that soil erosion was very closely and positively correlated with surface runoff. Soil loss was higher in snowmelt periods than in rainy periods due to the higher surface runoff in early spring, and the decreased soil infiltrability in snowmelt periods contributed much to this higher surface runoff. These findings are helpful for identification of critical soil erosion periods when making soil management before critical months, especially those before snowmelt periods.

Electron affinity of liquid water

DOE PAGES

Gaiduk, Alex P.; Pham, Tuan Anh; Govoni, Marco; ...

2018-01-16

Understanding redox and photochemical reactions in aqueous environments requires a precise knowledge of the ionization potential and electron affinity of liquid water. The former has been measured, but not the latter. We predict the electron affinity of liquid water and of its surface from first principles, coupling path-integral molecular dynamics with ab initio potentials, and many-body perturbation theory. Our results for the surface (0.8 eV) agree well with recent pump-probe spectroscopy measurements on amorphous ice. Those for the bulk (0.1-0.3 eV) differ from several estimates adopted in the literature, which we critically revisit. We show that the ionization potential ofmore » the bulk and surface are almost identical; instead their electron affinities differ substantially, with the conduction band edge of the surface much deeper in energy than that of the bulk. We also discuss the significant impact of nuclear quantum effects on the fundamental gap and band edges of the liquid.« less

Electron affinity of liquid water

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

Gaiduk, Alex P.; Pham, Tuan Anh; Govoni, Marco

Understanding redox and photochemical reactions in aqueous environments requires a precise knowledge of the ionization potential and electron affinity of liquid water. The former has been measured, but not the latter. We predict the electron affinity of liquid water and of its surface from first principles, coupling path-integral molecular dynamics with ab initio potentials, and many-body perturbation theory. Our results for the surface (0.8 eV) agree well with recent pump-probe spectroscopy measurements on amorphous ice. Those for the bulk (0.1-0.3 eV) differ from several estimates adopted in the literature, which we critically revisit. We show that the ionization potential ofmore » the bulk and surface are almost identical; instead their electron affinities differ substantially, with the conduction band edge of the surface much deeper in energy than that of the bulk. We also discuss the significant impact of nuclear quantum effects on the fundamental gap and band edges of the liquid.« less

Entropy, Ergodicity, and Stem Cell Multipotency

NASA Astrophysics Data System (ADS)

Ridden, Sonya J.; Chang, Hannah H.; Zygalakis, Konstantinos C.; MacArthur, Ben D.

2015-11-01

Populations of mammalian stem cells commonly exhibit considerable cell-cell variability. However, the functional role of this diversity is unclear. Here, we analyze expression fluctuations of the stem cell surface marker Sca1 in mouse hematopoietic progenitor cells using a simple stochastic model and find that the observed dynamics naturally lie close to a critical state, thereby producing a diverse population that is able to respond rapidly to environmental changes. We propose an information-theoretic interpretation of these results that views cellular multipotency as an instance of maximum entropy statistical inference.

Safe-life and damage-tolerant design approaches for helicopter structures

NASA Technical Reports Server (NTRS)

Reddick, H. K., Jr.

1983-01-01

The safe-life and damage-tolerant design approaches discussed apply to both metallic and fibrous composite helicopter structures. The application of these design approaches to fibrous composite structures is emphasized. Safe-life and damage-tolerant criteria are applied to all helicopter flight critical components, which are generally categorized as: dynamic components with a main and tail rotor system, which includes blades, hub and rotating controls, and drive train which includes transmission, and main and interconnecting rotor shafts; and the airframe, composed of the fuselage, aerodynamic surfaces, and landing gear.

Remote Sensing for Hydrology: Surface Water Dynamics from Three Decades of Landsat Data

NASA Astrophysics Data System (ADS)

Tulbure, M. G.; Broich, M.; Kingsford, R.; Lucas, R.; Keith, D.

2014-12-01

Surface water is a vital resource affected by changes in climate and anthropogenic factors. Knowledge of surface water dynamics provides critical information for flood and drought management. Here we focused on the on the entire Murray-Darling Basin (MDB) of Australia, a large semi-arid region with scarce water resources, high hydroclimatic variability and competing water demands, impacted by climate change, altered flow regimes and land use changes. The MDB is also an area where substantial investment in environmental water allocation of large volumes of environmental flow was made. We used Landsat TM and ETM+ time series to synoptically map the dynamic of surface water extent with an internally consistent algorithm (Tulbure and Broich, 2013) over decades (1986-2011). We used a subset of Landsat path/rows for image training in both wet and dry years. Results show high interannual variability in number and size of flooded areas, with flooded areas during the Millennium Drought (until 2009) being substantially smaller than during the excessive 2010-2011 La Nina flooding. Flooding frequency in 2006, a very dry year was lower than in 2010, the La Nina year when extensive floods occurred. More developed areas of the basin showed different inter-annual patterns from natural areas of the basin. At Barmah-Millewa, the largest river red gum forest in the world, we also mapped flooded forest and tracked changes in NDVI. Higher NDVI values were found in areas more frequently flooded. Knowledge of the spatial and temporal dynamics of flooding and the response of riparian vegetation communities to flooding is important for management of floodplain wetlands and vegetation communities and for investigating effectiveness of environmental flows and flow regimes in the MDB. Existing maps of inundated areas are linked with river flow to quantify the relationship between river flow and inundated area in the MDB. Historic flood inundation extent mapped via remote sensing can be used to quantify spatially explicit changes in surface water dynamics and vegetation communities as outcomes of management scenarios in response to water management decisions. This methodology is globally applicable and relevant to areas prone to flooding with competing water demands and can be used for mapping water availability in data scarce regions.

Water Touch-and-Bounce from a Soft Viscoelastic Substrate: Wetting, Dewetting, and Rebound on Bitumen.

PubMed

Lee, Jae Bong; Dos Santos, Salomé; Antonini, Carlo

2016-08-16

Understanding the interaction between liquids and deformable solid surfaces is a fascinating fundamental problem, in which interaction and coupling of capillary and viscoelastic effects, due to solid substrate deformation, give rise to complex wetting mechanisms. Here we investigated as a model case the behavior of water drops on two smooth bitumen substrates with different rheological properties, defined as hard and soft (with complex shear moduli in the order of 10(7) and 10(5) Pa, respectively, at 1 Hz), focusing both on wetting and on dewetting behavior. By means of classical quasi-static contact angle measurements and drop impact tests, we show that the water drop behavior can significantly change from the quasi-static to the dynamic regime on soft viscoelastic surfaces, with the transition being defined by the substrate rheological properties. As a result, we also show that on the hard substrate, where the elastic response is dominant under all investigated conditions, classical quasi-static contact angle measurements provide consistent results that can be used to predict the drop dynamic wetting behavior, such as drop deposition or rebound after impact, as typically observed for nondeformable substrates. Differently, on soft surfaces, the formation of wetting ridges did not allow to define uniquely the substrate intrinsic advancing and receding contact angles. In addition, despite showing a high adhesion to the soft surface in quasi-static measurements, the drop was surprisingly able to rebound and escape from the surface after impact, as it is typically observed for hydrophobic surfaces. These results highlight that measurements of wetting properties for viscoelastic substrates need to be critically used and that wetting behavior of a liquid on viscoelastic surfaces is a function of the characteristic time scales.

Solution Properties of Dissymmetric Sulfonate-type Anionic Gemini Surfactants.

PubMed

Yoshimura, Tomokazu; Akiba, Kazuki

2016-01-01

Dissymmetric and symmetric anionic gemini surfactants, N-alkyl-N'-alkyl-N,N'dipropanesulfonylethylenediamine (CmCnSul, where m and n represent alkyl chain lengths of m-n = 4-16, 6-14, 8-12, 10-10, and 12-12), were synthesized by two- or three-step reactions. Their physicochemical properties were characterized by equilibrium surface tension measurements, steady-state fluorescence spectroscopy of pyrene, and dynamic light scattering. The critical micelle concentration (CMC) of the dissymmetric surfactants C4C16Sul, C6C14Sul, and C8C12Sul was slightly lower than that of the symmetric surfactant C10C10Sul. The occupied area per molecule (A) of C8C12Sul was smaller than that of C10C10Sul, indicating that C8C12Sul has a high surface activity. However, the increase in the degree of dissymmetry from C8C12Sul to C6C14Sul and then to C4C16Sul resulted in high surface tension and large A. Based on the surface tension, the standard free energies of micellization (∆G°mic) and adsorption (∆G°ads), the efficiency of surface adsorption (pC20), and the effectiveness of surface adsorption (CMC/C20) were obtained. These parameters suggested that C8C12Sul formed micelles more readily than the other surfactants. The properties determined from the surface tension indicated that C8C12Sul's ability is intermediate between those of C10C10Sul and C12C12Sul. The pyrene fluorescence and dynamic light scattering results revealed that the micelle size depends on the longer of the two alkyl chains in dissymmetric surfactants.

Land Surface Data Assimilation

NASA Astrophysics Data System (ADS)

Houser, P. R.

2012-12-01

Information about land surface water, energy and carbon conditions is of critical importance to real-world applications such as agricultural production, water resource management, flood prediction, water supply, weather and climate forecasting, and environmental preservation. While ground-based observational networks are improving, the only practical way to observe these land surface states on continental to global scales is via satellites. Remote sensing can make spatially comprehensive measurements of various components of the terrestrial system, but it cannot provide information on the entire system (e.g. evaporation), and the observations represent only an instant in time. Land surface process models may be used to predict temporal and spatial terrestrial dynamics, but these predictions are often poor, due to model initialization, parameter and forcing, and physics errors. Therefore, an attractive prospect is to combine the strengths of land surface models and observations (and minimize the weaknesses) to provide a superior terrestrial state estimate. This is the goal of land surface data assimilation. Data Assimilation combines observations into a dynamical model, using the model's equations to provide time continuity and coupling between the estimated fields. Land surface data assimilation aims to utilize both our land surface process knowledge, as embodied in a land surface model, and information that can be gained from observations. Both model predictions and observations are imperfect and we wish to use both synergistically to obtain a more accurate result. Moreover, both contain different kinds of information, that when used together, provide an accuracy level that cannot be obtained individually. Model biases can be mitigated using a complementary calibration and parameterization process. Limited point measurements are often used to calibrate the model(s) and validate the assimilation results. This presentation will provide a brief background on land surface observation, modeling and data assimilation, followed by a discussion of various hydrologic data assimilation challenges, and finally conclude with several land surface data assimilation case studies.

Modeling phosphorus losses from soils amended with cattle manures and chemical fertilizers.

PubMed

Wang, Zhaozhi; Zhang, T Q; Tan, C S; Vadas, P; Qi, Z M; Wellen, C

2018-05-22

While applied manure/fertilizer is an important source of P loss in surface runoff, few models simulate the direct transfer of phosphorus (P) from soil-surface-applied manure/fertilizer to surface runoff. The SurPhos model was tested with 2008-2010 growing season daily surface runoff data from clay loam experimental plots subject to different manure/fertilizer applications. Model performance was evaluated on the basis of the coefficient of determination (R 2 ), Nash-Sutcliffe efficiency (NSE), percent bias (PBIAS), and the ratio of the root mean square error to the standard deviation of observed values (RSR). The model offered an acceptable performance in simulating soil labile P dynamics (R 2  = 0.75, NSE = 0.55, PBIAS = 10.43%, and RSR = 0.67) and dissolved reactive P (DRP) loss in surface runoff (R 2  ≥ 0.74 and NSE ≥ 0.69) for both solid and liquid cattle manure, as well as inorganic fertilizer. Simulated direct P loss in surface runoff from solid and liquid cattle manure accounted for 39% and 40% of total growing season DRP losses in surface runoff. To compensate for the unavailability of daily surface runoff observations under snow melt condition, the whole four years' (2008-2011) daily surface runoff predicted by EPIC (Environmental Policy Integrated Climate) was used as SurPhos input. The accuracy of simulated DRP loss in surface runoff under the different manure/fertilizer treatments was acceptable (R 2  ≥ 0.55 and NSE ≥ 0.50). For the solid cattle manure treatment, of all annual DRP losses, 19% were derived directly from the manure. Beyond offering a reliable prediction of manure/fertilizer P loss in surface runoff, SurPhos quantified different sources of DRP loss and dynamic labile P in soil, allowing a better critical assessment of different P management measures' effectiveness in mitigating DRP losses. Copyright © 2018 Elsevier B.V. All rights reserved.

Influence of surfactants in forced dynamic dewetting.

PubMed

Henrich, Franziska; Fell, Daniela; Truszkowska, Dorota; Weirich, Marcel; Anyfantakis, Manos; Nguyen, Thi-Huong; Wagner, Manfred; Auernhammer, Günter K; Butt, Hans-Jürgen

2016-09-20

In this work we show that the forced dynamic dewetting of surfactant solutions depends sensitively on the surfactant concentration. To measure this effect, a hydrophobic rotating cylinder was horizontally half immersed in aqueous surfactant solutions. Dynamic contact angles were measured optically by extrapolating the contour of the meniscus to the contact line. Anionic (sodium 1-decanesulfonate, S-1DeS), cationic (cetyl trimethylammonium bromide, CTAB) and nonionic surfactants (C 4 E 1 , C 8 E 3 and C 12 E 5 ) with critical micelle concentrations (CMCs) spanning four orders of magnitude were used. The receding contact angle in water decreased with increasing velocity. This decrease was strongly enhanced when adding surfactant, even at surfactant concentrations of 10% of the critical micelle concentration. Plots of the receding contact angle-versus-velocity almost superimpose when being plotted at the same relative concentration (concentration/CMC). Thus the rescaled concentration is the dominating property for dynamic dewetting. The charge of the surfactants did not play a role, thus excluding electrostatic effects. The change in contact angle can be interpreted by local surface tension gradients, i.e. Marangoni stresses, close to the three-phase contact line. The decrease of dynamic contact angles with velocity follows two regimes. Despite the existence of Marangoni stresses close to the contact line, for a dewetting velocity above 1-10 mm s -1 the hydrodynamic theory is able to describe the experimental results for all surfactant concentrations. At slower velocities an additional steep decrease of the contact angle with velocity was observed. Particle tracking velocimetry showed that the flow profiles do not differ with and without surfactant on a scales >100 μm.

An elastic dimpling instability with Kosterlitz-Thouless character and a precursor role in creasing

NASA Astrophysics Data System (ADS)

Engstrom, Tyler; Paulsen, Joseph; Schwarz, Jennifer

Creasing instability, also known as sulcification, occurs in a variety of quasi-2d elastic systems subject to compressive plane strain, and has been proposed as a mechanism of brain folding. While the dynamics of pre-existing creases can be understood in terms of crack propagation, a detailed critical phenomena picture of the instability is lacking. We show that surface dimpling is an equilibrium phase transition, and can be described in a language of quasi-particle excitations conceptualized as ``ghost fibers'' within the shear lag model. Tension-compression pairs (dipoles) of ghost fibers are energetically favorable at low strains, and the pairs unbind at a critical compressive plane strain, analogously to vortices in the Kosterlitz-Thouless transition. This dimpling transition bears strong resemblance to the creasing instability. We argue that zero-length creases are ghost fibers, which are a special case of ``ghost slabs''. Critical strain of a ghost slab increases linearly with its length, and is independent of both shear modulus and system thickness.

Consideration of critical axial properties of pristine and defected carbon nanotubes under compression.

PubMed

Ranjbartoreh, A R; Su, D; Wang, G

2012-06-01

Carbon nanotubes are hexagonally configured carbon atoms in cylindrical structures. Exceptionally high mechanical strength, electrical conductivity, surface area, thermal stability and optical transparency of carbon nanotubes outperformed other known materials in numerous advanced applications. However, their mechanical behaviors under practical loading conditions remain to be demonstrated. This study investigates the critical axial properties of pristine and defected single- and multi-walled carbon nanotubes under axial compression. Molecular dynamics simulation method has been employed to consider the destructive effects of Stone-Wales and atom vacancy defects on mechanical properties of armchair and zigzag carbon nanotubes under compressive loading condition. Armchair carbon nanotube shows higher axial stability than zigzag type. Increase in wall number leads to less susceptibility of multi-walled carbon nanotubes to defects and higher stability of them under axial compression. Atom vacancy defect reveals higher destructive effect than Stone-Wales defect on mechanical properties of carbon nanotubes. Critical axial strain of single-walled carbon nanotube declines by 67% and 26% due to atom vacancy and Stone-Wales defects.

Airborne electromagnetic imaging of discontinuous permafrost

USGS Publications Warehouse

Minsley, B.J.; Abraham, J.D.; Smith, B.D.; Cannia, J.C.; Voss, C.I.; Jorgenson, M.T.; Walvoord, Michelle Ann; Wylie, B.K.; Anderson, L.; Ball, L.B.; Deszcz-Pan, M.; Wellman, T.P.; Ager, T.A.

2012-01-01

The evolution of permafrost in cold regions is inextricably connected to hydrogeologic processes, climate, and ecosystems. Permafrost thawing has been linked to changes in wetland and lake areas, alteration of the groundwater contribution to streamflow, carbon release, and increased fire frequency. But detailed knowledge about the dynamic state of permafrost in relation to surface and groundwater systems remains an enigma. Here, we present the results of a pioneering ∼1,800 line-kilometer airborne electromagnetic survey that shows sediments deposited over the past ∼4 million years and the configuration of permafrost to depths of ∼100 meters in the Yukon Flats area near Fort Yukon, Alaska. The Yukon Flats is near the boundary between continuous permafrost to the north and discontinuous permafrost to the south, making it an important location for examining permafrost dynamics. Our results not only provide a detailed snapshot of the present-day configuration of permafrost, but they also expose previously unseen details about potential surface – groundwater connections and the thermal legacy of surface water features that has been recorded in the permafrost over the past ∼1,000 years. This work will be a critical baseline for future permafrost studies aimed at exploring the connections between hydrogeologic, climatic, and ecological processes, and has significant implications for the stewardship of Arctic environments.

Movement, demographics, and occupancy dynamics of a federally-threatened salamander: evaluating the adequacy of critical habitat

PubMed Central

McEntire, Kira D.; Sissel, Blake N.

2016-01-01

Critical habitat for many species is often limited to occupied localities. For rare and cryptic species, or those lacking sufficient data, occupied habitats may go unrecognized, potentially hindering species recovery. Proposed critical habitat for the aquatic Jollyville Plateau salamander (Eurycea tonkawae) and two sister species were delineated based on the assumption that surface habitat is restricted to springs and excludes intervening stream reaches. To test this assumption, we performed two studies to understand aspects of individual, population, and metapopulation ecology of E. tonkawae. First, we examined movement and population demographics using capture-recapture along a spring-influenced stream reach. We then extended our investigation of stream habitat use with a study of occupancy and habitat dynamics in multiple headwater streams. Indications of extensive stream channel use based on capture-recapture results included frequent movements of >15 m, and high juvenile abundance downstream of the spring. Initial occupancy of E. tonkawae was associated with shallow depths, maidenhair fern presence and low temperature variation (indicative of groundwater influence), although many occupied sites were far from known springs. Additionally, previously dry sites were three times more likely to be colonized than wet sites. Our results indicate extensive use of stream habitats, including intermittent ones, by E. tonkawae. These areas may be important for maintaining population connectivity or even as primary habitat patches. Restricting critical habitat to occupied sites will result in a mismatch with actual habitat use, particularly when assumptions of habitat use are untested, thus limiting the potential for recovery. PMID:26998413

A hybrid 2D/3D inspection concept with smart routing optimisation for high throughput, high dynamic range and traceable critical dimension metrology

NASA Astrophysics Data System (ADS)

Jones, Christopher W.; O’Connor, Daniel

2018-07-01

Dimensional surface metrology is required to enable advanced manufacturing process control for products such as large-area electronics, microfluidic structures, and light management films, where performance is determined by micrometre-scale geometry or roughness formed over metre-scale substrates. While able to perform 100% inspection at a low cost, commonly used 2D machine vision systems are insufficient to assess all of the functionally relevant critical dimensions in such 3D products on their own. While current high-resolution 3D metrology systems are able to assess these critical dimensions, they have a relatively small field of view and are thus much too slow to keep up with full production speeds. A hybrid 2D/3D inspection concept is demonstrated, combining a small field of view, high-performance 3D topography-measuring instrument with a large field of view, high-throughput 2D machine vision system. In this concept, the location of critical dimensions and defects are first registered using the 2D system, then smart routing algorithms and high dynamic range (HDR) measurement strategies are used to efficiently acquire local topography using the 3D sensor. A motion control platform with a traceable position referencing system is used to recreate various sheet-to-sheet and roll-to-roll inline metrology scenarios. We present the artefacts and procedures used to calibrate this hybrid sensor system for traceable dimensional measurement, as well as exemplar measurement of optically challenging industrial test structures.

Spinodal assisted growing dynamics of critical nucleus in polymer blends

NASA Astrophysics Data System (ADS)

Zhang, Xinghua; Qi, Shuanhu; Yan, Dadong

2012-11-01

In metastable polymer blends, nonclassical critical nucleus is not a drop of stable phase in core wrapped with a sharp interface, but a diffuse structure depending on the metastability. Thus, forming a critical nucleus does not mean the birth of a new phase. In the present work, the nonclassical growing dynamics of the critical nucleus is addressed in the metastable polymer blends by incorporating self-consistent field theory and external potential dynamics theory, which leads to an intuitionistic description for the scattering experiments. The results suggest that the growth of nonclassical critical nucleus is controlled by the spinodal-decomposition which happens in the region surrounding the nucleus. This leads to forming the shell structures around the nucleus.

From aggregative adsorption to surface depletion: Aqueous systems of C nE m amphiphiles at hydrophilic surfaces

DOE PAGES

Rother, Gernot; Müter, Dirk; Bock, Henry; ...

2017-03-27

Adsorption of a short-chain nonionic amphiphile (C 6E 3) at the surface of mesoporous silica glass (CPG-10) was studied by a combination of adsorption measurements and mesoscale simulations. Adsorption measurements covering a wide composition range of the C 6E 3 + water system show that no adsorption occurs up to the critical micelle concentration (cmc), at which a sharp increase of adsorption is observed that is attributed to ad-micelle formation at the pore walls. Intriguingly, as the concentration is increased further, the surface excess of the amphiphile begins to decrease and eventually becomes negative, which corresponds to preferential adsorption ofmore » water rather than amphiphile at high amphiphile concentrations. The existence of such a surface-azeotropic point has not previously been reported in the surfactant adsorption field. Dissipative particle dynamics (DPD) simulations were performed to reveal the structural origin of this transition from aggregative adsorption to surface depletion. Finally, the simulations indicate that this transition can be attributed to the repulsive interaction between head groups, causing amphiphilic depletion in the region around the corona of the surface micelles.« less

Modulating interactions between ligand-coated nanoparticles and phase-separated lipid bilayers by varying the ligand density and the surface charge.

PubMed

Chen, Xiaojie; Tieleman, D Peter; Liang, Qing

2018-02-01

The interactions between nanoparticles and lipid bilayers are critical in applications of nanoparticles in nanomedicine, cell imaging, toxicology, and elsewhere. Here, we investigate the interactions between nanoparticles coated with neutral and/or charged ligands and phase-separated lipid bilayers using coarse-grained molecular dynamics simulation. Both penetration and adsorption processes as well as the final distribution of the nanoparticles can be readily modulated by varying the ligand density and the surface charge of the nanoparticles. Completely hydrophobic (neutral) nanoparticles with larger size initially preferentially penetrate into the liquid-disordered region of the lipid bilayer and finally transfer into the liquid-ordered region; partially hydrophilic nanoparticles with low or moderate surface charge tend to either distribute in the liquid-disordered region or be adsorbed on the surface of the lipid bilayer, while strongly hydrophilic nanoparticles with high surface charge always reside on the surface of the lipid bilayer. Interactions of the nanoparticles with the lipid bilayers are affected by the surface charge of nanoparticles, hydrophobic mismatch, bending of the ligands, and the packing state of the lipids. Insight in these factors can be used to improve the efficiency of designing nanoparticles for specific applications.

Dynamic root distributions in ecohydrological modeling: A case study at Walnut Gulch Experimental Watershed

NASA Astrophysics Data System (ADS)

Sivandran, Gajan; Bras, Rafael L.

2013-06-01

Arid regions are characterized by high variability in the arrival of rainfall, and species found in these areas have adapted mechanisms to ensure the capture of this scarce resource. In particular, the rooting strategies employed by vegetation can be critical to their survival. However, land surface models currently prescribe rooting profiles as a function of only the plant functional type of interest with no consideration for the soil texture or rainfall regime of the region being modeled. Additionally, these models do not incorporate the ability of vegetation to dynamically alter their rooting strategies in response to transient changes in environmental forcings or competition from other plant species and therefore tend to underestimate the resilience of these ecosystems. To address the simplicity of the current representation of roots in land surface models, a new dynamic rooting scheme was incorporated into the framework of the distributed ecohydrological model tRIBS+VEGGIE. The new scheme optimizes the allocation of carbon to the root zone to reduce the perceived stress of the vegetation, so that root profiles evolve based upon local climate and soil conditions. The ability of the new scheme to capture the complex dynamics of natural systems was evaluated by comparisons to hourly timescale energy flux, soil moisture, and vegetation growth observations from the Walnut Gulch Experimental Watershed, Arizona. Robust agreement was found between the model and observations, providing confidence that the improved model is able to capture the multidirectional interactions between climate, soil, and vegetation at this site.

Dynamical inversion of the energy landscape promotes non-equilibrium self-assembly of binary mixtures

DOE PAGES

Pestana, Luis Ruiz; Minnetian, Natalie; Lammers, Laura Nielsen; ...

2018-01-02

When driven out of equilibrium, many diverse systems can form complex spatial and dynamical patterns, even in the absence of attractive interactions. Using kinetic Monte Carlo simulations, we investigate the phase behavior of a binary system of particles of dissimilar size confined between semiflexible planar surfaces, in which the nanoconfinement introduces a non-local coupling between particles, which we model as an activation energy barrier to diffusion that decreases with the local fraction of the larger particle. The system autonomously reaches a cyclical non-equilibrium state characterized by the formation and dissolution of metastable micelle-like clusters with the small particles in themore » core and the large ones in the surrounding corona. The power spectrum of the fluctuations in the aggregation number exhibits 1/f noise reminiscent of self-organized critical systems. Finally, we suggest that the dynamical metastability of the micellar structures arises from an inversion of the energy landscape, in which the relaxation dynamics of one of the species induces a metastable phase for the other species.« less

Dynamical inversion of the energy landscape promotes non-equilibrium self-assembly of binary mixtures

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

Pestana, Luis Ruiz; Minnetian, Natalie; Lammers, Laura Nielsen

When driven out of equilibrium, many diverse systems can form complex spatial and dynamical patterns, even in the absence of attractive interactions. Using kinetic Monte Carlo simulations, we investigate the phase behavior of a binary system of particles of dissimilar size confined between semiflexible planar surfaces, in which the nanoconfinement introduces a non-local coupling between particles, which we model as an activation energy barrier to diffusion that decreases with the local fraction of the larger particle. The system autonomously reaches a cyclical non-equilibrium state characterized by the formation and dissolution of metastable micelle-like clusters with the small particles in themore » core and the large ones in the surrounding corona. The power spectrum of the fluctuations in the aggregation number exhibits 1/f noise reminiscent of self-organized critical systems. Finally, we suggest that the dynamical metastability of the micellar structures arises from an inversion of the energy landscape, in which the relaxation dynamics of one of the species induces a metastable phase for the other species.« less

Comprehensive nonlocal analysis of piezoelectric nanobeams with surface effects in bending, buckling and vibrations under magneto-electro-thermo-mechanical loading

NASA Astrophysics Data System (ADS)

Ebrahimi-Nejad, Salman; Boreiry, Mahya

2018-03-01

The bending, buckling and vibrational behavior of size-dependent piezoelectric nanobeams under thermo-magneto-mechano-electrical environment are investigated by performing a parametric study, in the presence of surface effects. The Gurtin-Murdoch surface elasticity and Eringen’s nonlocal elasticity theories are applied in the framework of Euler–Bernoulli beam theory to obtain a new non-classical size-dependent beam model for dynamic and static analyses of piezoelectric nanobeams. In order to satisfy the surface equilibrium equations, cubic variation of stress with beam thickness is assumed for the bulk stress component which is neglected in classical beam models. Results are obtained for clamped - simply-supported (C-S) and simply-supported - simply-supported (S-S) boundary conditions using a proposed analytical solution method. Numerical examples are presented to demonstrate the effects of length, surface effects, nonlocal parameter and environmental changes (temperature, magnetic field and external voltage) on deflection, critical buckling load and natural frequency for each boundary condition. Results of this study can serve as benchmarks for the design and analysis of nanostructures of magneto-electro-thermo-elastic materials.

Effect of nanoscale flows on the surface structure of nanoporous catalysts.

PubMed

Montemore, Matthew M; Montessori, Andrea; Succi, Sauro; Barroo, Cédric; Falcucci, Giacomo; Bell, David C; Kaxiras, Efthimios

2017-06-07

The surface structure and composition of a multi-component catalyst are critical factors in determining its catalytic performance. The surface composition can depend on the local pressure of the reacting species, leading to the possibility that the flow through a nanoporous catalyst can affect its structure and reactivity. Here, we explore this possibility for oxidation reactions on nanoporous gold, an AgAu bimetallic catalyst. We use microscopy and digital reconstruction to obtain the morphology of a two-dimensional slice of a nanoporous gold sample. Using lattice Boltzmann fluid dynamics simulations along with thermodynamic models based on first-principles total-energy calculations, we show that some sections of this sample have low local O 2 partial pressures when exposed to reaction conditions, which leads to a pure Au surface in these regions, instead of the active bimetallic AgAu phase. We also explore the effect of temperature on the surface structure and find that moderate temperatures (≈300-450 K) should result in the highest intrinsic catalytic performance, in apparent agreement with experimental results.

Influence of dynamic flow conditions on adsorbed plasma protein corona and surface-induced thrombus generation on antifouling brushes.

PubMed

Yu, Kai; Andruschak, Paula; Yeh, Han Hung; Grecov, Dana; Kizhakkedathu, Jayachandran N

2018-06-01

The information regarding the nature of protein corona (and its changes) and cell binding on biomaterial surface under dynamic conditions is critical to dissect the mechanism of surface-induced thrombosis. In this manuscript, we investigated the nature of protein corona and blood cell binding in heparinized recalcified human plasma, platelet rich plasma and whole blood on three highly hydrophilic antifouling polymer brushes, (poly(N, N-dimethylacrylamide) (PDMA), poly(2-methacryloyloxyethyl phosphorylcholine) (PMPC) and poly[N-(2-hydroxypropyl) methacrylamide] (PHPMA) using an in vitro blood loop model at comparable arterial and venous flow, and static conditions. A fluid dynamics model was used initially to better understand the resulting flow patterns in a vertical channel containing the substrates to arrive at the placement of the substrates within the blood loop. The protein binding on the brush modified substrates was determined using ellipsometry, fluorescence microscopy and the nature of the protein corona was investigated using mass spectrometry based proteomics. The flow elevated fouling on brush coated surface from blood. The extent of plasma protein adsorption and platelet adhesion onto PDMA brush was lower than other surfaces in both static and flow conditions. The profiles of adsorbed protein corona showed strong dependence on the test conditions (static vs. flow), and the chemistry of the polymer brushes. Specially, the PDMA brush under flow conditions was more enriched with coagulation proteins, complement proteins, vitronectin and fibronectin but was less enriched with serum albumin. Apolipoprotein B-100 and complement proteins were the most abundant proteins seen on PMPC and PHPMA surfaces under both flow and static conditions, respectively. Unlike PDMA brush, the flow conditions did not affect the composition of protein corona on PMPC and PHPMA brushes. The nature of the protein corona formed in flow conditions influenced the platelet and red blood cell binding. The dependence of shear stress on platelet adhesion from platelet rich plasma and whole blood highlights the contribution of red blood cells in enhancing platelet adhesion on the surface under high shear condition. Copyright © 2018 Elsevier Ltd. All rights reserved.

Identification of Dust Source Regions at High-Resolution and Dynamics of Dust Source Mask over Southwest United States Using Remote Sensing Data

NASA Astrophysics Data System (ADS)

Sprigg, W. A.; Sahoo, S.; Prasad, A. K.; Venkatesh, A. S.; Vukovic, A.; Nickovic, S.

2015-12-01

Identification and evaluation of sources of aeolian mineral dust is a critical task in the simulation of dust. Recently, time series of space based multi-sensor satellite images have been used to identify and monitor changes in the land surface characteristics. Modeling of windblown dust requires precise delineation of mineral dust source and its strength that varies over a region as well as seasonal and inter-annual variability due to changes in land use and land cover. Southwest USA is one of the major dust emission prone zone in North American continent where dust is generated from low lying dried-up areas with bare ground surface and they may be scattered or appear as point sources on high resolution satellite images. In the current research, various satellite derived variables have been integrated to produce a high-resolution dust source mask, at grid size of 250 m, using data such as digital elevation model, surface reflectance, vegetation cover, land cover class, and surface wetness. Previous dust source models have been adopted to produce a multi-parameter dust source mask using data from satellites such as Terra (Moderate Resolution Imaging Spectroradiometer - MODIS), and Landsat. The dust source mask model captures the topographically low regions with bare soil surface, dried-up river plains, and lakes which form important source of dust in southwest USA. The study region is also one of the hottest regions of USA where surface dryness, land use (agricultural use), and vegetation cover changes significantly leading to major changes in the areal coverage of potential dust source regions. A dynamic high resolution dust source mask have been produced to address intra-annual change in the aerial extent of bare dry surfaces. Time series of satellite derived data have been used to create dynamic dust source masks. A new dust source mask at 16 day interval allows enhanced detection of potential dust source regions that can be employed in the dust emission and transport pathways models for better estimation of emission of dust during dust storms, particulate air pollution, public health risk assessment tools and decision support systems.

Critical zone evolution and the origins of organised complexity in watersheds

NASA Astrophysics Data System (ADS)

Harman, C.; Troch, P. A.; Pelletier, J.; Rasmussen, C.; Chorover, J.

2012-04-01

The capacity of the landscape to store and transmit water is the result of a historical trajectory of landscape, soil and vegetation development, much of which is driven by hydrology itself. Progress in geomorphology and pedology has produced models of surface and sub-surface evolution in soil-mantled uplands. These dissected, denuding modeled landscapes are emblematic of the kinds of dissipative self-organized flow structures whose hydrologic organization may also be understood by low-dimensional hydrologic models. They offer an exciting starting-point for examining the mapping between the long-term controls on landscape evolution and the high-frequency hydrologic dynamics. Here we build on recent theoretical developments in geomorphology and pedology to try to understand how the relative rates of erosion, sediment transport and soil development in a landscape determine catchment storage capacity and the relative dominance of runoff process, flow pathways and storage-discharge relationships. We do so by using a combination of landscape evolution models, hydrologic process models and data from a variety of sources, including the University of Arizona Critical Zone Observatory. A challenge to linking the landscape evolution and hydrologic model representations is the vast differences in the timescales implicit in the process representations. Furthermore the vast array of processes involved makes parameterization of such models an enormous challenge. The best data-constrained geomorphic transport and soil development laws only represent hydrologic processes implicitly, through the transport and weathering rate parameters. In this work we propose to avoid this problem by identifying the relationship between the landscape and soil evolution parameters and macroscopic climate and geological controls. These macroscopic controls (such as the aridity index) have two roles: 1) they express the water and energy constraints on the long-term evolution of the landscape system, and 2) they bound the range of plausible short-term hydroclimatic regimes that may drive a particular landscape's hydrologic dynamics. To ensure that the hydrologic dynamics implicit in the evolutionary parameters are compatible with the dynamics observed in the hydrologic modeling, a set of consistency checks based on flow process dominance are developed.

Adaptation to sensory input tunes visual cortex to criticality

NASA Astrophysics Data System (ADS)

Shew, Woodrow L.; Clawson, Wesley P.; Pobst, Jeff; Karimipanah, Yahya; Wright, Nathaniel C.; Wessel, Ralf

2015-08-01

A long-standing hypothesis at the interface of physics and neuroscience is that neural networks self-organize to the critical point of a phase transition, thereby optimizing aspects of sensory information processing. This idea is partially supported by strong evidence for critical dynamics observed in the cerebral cortex, but the impact of sensory input on these dynamics is largely unknown. Thus, the foundations of this hypothesis--the self-organization process and how it manifests during strong sensory input--remain unstudied experimentally. Here we show in visual cortex and in a computational model that strong sensory input initially elicits cortical network dynamics that are not critical, but adaptive changes in the network rapidly tune the system to criticality. This conclusion is based on observations of multifaceted scaling laws predicted to occur at criticality. Our findings establish sensory adaptation as a self-organizing mechanism that maintains criticality in visual cortex during sensory information processing.

The constructed catchment Chicken Creek as Critical Zone Observatory under transition

NASA Astrophysics Data System (ADS)

Gerwin, Werner; Schaaf, Wolfgang; Elmer, Michael; Hinz, Christoph

2014-05-01

The constructed catchment Chicken Creek was established in 2005 as an experimental landscape laboratory for ecosystem research. The 6 ha area with clearly defined horizontal as well as vertical boundary conditions was left for an unrestricted primary succession. All Critical Zone elements are represented at this site, which allows the study of most processes occurring at the interface of bio-, pedo-, geo- and hydrosphere. It provides outstanding opportunities for investigating interactions and feedbacks between different evolving compartments during ecosystem development. The catchment is extensively instrumented since 2005 in order to detect transition stages of the ecosystem. Data recorded with a high spatial and temporal resolution include hydrological, geomorphological, pedological, limnological as well as biological parameters. In contrast to other Critical Zone Observatories, this site offers the unique situation of an early stage ecosystem with highly dynamic system properties. The first years of development were characterized by a fast formation of geomorphological structures due to massive erosion processes at the initially non-vegetated surface. Hydrological processes led to the establishment of a local groundwater body within 5 years. In the following years the influence of biological structures like vegetation patterns gained an increasing importance. Feedbacks between developing vegetation and e.g. hydrological features became more and more dominant. As a result, different phases of ecosystem development could be distinguished until now. This observatory offers manifold possibilities to identify and disentangle complex interactions between Critical Zone processes in situ under natural conditions. The originally low complexity of the system is growing with time facilitating the identification of influences of newly developing structures on system functions. Thus, it is possible to study effects of small-scale processes on the whole system at the landscape scale. In addition, the highly dynamic initial system properties allow the observation of multifaceted changes of Critical Zone properties and functions within short periods of time. Chicken Creek could complement the existing network of Critical Zone Observatories which are usually established at ecosystems in a mature state.

Characterizing featureless Mott insulating state by quasiparticle interference: A dynamical mean field theory view

NASA Astrophysics Data System (ADS)

Mukherjee, Shantanu; Lee, Wei-Cheng

2015-12-01

The quasiparticle interferences (QPIs) of the featureless Mott insulators are investigated by a T -matrix formalism implemented with the dynamical mean field theory (T -DMFT). In the Mott insulating state, due to the singularity at zero frequency in the real part of the electron self-energy [Re Σ (ω )˜η /ω ] predicted by DMFT, where η can be considered as the "order parameter" for the Mott insulating state, QPIs are completely washed out at small bias voltages. However, a further analysis shows that Re Σ (ω ) serves as an energy-dependent chemical potential shift. As a result, the effective bias voltage seen by the system is e V'=e V -Re Σ (e V ) , which leads to a critical bias voltage e Vc˜√{η } satisfying e V'=0 if and only if η is nonzero. Consequently, the same QPI patterns produced by the noninteracting Fermi surfaces appear at this critical bias voltage e Vc in the Mott insulating state. We propose that this reentry of noninteracting QPI patterns at e Vc could serve as an experimental signature of the Mott insulating state, and the order parameter can be experimentally measured as η ˜(eVc) 2 .

Long-Term (4 mo) Oxygen Isotope Exchange Experiment between Zircon and Hydrothermal Fluid

NASA Astrophysics Data System (ADS)

Bindeman, I. N.; Schmitt, A. K.; Lundstrom, C.; Golledge, S.

2013-12-01

Knowing oxygen diffusivity in zircon has several critical applications: 1) establishing zircon stability and solubility in hot silica-saturated hydrothermal solutions; 2) deriving metamorphic and magmatic heating timescales from intra-crystal oxygen isotopic gradients; 3) assessing the survivability of oxygen isotopic signatures in Hadean zircons. We report results of a microanalytical investigation of an isotope exchange experiment using a cold-seal pressure apparatus at 850°C and 500 MPa over 4 months duration. Natural zircon, quartz and rutile were sealed with a silica-rich solution doped with 18-O, D, 7-Li and 10-B in a gold capsule. The diffusion length-scales were examined by depth profiling using time-of-flight (TOF) and high-sensitivity dynamic secondary ionization mass spectrometry (SIMS). Starting materials had distinct and homogeneous δ18O: zircon from Mesa Falls tuff of Yellowstone (+3.6‰), rutile from Karelia (-29‰), Bishop Tuff Quartz (+8.4‰), and δ18O doped water (+400‰). Starting material zircon showed invariant 18O/16O during depth profiling. After the 4 month experiment, rutile crystal surfaces displayed etching (100's of nm), while zircon exteriors lacked visible change. Quartz was completely dissolved and reprecipitated in a minor residue. Rutile developed ~2 μm long Fickian diffusion profiles largely consistent with the wet diffusion coefficients for rutile previously reported [1]. Surface U-Pb dating of zircon detected no significant Pb loss from the outermost ~300 nm of the crystal face and returned identical core-face ages. We performed δ18O depth profiling of zircon in two directions. First, forward profiles (crystal rim inwards) by dynamic SIMS (no surface treatment besides Au-coating; Cs+ beam of 20 kV impact energy) showed initially high and decreasing 18O/16O over ~130 nm; TOF-SIMS forward profiles using a 2 kV Cs+ sputter beam and 25 kV Bi3+ primary ions on uncoated zircon surfaces (cleaned for 2 min with HF) yielded decreasing 18O/16O over a similar length scale. These profile lengths are largely consistent with wet diffusion coefficient for zircon reported by [2]. In contrast, back-side depth profiling was conducted by dynamic SIMS on a 1 μm thick wafer cut from the zircon by FIB. No significant elevation in 18O/16O was detected when the surface layer was penetrated, consistent with dry diffusion coefficients of [2]. The results suggest that nm-scale SIMS surface analysis of isotope ratios is challenging. We are investigating if they can be critically affected by knock-on effects and/or continuous mixing of a very thin enriched surface layer during depth profiling in our and previous experiments. [1] Moore et al., 1998, Am. Min. 83, 700-711 [2] Watson and Cherniak, 1997, EPSL 148, 537-544

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

Yang, Liang; Wang, C. Z.; Lin, Shiwei

Understanding of metal oxidation is very critical to corrosion control, catalysis synthesis, and advanced materials engineering. Metal oxidation is a very complex phenomenon, with many different processes which are coupled and involved from the onset of reaction. In this work, the initial stage of oxidation on titanium surface was investigated in atomic scale by molecular dynamics (MD) simulations using a reactive force field (ReaxFF). We show that oxygen transport is the dominant process during the initial oxidation. Our simulation also demonstrate that a compressive stress was generated in the oxide layer which blocked the oxygen transport perpendicular to the Titaniummore » (0001) surface and further prevented oxidation in the deeper layers. As a result, the mechanism of initial oxidation observed in this work can be also applicable to other self-limiting oxidation.« less

Stress corrosion cracking of titanium alloys

NASA Technical Reports Server (NTRS)

May, R. C.; Beck, F. H.; Fontana, M. G.

1971-01-01

Experiments were conducted to study (1) the basic electrochemical behavior of titanium in acid chloride solutions and (2) the response of the metal to dynamic straining in the same evironment. The aim of this group of experiments was to simulate, as nearly as possible, the actual conditions which exist at the tip of a crack. One of the foremost theories proposed to explain the propagation of stress corrosion cracks is a hydrogen embrittlement theory involving the precipitation of embrittling titanium hydrides inside the metal near the crack tip. An initial survey of the basic electrochemical literature indicated that surface hydrides play a critical role in the electrochemistry of titanium in acid solutions. A comprehensive analysis of the effect of surface films, particularly hydrides, on the electrochemical behavior of titanium in these solution is presented.

Investigations on transparent liquid-miscibility gap systems

NASA Technical Reports Server (NTRS)

Lacy, L. L.; Nishioka, G.; Ross, S.

1979-01-01

Sedimentation and phase separation is a well known occurrence in monotectic or miscibility gap alloys. Previous investigations indicate that it may be possible to prepare such alloys in a low-gravity space environment but recent experiments indicate that there may be nongravity dependent phase separation processes which can hinder the formation of such alloys. Such phase separation processes are studied using transparent liquid systems and holography. By reconstructing holograms into a commercial-particle-analysis system, real time computer analysis can be performed on emulsions with diameters in the range of 5 micrometers or greater. Thus dynamic effects associated with particle migration and coalescence can be studied. Characterization studies on two selected immiscible systems including an accurate determination of phase diagrams, surface and interfacial tension measurements, surface excess and wetting behavior near critical solution temperatures completed.

Curvature induced phase stability of an intensely heated liquid

NASA Astrophysics Data System (ADS)

Sasikumar, Kiran; Liang, Zhi; Cahill, David G.; Keblinski, Pawel

2014-06-01

We use non-equilibrium molecular dynamics simulations to study the heat transfer around intensely heated solid nanoparticles immersed in a model Lennard-Jones fluid. We focus our studies on the role of the nanoparticle curvature on the liquid phase stability under steady-state heating. For small nanoparticles we observe a stable liquid phase near the nanoparticle surface, which can be at a temperature well above the boiling point. Furthermore, for particles with radius smaller than a critical radius of 2 nm we do not observe formation of vapor even above the critical temperature. Instead, we report the existence of a stable fluid region with a density much larger than that of the vapor phase. We explain the stability in terms of the Laplace pressure associated with the formation of a vapor nanocavity and the associated effect on the Gibbs free energy.

In Situ Real-Time Radiographic Study of Thin Film Formation Inside Rotating Hollow Spheres

DOE PAGES

Braun, Tom; Walton, Christopher C.; Dawedeit, Christoph; ...

2016-02-03

The hollow spheres with uniform coatings on the inner surface have applications in optical devices, time- or site-controlled drug release, heat storage devices, and target fabrication for inertial confinement fusion experiments. The fabrication of uniform coatings, which is often critical for the application performance, requires precise understanding and control over the coating process and its parameters. We report on in situ real-time radiography experiments that provide critical spatiotemporal information about the distribution of fluids inside hollow spheres during uniaxial rotation. Furthermore, image analysis and computer fluid dynamics simulations were used to explore the effect of liquid viscosity and rotational velocitymore » on the film uniformity. The data were then used to demonstrate the fabrication of uniform sol–gel chemistry derived porous polymer films inside 2 mm inner diameter diamond shells.« less

In Situ Real-Time Radiographic Study of Thin Film Formation Inside Rotating Hollow Spheres

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

Braun, Tom; Walton, Christopher C.; Dawedeit, Christoph

2016-02-03

Hollow spheres with uniform coatings on the inner surface have applications in optical devices, time- or site controlled drug release, heat storage devices, and target fabrication for inertial confinement fusion experiments. The fabrication of uniform coatings, which is often critical for the application performance, requires precise understanding and control over the coating process and its parameters. Here, we report on in-situ real-time radiography experiments that provide critical spatio-temporal information about the distribution of fluids inside hollow spheres during uniaxial rotation. Image analysis and computer fluid dynamics simulations were used to explore the effect of liquid viscosity and rotational velocity onmore » the film uniformity. The data were then used to demonstrate the fabrication of uniform sol-gel chemistry derived porous polymer films inside 2mm inner diameter diamond shells.« less

Real-time, continuous, fluorescence sensing in a freely-moving subject with an implanted hybrid VCSEL/CMOS biosensor

PubMed Central

O’Sullivan, Thomas D.; Heitz, Roxana T.; Parashurama, Natesh; Barkin, David B.; Wooley, Bruce A.; Gambhir, Sanjiv S.; Harris, James S.; Levi, Ofer

2013-01-01

Performance improvements in instrumentation for optical imaging have contributed greatly to molecular imaging in living subjects. In order to advance molecular imaging in freely moving, untethered subjects, we designed a miniature vertical-cavity surface-emitting laser (VCSEL)-based biosensor measuring 1cm3 and weighing 0.7g that accurately detects both fluorophore and tumor-targeted molecular probes in small animals. We integrated a critical enabling component, a complementary metal-oxide semiconductor (CMOS) read-out integrated circuit, which digitized the fluorescence signal to achieve autofluorescence-limited sensitivity. After surgical implantation of the lightweight sensor for two weeks, we obtained continuous and dynamic fluorophore measurements while the subject was un-anesthetized and mobile. The technology demonstrated here represents a critical step in the path toward untethered optical sensing using an integrated optoelectronic implant. PMID:24009996

Arc Discharges of a Pure Carbon Strip Affected by Dynamic Contact Force during Current-Carrying Sliding

PubMed Central

Zhang, Yanyan; Zhang, Yongzhen

2018-01-01

Arc discharges of a pure carbon strip induced by dynamic contact force were studied on a pin-on-disk tribometer. It was found that arc discharges were produced periodically in accordance with the period of the dynamic contact force. The arcing rate of the pure carbon strip increased with an increase of frequency f and amplitude B, which led to a decrease of current-carrying quality. These influences at high velocities became much more significant. A critical point of the arcing rate at around 2% was detected. Lower than 2%, the pure carbon strip was able to maintain its excellent current-carrying capability; higher than this point, the current-carrying quality deteriorated abruptly. SEM and XPS analysis show that the element Cu detected on the worn surface at lower arcing rates was metal Cu. CuO was found at higher arcing rates. This indicated that the wear mechanism transferred from mechanical wear to arc erosion with the increase of the arcing rate. PMID:29762496

Critical assessment of enhancement factor measurements in surface-enhanced Raman scattering on different substrates.

PubMed

Rodrigues, Daniel C; de Souza, Michele L; Souza, Klester S; dos Santos, Diego P; Andrade, Gustavo F S; Temperini, Marcia L A

2015-09-07

The SERS enhancement factor (SERS-EF) is one of the most important parameters that characterizes the ability of a given substrate to enhance the Raman signal for SERS applications. The comparison of SERS intensities and SERS-EF values across different substrates is a common practice to unravel the performance of a given substrate. In this study, it is shown that such a comparison may lack significance if we compare substrates of very distinct nature and optical properties. It is specifically shown that the SERS-EF values for static substrates (e.g. immobilized metallic nanostructures) cannot be compared to those of dynamic ones (e.g. colloidal metal nanoparticle solutions), and that the optical properties for the latter show strong dependence on the metal-molecule interaction dynamics. The most representative experimental results concerning the dynamic substrates have been supported by generalized Mie theory simulations, which are tools used to describe the substrate complexity and the microscopic information not usually taken into account.

Arc Discharges of a Pure Carbon Strip Affected by Dynamic Contact Force during Current-Carrying Sliding.

PubMed

Zhang, Yanyan; Zhang, Yongzhen; Song, Chenfei

2018-05-15

Arc discharges of a pure carbon strip induced by dynamic contact force were studied on a pin-on-disk tribometer. It was found that arc discharges were produced periodically in accordance with the period of the dynamic contact force. The arcing rate of the pure carbon strip increased with an increase of frequency f and amplitude B , which led to a decrease of current-carrying quality. These influences at high velocities became much more significant. A critical point of the arcing rate at around 2% was detected. Lower than 2%, the pure carbon strip was able to maintain its excellent current-carrying capability; higher than this point, the current-carrying quality deteriorated abruptly. SEM and XPS analysis show that the element Cu detected on the worn surface at lower arcing rates was metal Cu. CuO was found at higher arcing rates. This indicated that the wear mechanism transferred from mechanical wear to arc erosion with the increase of the arcing rate.

Surface Hold Advisor Using Critical Sections

NASA Technical Reports Server (NTRS)

Law, Caleb Hoi Kei (Inventor); Hsiao, Thomas Kun-Lung (Inventor); Mittler, Nathan C. (Inventor); Couluris, George J. (Inventor)

2013-01-01

The Surface Hold Advisor Using Critical Sections is a system and method for providing hold advisories to surface controllers to prevent gridlock and resolve crossing and merging conflicts among vehicles traversing a vertex-edge graph representing a surface traffic network on an airport surface. The Advisor performs pair-wise comparisons of current position and projected path of each vehicle with other surface vehicles to detect conflicts, determine critical sections, and provide hold advisories to traffic controllers recommending vehicles stop at entry points to protected zones around identified critical sections. A critical section defines a segment of the vertex-edge graph where vehicles are in crossing or merging or opposite direction gridlock contention. The Advisor detects critical sections without reference to scheduled, projected or required times along assigned vehicle paths, and generates hold advisories to prevent conflicts without requiring network path direction-of-movement rules and without requiring rerouting, rescheduling or other network optimization solutions.

Critical Watersheds: Climate Change, Tipping Points, and Energy-Water Impacts

NASA Astrophysics Data System (ADS)

Middleton, R. S.; Brown, M.; Coon, E.; Linn, R.; McDowell, N. G.; Painter, S. L.; Xu, C.

2014-12-01

Climate change, extreme climate events, and climate-induced disturbances will have a substantial and detrimental impact on terrestrial ecosystems. How ecosystems respond to these impacts will, in turn, have a significant effect on the quantity, quality, and timing of water supply for energy security, agriculture, industry, and municipal use. As a community, we lack sufficient quantitative and mechanistic understanding of the complex interplay between climate extremes (e.g., drought, floods), ecosystem dynamics (e.g., vegetation succession), and disruptive events (e.g., wildfire) to assess ecosystem vulnerabilities and to design mitigation strategies that minimize or prevent catastrophic ecosystem impacts. Through a combination of experimental and observational science and modeling, we are developing a unique multi-physics ecohydrologic framework for understanding and quantifying feedbacks between novel climate and extremes, surface and subsurface hydrology, ecosystem dynamics, and disruptive events in critical watersheds. The simulation capability integrates and advances coupled surface-subsurface hydrology from the Advanced Terrestrial Simulator (ATS), dynamic vegetation succession from the Ecosystem Demography (ED) model, and QUICFIRE, a novel wildfire behavior model developed from the FIRETEC platform. These advances are expected to make extensive contributions to the literature and to earth system modeling. The framework is designed to predict, quantify, and mitigate the impacts of climate change on vulnerable watersheds, with a focus on the US Mountain West and the energy-water nexus. This emerging capability is used to identify tipping points in watershed ecosystems, quantify impacts on downstream users, and formally evaluate mitigation efforts including forest (e.g., thinning, prescribed burns) and watershed (e.g., slope stabilization). The framework is being trained, validated, and demonstrated using field observations and remote data collections in the Valles Caldera National Preserve, including pre- and post-wildfire and infestation observations. Ultimately, the framework will be applied to the upper Colorado River basin. Here, we present an overview of the framework development strategy and latest field and modeling results.

Regional Climate Simulations of the Hydrological Cycle in the Iberian Peninsula with a Coupled WRF-HYDRO Model

NASA Astrophysics Data System (ADS)

Rios-Entenza, A.; Miguez-Macho, G.

2008-12-01

Land-atmosphere water exchanges and heat fluxes play an important role in climate and particularly in controlling precipitation in water-limited regions. One of such regions is the Iberian Peninsula, and in this study we examine the relevance of water recycling in convective precipitation regimes of the Fall and Spring there, when rainfall is critical for agriculture and many other human activities. We conducted simulations with WRF-ARW model at 5 km horizontal resolution, using a 1500 km x 1500 km nested grid that covers the Iberian Peninsula, with a parent domain that uses spectral nudging in order to avoid the distortion of the large-scale circulation caused by the interaction of the modeled flow with the lateral boundaries of the nested grid. For land-surface interactions we coupled WRF with the LEAF-HYDRO land surface model, which includes water table dynamics. We use therefore a tool that simulates the entire water cycle, including the water table, which has been reported to be critical for soil moisture dynamics in semi-arid regions like the Iberian Peninsula. For each one of the events that we selected, we performed two simulations: a control one, where all land-atmosphere feedbacks are taken into account, and the experiment, where infiltration of the precipitated water into the soil was suppressed. In this manner we explore the role of upward latent and sensible heat fluxes and evapotranspiration in precipitation dynamics. Preliminary results suggest that water recycling is a key factor in extending convective precipitation during several days, and that the total new water added in the area as a whole is only a fraction of the total measured rainfall. An estimation of this fraction is very important to better understanding the water budget and for hydrological planning in this water-stressed region.

Critical short-time dynamics in a system with interacting static and diffusive populations

NASA Astrophysics Data System (ADS)

Argolo, C.; Quintino, Yan; Gleria, Iram; Lyra, M. L.

2012-01-01

We study the critical short-time dynamical behavior of a one-dimensional model where diffusive individuals can infect a static population upon contact. The model presents an absorbing phase transition from an active to an inactive state. Previous calculations of the critical exponents based on quasistationary quantities have indicated an unusual crossover from the directed percolation to the diffusive contact process universality classes. Here we show that the critical exponents governing the slow short-time dynamic evolution of several relevant quantities, including the order parameter, its relative fluctuations, and correlation function, reinforce the lack of universality in this model. Accurate estimates show that the critical exponents are distinct in the regimes of low and high recovery rates.

Universal Critical Dynamics in High Resolution Neuronal Avalanche Data

NASA Astrophysics Data System (ADS)

Friedman, Nir; Ito, Shinya; Brinkman, Braden A. W.; Shimono, Masanori; DeVille, R. E. Lee; Dahmen, Karin A.; Beggs, John M.; Butler, Thomas C.

2012-05-01

The tasks of neural computation are remarkably diverse. To function optimally, neuronal networks have been hypothesized to operate near a nonequilibrium critical point. However, experimental evidence for critical dynamics has been inconclusive. Here, we show that the dynamics of cultured cortical networks are critical. We analyze neuronal network data collected at the individual neuron level using the framework of nonequilibrium phase transitions. Among the most striking predictions confirmed is that the mean temporal profiles of avalanches of widely varying durations are quantitatively described by a single universal scaling function. We also show that the data have three additional features predicted by critical phenomena: approximate power law distributions of avalanche sizes and durations, samples in subcritical and supercritical phases, and scaling laws between anomalous exponents.

Moisture parameters and fungal communities associated with gypsum drywall in buildings.

PubMed

Dedesko, Sandra; Siegel, Jeffrey A

2015-12-08

Uncontrolled excess moisture in buildings is a common problem that can lead to changes in fungal communities. In buildings, moisture parameters can be classified by location and include assessments of moisture in the air, at a surface, or within a material. These parameters are not equivalent in dynamic indoor environments, which makes moisture-induced fungal growth in buildings a complex occurrence. In order to determine the circumstances that lead to such growth, it is essential to have a thorough understanding of in situ moisture measurement, the influence of building factors on moisture parameters, and the levels of these moisture parameters that lead to indoor fungal growth. Currently, there are disagreements in the literature on this topic. A literature review was conducted specifically on moisture-induced fungal growth on gypsum drywall. This review revealed that there is no consistent measurement approach used to characterize moisture in laboratory and field studies, with relative humidity measurements being most common. Additionally, many studies identify a critical moisture value, below which fungal growth will not occur. The values defined by relative humidity encompassed the largest range, while those defined by moisture content exhibited the highest variation. Critical values defined by equilibrium relative humidity were most consistent, and this is likely due to equilibrium relative humidity being the most relevant moisture parameter to microbial growth, since it is a reasonable measure of moisture available at surfaces, where fungi often proliferate. Several sources concur that surface moisture, particularly liquid water, is the prominent factor influencing microbial changes and that moisture in the air and within a material are of lesser importance. However, even if surface moisture is assessed, a single critical moisture level to prevent fungal growth cannot be defined, due to a number of factors, including variations in fungal genera and/or species, temperature, and nutrient availability. Despite these complexities, meaningful measurements can still be made to inform fungal growth by making localised, long-term, and continuous measurements of surface moisture. Such an approach will capture variations in a material's surface moisture, which could provide insight on a number of conditions that could lead to fungal proliferation.

Hot Deformation and Dynamic Recrystallization Behavior of the Cu-Cr-Zr-Y Alloy

NASA Astrophysics Data System (ADS)

Zhang, Yi; Huili, Sun; Volinsky, Alex A.; Tian, Baohong; Chai, Zhe; Liu, Ping; Liu, Yong

2016-03-01

To study the workability and to optimize the hot deformation processing parameters of the Cu-Cr-Zr-Y alloy, the strain hardening effect and dynamic softening behavior of the Cu-Cr-Zr-Y alloy were investigated. The flow stress increases with the strain rate and stress decreases with deformation temperature. The critical conditions, including the critical strain and stress for the occurrence of dynamic recrystallization, were determined based on the alloy strain hardening rate. The critical stress related to the onset of dynamic recrystallization decreases with temperature. The evolution of DRX microstructure strongly depends on the deformation temperature and the strain rate. Dynamic recrystallization appears at high temperatures and low strain rates. The addition of Y can refine the grain and effectively accelerate dynamic recrystallization. Dislocation generation and multiplication are the main hot deformation mechanisms for the alloy. The deformation temperature increase and the strain rate decrease can promote dynamic recrystallization of the alloy.

Voltage Imaging of Waking Mouse Cortex Reveals Emergence of Critical Neuronal Dynamics

PubMed Central

Scott, Gregory; Fagerholm, Erik D.; Mutoh, Hiroki; Leech, Robert; Sharp, David J.; Shew, Woodrow L.

2014-01-01

Complex cognitive processes require neuronal activity to be coordinated across multiple scales, ranging from local microcircuits to cortex-wide networks. However, multiscale cortical dynamics are not well understood because few experimental approaches have provided sufficient support for hypotheses involving multiscale interactions. To address these limitations, we used, in experiments involving mice, genetically encoded voltage indicator imaging, which measures cortex-wide electrical activity at high spatiotemporal resolution. Here we show that, as mice recovered from anesthesia, scale-invariant spatiotemporal patterns of neuronal activity gradually emerge. We show for the first time that this scale-invariant activity spans four orders of magnitude in awake mice. In contrast, we found that the cortical dynamics of anesthetized mice were not scale invariant. Our results bridge empirical evidence from disparate scales and support theoretical predictions that the awake cortex operates in a dynamical regime known as criticality. The criticality hypothesis predicts that small-scale cortical dynamics are governed by the same principles as those governing larger-scale dynamics. Importantly, these scale-invariant principles also optimize certain aspects of information processing. Our results suggest that during the emergence from anesthesia, criticality arises as information processing demands increase. We expect that, as measurement tools advance toward larger scales and greater resolution, the multiscale framework offered by criticality will continue to provide quantitative predictions and insight on how neurons, microcircuits, and large-scale networks are dynamically coordinated in the brain. PMID:25505314

Ground-based Remote Sensing for Quantifying Subsurface and Surface Co-variability to Scale Arctic Ecosystem Functioning

NASA Astrophysics Data System (ADS)

Oktem, R.; Wainwright, H. M.; Curtis, J. B.; Dafflon, B.; Peterson, J.; Ulrich, C.; Hubbard, S. S.; Torn, M. S.

2016-12-01

Predicting carbon cycling in Arctic requires quantifying tightly coupled surface and subsurface processes including permafrost, hydrology, vegetation and soil biogeochemistry. The challenge has been a lack of means to remotely sense key ecosystem properties in high resolution and over large areas. A particular challenge has been characterizing soil properties that are known to be highly heterogeneous. In this study, we exploit tightly-coupled above/belowground ecosystem functioning (e.g., the correlations among soil moisture, vegetation and carbon fluxes) to estimate subsurface and other key properties over large areas. To test this concept, we have installed a ground-based remote sensing platform - a track-mounted tram system - along a 70 m transect in the ice-wedge polygonal tundra near Barrow, Alaska. The tram carries a suite of near-surface remote sensing sensors, including sonic depth, thermal IR, NDVI and multispectral sensors. Joint analysis with multiple ground-based measurements (soil temperature, active layer soil moisture, and carbon fluxes) was performed to quantify correlations and the dynamics of above/belowground processes at unprecedented resolution, both temporally and spatially. We analyzed the datasets with particular focus on correlating key subsurface and ecosystem properties with surface properties that can be measured by satellite/airborne remote sensing over a large area. Our results provided several new insights about system behavior and also opens the door for new characterization approaches. We documented that: (1) soil temperature (at >5 cm depth; critical for permafrost thaw) was decoupled from soil surface temperature and was influenced strongly by soil moisture, (2) NDVI and greenness index were highly correlated with both soil moisture and gross primary productivity (based on chamber flux data), and (3) surface deformation (which can be measured by InSAR) was a good proxy for thaw depth dynamics at non-inundated locations.

Exponential nonlinear electrodynamics and backreaction effects on holographic superconductor in the Lifshitz black hole background

NASA Astrophysics Data System (ADS)

Sherkatghanad, Z.; Mirza, B.; Lalehgani Dezaki, F.

We analytically describe the properties of the s-wave holographic superconductor with the exponential nonlinear electrodynamics in the Lifshitz black hole background in four-dimensions. Employing an assumption the scalar and gauge fields backreact on the background geometry, we calculate the critical temperature as well as the condensation operator. Based on Sturm-Liouville method, we show that the critical temperature decreases with increasing exponential nonlinear electrodynamics and Lifshitz dynamical exponent, z, indicating that condensation becomes difficult. Also we find that the effects of backreaction has a more important role on the critical temperature and condensation operator in small values of Lifshitz dynamical exponent, while z is around one. In addition, the properties of the upper critical magnetic field in Lifshitz black hole background using Sturm-Liouville approach is investigated to describe the phase diagram of the corresponding holographic superconductor in the probe limit. We observe that the critical magnetic field decreases with increasing Lifshitz dynamical exponent, z, and it goes to zero at critical temperature, independent of the Lifshitz dynamical exponent, z.

Representing the effects of alpine grassland vegetation cover on the simulation of soil thermal dynamics by ecosystem models applied to the Qinghai-Tibetan Plateau

USGS Publications Warehouse

Yi, S.; Li, N.; Xiang, B.; Wang, X.; Ye, B.; McGuire, A.D.

2013-01-01

Soil surface temperature is a critical boundary condition for the simulation of soil temperature by environmental models. It is influenced by atmospheric and soil conditions and by vegetation cover. In sophisticated land surface models, it is simulated iteratively by solving surface energy budget equations. In ecosystem, permafrost, and hydrology models, the consideration of soil surface temperature is generally simple. In this study, we developed a methodology for representing the effects of vegetation cover and atmospheric factors on the estimation of soil surface temperature for alpine grassland ecosystems on the Qinghai-Tibetan Plateau. Our approach integrated measurements from meteorological stations with simulations from a sophisticated land surface model to develop an equation set for estimating soil surface temperature. After implementing this equation set into an ecosystem model and evaluating the performance of the ecosystem model in simulating soil temperature at different depths in the soil profile, we applied the model to simulate interactions among vegetation cover, freeze-thaw cycles, and soil erosion to demonstrate potential applications made possible through the implementation of the methodology developed in this study. Results showed that (1) to properly estimate daily soil surface temperature, algorithms should use air temperature, downward solar radiation, and vegetation cover as independent variables; (2) the equation set developed in this study performed better than soil surface temperature algorithms used in other models; and (3) the ecosystem model performed well in simulating soil temperature throughout the soil profile using the equation set developed in this study. Our application of the model indicates that the representation in ecosystem models of the effects of vegetation cover on the simulation of soil thermal dynamics has the potential to substantially improve our understanding of the vulnerability of alpine grassland ecosystems to changes in climate and grazing regimes.

Representing the effects of alpine grassland vegetation cover on the simulation of soil thermal dynamics by ecosystem models applied to the Qinghai-Tibetan Plateau

NASA Astrophysics Data System (ADS)

Yi, S.; Li, N.; Xiang, B.; Wang, X.; Ye, B.; McGuire, A. D.

2013-07-01

surface temperature is a critical boundary condition for the simulation of soil temperature by environmental models. It is influenced by atmospheric and soil conditions and by vegetation cover. In sophisticated land surface models, it is simulated iteratively by solving surface energy budget equations. In ecosystem, permafrost, and hydrology models, the consideration of soil surface temperature is generally simple. In this study, we developed a methodology for representing the effects of vegetation cover and atmospheric factors on the estimation of soil surface temperature for alpine grassland ecosystems on the Qinghai-Tibetan Plateau. Our approach integrated measurements from meteorological stations with simulations from a sophisticated land surface model to develop an equation set for estimating soil surface temperature. After implementing this equation set into an ecosystem model and evaluating the performance of the ecosystem model in simulating soil temperature at different depths in the soil profile, we applied the model to simulate interactions among vegetation cover, freeze-thaw cycles, and soil erosion to demonstrate potential applications made possible through the implementation of the methodology developed in this study. Results showed that (1) to properly estimate daily soil surface temperature, algorithms should use air temperature, downward solar radiation, and vegetation cover as independent variables; (2) the equation set developed in this study performed better than soil surface temperature algorithms used in other models; and (3) the ecosystem model performed well in simulating soil temperature throughout the soil profile using the equation set developed in this study. Our application of the model indicates that the representation in ecosystem models of the effects of vegetation cover on the simulation of soil thermal dynamics has the potential to substantially improve our understanding of the vulnerability of alpine grassland ecosystems to changes in climate and grazing regimes.

Estimating wetland connectivity to streams in the Prairie Pothole Region: An isotopic and remote sensing approach

USGS Publications Warehouse

Brooks, J. R.; Mushet, David M.; Vanderhoof, Melanie; Leibowitz, Scott G.; Neff, Brian; Christensen, J. R.; Rosenberry, Donald O.; Rugh, W. D.; Alexander, L.C.

2018-01-01

Understanding hydrologic connectivity between wetlands and perennial streams is critical to understanding the reliance of stream flow on inputs from wetlands. We used the isotopic evaporation signal in water and remote sensing to examine wetland‐stream hydrologic connectivity within the Pipestem Creek watershed, North Dakota, a watershed dominated by prairie‐pothole wetlands. Pipestem Creek exhibited an evaporated‐water signal that had approximately half the isotopic‐enrichment signal found in most evaporatively enriched prairie‐pothole wetlands. Groundwater adjacent to Pipestem Creek had isotopic values that indicated recharge from winter precipitation and had no significant evaporative enrichment, indicating that enriched surface water did not contribute significantly to groundwater discharging into Pipestem Creek. The estimated surface water area necessary to generate the evaporation signal within Pipestem Creek was highly dynamic, varied primarily with the amount of discharge, and was typically greater than the immediate Pipestem Creek surface water area, indicating that surficial flow from wetlands contributed to stream flow throughout the summer. We propose a dynamic range of spilling thresholds for prairie‐pothole wetlands across the watershed allowing for wetland inputs even during low‐flow periods. Combining Landsat estimates with the isotopic approach allowed determination of potential (Landsat) and actual (isotope) contributing areas in wetland‐dominated systems. This combined approach can give insights into the changes in location and magnitude of surface water and groundwater pathways over time. This approach can be used in other areas where evaporation from wetlands results in a sufficient evaporative isotopic signal.

Arctic ecosystem functional zones: identification and quantification using an above and below ground monitoring strategy

NASA Astrophysics Data System (ADS)

Hubbard, Susan S.; Ajo-Franklin, Jonathan B.; Dafflon, Baptiste; Dou, Shan; Kneafsey, Tim J.; Peterson, John E.; Tas, Neslihan; Torn, Margaret S.; Phuong Tran, Anh; Ulrich, Craig; Wainwright, Haruko; Wu, Yuxin; Wullschleger, Stan

2015-04-01

Although accurate prediction of ecosystem feedbacks to climate requires characterization of the properties that influence terrestrial carbon cycling, performing such characterization is challenging due to the disparity of scales involved. This is particularly true in vulnerable Arctic ecosystems, where microbial activities leading to the production of greenhouse gasses are a function of small-scale hydrological, geochemical, and thermal conditions influenced by geomorphology and seasonal dynamics. As part of the DOE Next-Generation Ecosystem Experiment (NGEE-Arctic), we are advancing two approaches to improve the characterization of complex Arctic ecosystems, with an initial application to an ice-wedge polygon dominated tundra site near Barrow, AK, USA. The first advance focuses on developing a new strategy to jointly monitor above- and below- ground properties critical for carbon cycling in the tundra. The strategy includes co-characterization of properties within the three critical ecosystem compartments: land surface (vegetation, water inundation, snow thickness, and geomorphology); active layer (peat thickness, soil moisture, soil texture, hydraulic conductivity, soil temperature, and geochemistry); and permafrost (mineral soil and ice content, nature, and distribution). Using a nested sampling strategy, a wide range of measurements have been collected at the study site over the past three years, including: above-ground imagery (LiDAR, visible, near infrared, NDVI) from various platforms, surface geophysical datasets (electrical, electromagnetic, ground penetrating radar, seismic), and point measurements (such as CO2 and methane fluxes, soil properties, microbial community composition). A subset of the coincident datasets is autonomously collected daily. Laboratory experiments and new inversion approaches are used to improve interpretation of the field geophysical datasets in terms of ecosystem properties. The new strategy has significantly advanced our ability to characterize and monitor ecosystem functioning - within and across permafrost, active layer and land-surface compartments and as a function of geomorphology and seasonal dynamics (thaw, growing season, freeze-up, and winter seasons). The second construct uses statistical approaches with the rich datasets to identify Arctic functional zones. Functional zones are regions in the landscape that have unique assemblages of above- and below-ground properties relevant to ecosystem functioning. Results demonstrate the strong co-variation of above and below ground properties in this Arctic ecosystem, particularly highlighting the critical influence of soil moisture on vegetation dynamics and redox-based active-layer biogeochemistry important for carbon cycling. The results also indicate that polygon types (low centered, high centered) have more power to explain the variations in properties than polygon features (trough, rim, center). This finding allows delineation of functional zones through grouping contiguous, similar types of polygons using remote sensing and surface geophysical datasets. Applied to the tundra NGEE study site, the functional zone approach permitted aggregation of critical properties associated with ~1350 polygons and their individual features, which vary over centimeter-to-meter length scales, into a few functional zones having suites of co-varying properties that were tractably defined over ~hundred meter length scales. The developed above-and-below ground monitoring strategy and functional zone approach are proving to be extremely valuable for gaining new insights about a complex Arctic ecosystem and for characterizing the system properties at high resolution and yet with spatial extents relevant for informing models focused on simulating ecosystem-climate feedbacks.

Surface dynamics of voltage-gated ion channels.

PubMed

Heine, Martin; Ciuraszkiewicz, Anna; Voigt, Andreas; Heck, Jennifer; Bikbaev, Arthur

2016-07-03

Neurons encode information in fast changes of the membrane potential, and thus electrical membrane properties are critically important for the integration and processing of synaptic inputs by a neuron. These electrical properties are largely determined by ion channels embedded in the membrane. The distribution of most ion channels in the membrane is not spatially uniform: they undergo activity-driven changes in the range of minutes to days. Even in the range of milliseconds, the composition and topology of ion channels are not static but engage in highly dynamic processes including stochastic or activity-dependent transient association of the pore-forming and auxiliary subunits, lateral diffusion, as well as clustering of different channels. In this review we briefly discuss the potential impact of mobile sodium, calcium and potassium ion channels and the functional significance of this for individual neurons and neuronal networks.

Surface dynamics of voltage-gated ion channels

PubMed Central

Heine, Martin; Ciuraszkiewicz, Anna; Voigt, Andreas; Heck, Jennifer; Bikbaev, Arthur

2016-01-01

ABSTRACT Neurons encode information in fast changes of the membrane potential, and thus electrical membrane properties are critically important for the integration and processing of synaptic inputs by a neuron. These electrical properties are largely determined by ion channels embedded in the membrane. The distribution of most ion channels in the membrane is not spatially uniform: they undergo activity-driven changes in the range of minutes to days. Even in the range of milliseconds, the composition and topology of ion channels are not static but engage in highly dynamic processes including stochastic or activity-dependent transient association of the pore-forming and auxiliary subunits, lateral diffusion, as well as clustering of different channels. In this review we briefly discuss the potential impact of mobile sodium, calcium and potassium ion channels and the functional significance of this for individual neurons and neuronal networks. PMID:26891382

ICESAT Laser Altimeter Pointing, Ranging and Timing Calibration from Integrated Residual Analysis

NASA Technical Reports Server (NTRS)

Luthcke, Scott B.; Rowlands, D. D.; Carabajal, C. C.; Harding, D. H.; Bufton, J. L.; Williams, T. A.

2003-01-01

On January 12, 2003 the Ice, Cloud and land Elevation Satellite (ICESat) was successfully placed into orbit. The ICESat mission carries the Geoscience Laser Altimeter System (GLAS), which has a primary measurement of short-pulse laser- ranging to the Earth s surface at 1064nm wavelength at a rate of 40 pulses per second. The instrument has collected precise elevation measurements of the ice sheets, sea ice roughness and thickness, ocean and land surface elevations and surface reflectivity. The accurate geolocation of GLAS s surface returns, the spots from which the laser energy reflects on the Earth s surface, is a critical issue in the scientific application of these data. Pointing, ranging, timing and orbit errors must be compensated to accurately geolocate the laser altimeter surface returns. Towards this end, the laser range observations can be fully exploited in an integrated residual analysis to accurately calibrate these geolocation/instrument parameters. ICESat laser altimeter data have been simultaneously processed as direct altimetry from ocean sweeps along with dynamic crossovers in order to calibrate pointing, ranging and timing. The calibration methodology and current calibration results are discussed along with future efforts.

Co-Requirement of PICK1 Binding and PKC Phosphorylation for Stable Surface Expression of the Metabotropic Glutamate Receptor mGluR7

PubMed Central

Suh, Young Ho; Pelkey, Kenneth A.; Lavezzari, Gabriela; Roche, Paul A.; Huganir, Richard L.; McBain, Chris J.; Roche, Katherine W.

2008-01-01

SUMMARY The presynaptic metabotropic glutamate receptor (mGluR) mGluR7 modulates excitatory neurotransmission by regulating neurotransmitter release, and plays a critical role in certain forms of synaptic plasticity. Although the dynamic regulation of mGluR7 surface expression governs a novel form of metaplasticity in the hippocampus, little is known about the molecular mechanisms regulating mGluR7 trafficking. We now show that mGluR7 surface expression is stabilized by both PKC phosphorylation and by receptor binding to the PDZ domain-containing protein PICK1. Phosphorylation of mGluR7 on serine 862 (S862) inhibits CaM binding thereby increasing mGluR7 surface expression and receptor binding to PICK1. Furthermore, in mice lacking PICK1, PKC-dependent increases in mGluR7 phosphorylation and surface expression are diminished, and mGluR7-dependent plasticity at mossy fiber-interneuron hippocampal synapses is impaired. These data support a model in which PICK1 binding and PKC phosphorylation act together to stabilize mGluR7 on the cell surface in vivo. PMID:18549785

Superfluid in a shaken optical lattice: quantum critical dynamics and topological defect engineering

NASA Astrophysics Data System (ADS)

Gaj, Anita; Feng, Lei; Clark, Logan W.; Chin, Cheng

2017-04-01

We present our recent studies of non-equilibrium dynamics in Bose-Einstein condensates using the shaken optical lattice. By increasing the shaking amplitude we observe a quantum phase transition from an ordinary superfluid to an effectively ferromagnetic superfluid composed of discrete domains with different quasi-momentum. We investigate the critical dynamics during which the domain structure and domain walls emerge. We demonstrate the use of a digital micromirror device to deterministically create desired domain structure. Using this technique we develop a clearer picture of the quantum critical dynamics at early times and its impact on the domain structure long after the transition.

Critical Behaviors in Contagion Dynamics.

PubMed

Böttcher, L; Nagler, J; Herrmann, H J

2017-02-24

We study the critical behavior of a general contagion model where nodes are either active (e.g., with opinion A, or functioning) or inactive (e.g., with opinion B, or damaged). The transitions between these two states are determined by (i) spontaneous transitions independent of the neighborhood, (ii) transitions induced by neighboring nodes, and (iii) spontaneous reverse transitions. The resulting dynamics is extremely rich including limit cycles and random phase switching. We derive a unifying mean-field theory. Specifically, we analytically show that the critical behavior of systems whose dynamics is governed by processes (i)-(iii) can only exhibit three distinct regimes: (a) uncorrelated spontaneous transition dynamics, (b) contact process dynamics, and (c) cusp catastrophes. This ends a long-standing debate on the universality classes of complex contagion dynamics in mean field and substantially deepens its mathematical understanding.

State diagram for adhesion dynamics of deformable capsules under shear flow.

PubMed

Luo, Zheng Yuan; Bai, Bo Feng

2016-08-17

Due to the significance of understanding the underlying mechanisms of cell adhesion in biological processes and cell capture in biomedical applications, we numerically investigate the adhesion dynamics of deformable capsules under shear flow by using a three-dimensional computational fluid dynamic model. This model is based on the coupling of the front tracking-finite element method for elastic mechanics of the capsule membrane and the adhesion kinetics simulation for adhesive interactions between capsules and functionalized surfaces. Using this model, three distinct adhesion dynamic states are predicted, such as detachment, rolling and firm-adhesion. Specifically, the effects of capsule deformability quantified by the capillary number on the transitions of these three dynamic states are investigated by developing an adhesion dynamic state diagram for the first time. At low capillary numbers (e.g. Ca < 0.0075), whole-capsule deformation confers the capsule a flattened bottom in contact with the functionalized surface, which hence promotes the rolling-to-firm-adhesion transition. It is consistent with the observations from previous studies that cell deformation promotes the adhesion of cells lying in the rolling regime. However, it is surprising to find that, at relatively high capillary numbers (e.g. 0.0075 < Ca < 0.0175), the effect of capsule deformability on its adhesion dynamics is far more complex than just promoting adhesion. High deformability of capsules makes their bottom take a concave shape with no adhesion bond formation in the middle. The appearance of this specific capsule shape inhibits the transitions of both rolling-to-firm-adhesion and detachment-to-rolling, and it means that capsule deformation no longer promotes the capsule adhesion. Besides, it is interesting to note that, when the capillary number exceeds a critical value (e.g. Ca = 0.0175), the rolling state no longer appears, since capsules exhibit large deviation from the spherical shape.

Critical thresholds in sea lice epidemics: evidence, sensitivity and subcritical estimation

PubMed Central

Frazer, L. Neil; Morton, Alexandra; Krkošek, Martin

2012-01-01

Host density thresholds are a fundamental component of the population dynamics of pathogens, but empirical evidence and estimates are lacking. We studied host density thresholds in the dynamics of ectoparasitic sea lice (Lepeophtheirus salmonis) on salmon farms. Empirical examples include a 1994 epidemic in Atlantic Canada and a 2001 epidemic in Pacific Canada. A mathematical model suggests dynamics of lice are governed by a stable endemic equilibrium until the critical host density threshold drops owing to environmental change, or is exceeded by stocking, causing epidemics that require rapid harvest or treatment. Sensitivity analysis of the critical threshold suggests variation in dependence on biotic parameters and high sensitivity to temperature and salinity. We provide a method for estimating the critical threshold from parasite abundances at subcritical host densities and estimate the critical threshold and transmission coefficient for the two epidemics. Host density thresholds may be a fundamental component of disease dynamics in coastal seas where salmon farming occurs. PMID:22217721

Correlations induced by depressing synapses in critically self-organized networks with quenched dynamics

NASA Astrophysics Data System (ADS)

Campos, João Guilherme Ferreira; Costa, Ariadne de Andrade; Copelli, Mauro; Kinouchi, Osame

2017-04-01

In a recent work, mean-field analysis and computer simulations were employed to analyze critical self-organization in networks of excitable cellular automata where randomly chosen synapses in the network were depressed after each spike (the so-called annealed dynamics). Calculations agree with simulations of the annealed version, showing that the nominal branching ratio σ converges to unity in the thermodynamic limit, as expected of a self-organized critical system. However, the question remains whether the same results apply to the biological case where only the synapses of firing neurons are depressed (the so-called quenched dynamics). We show that simulations of the quenched model yield significant deviations from σ =1 due to spatial correlations. However, the model is shown to be critical, as the largest eigenvalue of the synaptic matrix approaches unity in the thermodynamic limit, that is, λc=1 . We also study the finite size effects near the critical state as a function of the parameters of the synaptic dynamics.

Application of the Actor-Critic Architecture to Functional Electrical Stimulation Control of a Human Arm.

PubMed

Thomas, Philip; Branicky, Michael; van den Bogert, Antonie; Jagodnik, Kathleen

2009-01-01

Clinical tests have shown that the dynamics of a human arm, controlled using Functional Electrical Stimulation (FES), can vary significantly between and during trials. In this paper, we study the application of the actor-critic architecture, with neural networks for the both the actor and the critic, as a controller that can adapt to these changing dynamics of a human arm. Development and tests were done in simulation using a planar arm model and Hill-based muscle dynamics. We begin by training it using a Proportional Derivative (PD) controller as a supervisor. We then make clinically relevant changes to the dynamics of the arm and test the actor-critic's ability to adapt without supervision in a reasonable number of episodes. Finally, we devise methods for achieving both rapid learning and long-term stability.

Properties of an αs-casein-rich casein fraction: influence of dialysis on surface properties, miscibility, and micelle formation.

PubMed

Kessler, Anne; Menéndez-Aguirre, Orquidéa; Hinrichs, Jörg; Stubenrauch, Cosima; Weiss, Jochen

2013-09-01

In this study, the surface tension, miscibility, and particle size distribution of a solution containing an αs-casein (CN)-rich CN fraction (54 wt % αs-CN, 32 wt % β-CN, and 15 wt % κ-CN) were determined at pH 6.6. The nondialyzed CN fraction was compared with a dialyzed one. In the nondialyzed sample, every charge on the protein was compensated by 0.3 charges coming from counterions, whereas in the dialyzed sample, only 0.2 charges could be assigned to each charge on the protein. This relation was determined by calculating the charges at the proteins, taking the measured mineral content into account. The surface tension was measured as a function of the protein concentration by the du Noüy ring method at room temperature. Results indicated alterations in the surface properties after reduction of counterions. The equilibrium surface tension above the critical micelle concentration increased from 40.1×10(-3) to 45×10(-3) N/m, the critical micelle concentration increased from 0.9×10(-4) to 2×10(-3) mol/L, and the minimal area occupied per molecule at the surface increased from 2.4×10(-18) to 4.6×10(-18) m(2). Cloud points were determined by measuring the absorbance of CN solutions as a function of the temperature. The cloud points were found to be concentration dependent and had a minimum at 0.2 wt % at 34°C for nondialyzed CN and at 0.25 wt % at 28°C for dialyzed CN, again demonstrating the influence of counterion reduction. Below the cloud point, a micellar phase was found to exist. The hydrodynamic diameter of the micelles were characterized by dynamic light scattering in both auto- and cross-correlation mode. However, no influence of reduction in counterions could be observed, possibly due to the fact that dynamic light scattering is not a suitable method for this type of system. The presence of self-assembled structures was verified by freeze-fracture electron microscopy. The observed differences between dialyzed and nondialyzed samples were explained by changes in the counterion cloud surrounding the proteins. Consequently, the electrostatic interactions between as well as within the CN are altered by dialysis, which, in turn, affects the behavior at the surface as well as the properties in the solution. Copyright © 2013 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Universal Off-Equilibrium Scaling of Critical Cumulants in the QCD Phase Diagram

DOE PAGES

Mukherjee, Swagato; Venugopalan, Raju; Yin, Yi

2016-11-23

Exploiting the universality between the QCD critical point and the three-dimensional Ising model, closed form expressions derived for nonequilibrium critical cumulants on the crossover side of the critical point reveal that they can differ in both magnitude and sign from equilibrium expectations. Here, we demonstrate here that key elements of the Kibble-Zurek framework of nonequilibrium phase transitions can be employed to describe the dynamics of these critical cumulants. Lastly, our results suggest that observables sensitive to critical dynamics in heavy-ion collisions should be expressible as universal scaling functions, thereby providing powerful model-independent guidance in searches for the QCD critical point.

Coupled Land-Atmosphere Dynamics Govern Long Duration Floods: A Pilot Study in Missouri River Basin Using a Bayesian Hierarchical Model

NASA Astrophysics Data System (ADS)

Najibi, N.; Lu, M.; Devineni, N.

2017-12-01

Long duration floods cause substantial damages and prolonged interruptions to water resource facilities and critical infrastructure. We present a novel generalized statistical and physical based model for flood duration with a deeper understanding of dynamically coupled nexus of the land surface wetness, effective atmospheric circulation and moisture transport/release. We applied the model on large reservoirs in the Missouri River Basin. The results indicate that the flood duration is not only a function of available moisture in the air, but also the antecedent condition of the blocking system of atmospheric pressure, resulting in enhanced moisture convergence, as well as the effectiveness of moisture condensation process leading to release. Quantifying these dynamics with a two-layer climate informed Bayesian multilevel model, we explain more than 80% variations in flood duration. The model considers the complex interaction between moisture transport, synoptic-to-large-scale atmospheric circulation pattern, and the antecedent wetness condition in the basin. Our findings suggest that synergy between a large low-pressure blocking system and a higher rate of divergent wind often triggers a long duration flood, and the prerequisite for moisture supply to trigger such event is moderate, which is more associated with magnitude than duration. In turn, this condition causes an extremely long duration flood if the surface wetness rate advancing to the flood event was already increased.

Criticality meets learning: Criticality signatures in a self-organizing recurrent neural network

PubMed Central

Del Papa, Bruno; Priesemann, Viola

2017-01-01

Many experiments have suggested that the brain operates close to a critical state, based on signatures of criticality such as power-law distributed neuronal avalanches. In neural network models, criticality is a dynamical state that maximizes information processing capacities, e.g. sensitivity to input, dynamical range and storage capacity, which makes it a favorable candidate state for brain function. Although models that self-organize towards a critical state have been proposed, the relation between criticality signatures and learning is still unclear. Here, we investigate signatures of criticality in a self-organizing recurrent neural network (SORN). Investigating criticality in the SORN is of particular interest because it has not been developed to show criticality. Instead, the SORN has been shown to exhibit spatio-temporal pattern learning through a combination of neural plasticity mechanisms and it reproduces a number of biological findings on neural variability and the statistics and fluctuations of synaptic efficacies. We show that, after a transient, the SORN spontaneously self-organizes into a dynamical state that shows criticality signatures comparable to those found in experiments. The plasticity mechanisms are necessary to attain that dynamical state, but not to maintain it. Furthermore, onset of external input transiently changes the slope of the avalanche distributions – matching recent experimental findings. Interestingly, the membrane noise level necessary for the occurrence of the criticality signatures reduces the model’s performance in simple learning tasks. Overall, our work shows that the biologically inspired plasticity and homeostasis mechanisms responsible for the SORN’s spatio-temporal learning abilities can give rise to criticality signatures in its activity when driven by random input, but these break down under the structured input of short repeating sequences. PMID:28552964

Surface critical behavior of thin Ising films at the ‘special point’

NASA Astrophysics Data System (ADS)

Moussa, Najem; Bekhechi, Smaine

2003-03-01

The critical surface phenomena of a magnetic thin Ising film is studied using numerical Monte-Carlo method based on Wolff cluster algorithm. With varying the surface coupling, js= Js/ J, the phase diagram exhibits a special surface coupling jsp at which all the films have a unique critical temperature Tc for an arbitrary thickness n. In spite of this, the critical exponent of the surface magnetization at the special point is found to increase with n. Moreover, non-universal features as well as dimensionality crossover from two- to three-dimensional behavior are found at this point.

Coherent inflationary dynamics for Bose-Einstein condensates crossing a quantum critical point

NASA Astrophysics Data System (ADS)

Feng, Lei; Clark, Logan W.; Gaj, Anita; Chin, Cheng

2018-03-01

Quantum phase transitions, transitions between many-body ground states, are of extensive interest in research ranging from condensed-matter physics to cosmology1-4. Key features of the phase transitions include a stage with rapidly growing new order, called inflation in cosmology5, followed by the formation of topological defects6-8. How inflation is initiated and evolves into topological defects remains a hot topic of debate. Ultracold atomic gas offers a pristine and tunable platform to investigate quantum critical dynamics9-21. We report the observation of coherent inflationary dynamics across a quantum critical point in driven Bose-Einstein condensates. The inflation manifests in the exponential growth of density waves and populations in well-resolved momentum states. After the inflation stage, extended coherent dynamics is evident in both real and momentum space. We present an intuitive description of the quantum critical dynamics in our system and demonstrate the essential role of phase fluctuations in the formation of topological defects.

A direct estimate of evapotranspiration over the Amazon basin and implications for our understanding of carbon and water cycling

NASA Astrophysics Data System (ADS)

Swann, A. L. S.; Koven, C.; Lombardozzi, D.; Bonan, G. B.

2017-12-01

Evapotranspiration (ET) is a critical term in the surface energy budget as well as the water cycle. There are few direct measurements of ET, and thus the magnitude and variability is poorly constrained at large spatial scales. Estimates of the annual cycle of ET over the Amazon are critical because they influence predictions of the seasonal cycle of carbon fluxes, as well as atmospheric dynamics and circulation. We estimate ET for the Amazon basin using a water budget approach, by differencing rainfall, discharge, and time-varying storage from the Gravity Recovery and Climate Experiment. We find that the climatological annual cycle of ET over the Amazon basin upstream of Óbidos shows suppression of ET during the wet season, and higher ET during the dry season, consistent with flux tower based observations in seasonally dry forests. We also find a statistically significant decrease in ET over the time period 2002-2015 of -1.46 mm/yr. Our direct estimate of the seasonal cycle of ET is largely consistent with previous indirect estimates, including energy budget based approaches, an up-scaled station based estimate, and land surface model estimates, but suggests that suppression of ET during the wet season is underestimated by existing products. We further quantify possible contributors to the phasing of the seasonal cycle and downward time trend using land surface models.

An integrated platform for assessing biologics (Conference Presentation)

NASA Astrophysics Data System (ADS)

Schein, Perry; O'Dell, Dakota; Erickson, David

2016-04-01

Protein therapeutics are a rapidly growing portion of the pharmaceuticals market and have many significant advantages over traditional small molecule drugs. As this market expands, however, critical regulatory and quality control issues remain, most notably the problem of protein aggregation. Individual target proteins often aggregate into larger masses which trigger an immune response in the body, which can reduce the efficacy of the drug for its intended purpose, or cause serious anaphylactic side-effects. Although detecting and minimizing aggregate formation is critical to ensure an effective product, aggregation dynamics are often highly complicated and there is little hope of reliable prediction and prevention from first principles. This problem is compounded for aggregates in the subvisible range of 100 nm to 10 micrometers where traditional techniques for detecting aggregates have significant limitations. Here, we present an integrated optofluidic platform for detecting nanoscale protein aggregates and characterizing interactions between these aggregates and a reference surface. By delivering light to a solution of proteins with an optical waveguide, scattered light from individual protein aggregates can be detected and analyzed to determine the force profile between each particle and the waveguide surface. Unlike existing methods which only determine size or charge, our label-free screening technique can directly measure the surface interaction forces between single aggregates and the glass substrate. This direct measurement capability may allow for better empirical predictions of the stability of protein aggregates during drug manufacturing and storage.

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

Mukherjee, Swagato; Venugopalan, Raju; Yin, Yi

Exploiting the universality between the QCD critical point and the three-dimensional Ising model, closed form expressions derived for nonequilibrium critical cumulants on the crossover side of the critical point reveal that they can differ in both magnitude and sign from equilibrium expectations. Here, we demonstrate here that key elements of the Kibble-Zurek framework of nonequilibrium phase transitions can be employed to describe the dynamics of these critical cumulants. Lastly, our results suggest that observables sensitive to critical dynamics in heavy-ion collisions should be expressible as universal scaling functions, thereby providing powerful model-independent guidance in searches for the QCD critical point.

Characterizing an Integrated Annual Global Measure of the Earth's Maximum Land Surface Temperatures from 2003 to 2012 Reveals Strong Biogeographic Influences

NASA Astrophysics Data System (ADS)

Mildrexler, D. J.; Zhao, M.; Running, S. W.

2014-12-01

Land Surface Temperature (LST) is a good indicator of the surface energy balance because it is determined by interactions and energy fluxes between the atmosphere and the ground. The variability of land surface properties and vegetation densities across the Earth's surface changes these interactions and gives LST a unique biogeographic influence. Natural and human-induced disturbances modify the surface characteristics and alter the expression of LST. This results in a heterogeneous and dynamic thermal environment. Measurements that merge these factors into a single global metric, while maintaining the important biophysical and biogeographical factors of the land surface's thermal environment are needed to better understand integrated temperature changes in the Earth system. Using satellite-based LST we have developed a new global metric that focuses on one critical component of LST that occurs when the relationship between vegetation density and surface temperature is strongly coupled: annual maximum LST (LSTmax). A 10 year evaluation of LSTmax histograms that include every 1-km pixel across the Earth's surface reveals that this integrative measurement is strongly influenced by the biogeographic patterns of the Earth's ecosystems, providing a unique comparative view of the planet every year that can be likened to the Earth's thermal maximum fingerprint. The biogeographical component is controlled by the frequency and distribution of vegetation types across the Earth's land surface and displays a trimodal distribution. The three modes are driven by ice covered polar regions, forests, and hot desert/shrubland environments. In ice covered areas the histograms show that the heat of fusion results in a convergence of surface temperatures around the melting point. The histograms also show low interannual variability reflecting two important global land surface dynamics; 1) only a small fraction of the Earth's surface is disturbed in any given year, and 2) when considered at the global scale, the positive and negative climate forcings resulting from the aggregate effects of the loss of vegetation to disturbances and the regrowth from natural succession are roughly in balance. Changes in any component of the histogram can be tracked and would indicate a major change in the Earth system.

Lifetime of Bubble Rafts: Cooperativity and Avalanches

NASA Astrophysics Data System (ADS)

Ritacco, Hernán; Kiefer, Flavien; Langevin, Dominique

2007-06-01

We have studied the collapse of pseudo-bi-dimensional foams. These foams are made of uniformly sized soap bubbles packed in an hexagonal lattice sitting at the top of a liquid surface. The collapse process follows the sequence: (1) rupture of a first bubble, driven by thermal fluctuations and (2) a cascade of bursting bubbles. We present a simple numerical model which captures the main characteristics of the dynamics of foam collapse. We show that in a certain range of viscosities of the foaming solutions, the size distribution of the avalanches follows power laws as in self-organized criticality processes.

Lifetime of bubble rafts: cooperativity and avalanches.

PubMed

Ritacco, Hernán; Kiefer, Flavien; Langevin, Dominique

2007-06-15

We have studied the collapse of pseudo-bi-dimensional foams. These foams are made of uniformly sized soap bubbles packed in an hexagonal lattice sitting at the top of a liquid surface. The collapse process follows the sequence: (1) rupture of a first bubble, driven by thermal fluctuations and (2) a cascade of bursting bubbles. We present a simple numerical model which captures the main characteristics of the dynamics of foam collapse. We show that in a certain range of viscosities of the foaming solutions, the size distribution of the avalanches follows power laws as in self-organized criticality processes.

Numerical modeling of the energy storage and release in solar flares

NASA Technical Reports Server (NTRS)

Wu, S. T.; Weng, F. S.

1993-01-01

This paper reports on investigation of the photospheric magnetic field-line footpoint motion (usually referred to as shear motion) and magnetic flux emerging from below the surface in relation to energy storage in a solar flare. These causality relationships are demonstrated by using numerical magnetohydrodynamic simulations. From these results, one may conclude that the energy stored in solar flares is in the form of currents. The dynamic process through which these currents reach a critical value is discussed as well as how these currents lead to energy release, such as the explosive events of solar flares.

Fatigue failure of pb-free electronic packages under random vibration loads

NASA Astrophysics Data System (ADS)

Saravanan, S.; Prabhu, S.; Muthukumar, R.; Gowtham Raj, S.; Arun Veerabagu, S.

2018-03-01

The electronic equipment are used in several fields like, automotive, aerospace, consumer goods where they are subjected to vibration loads leading to failure of solder joints used in these equipment. This paper presents a methodology to predict the fatigue life of Pb-free surface mounted BGA packages subjected to random vibrations. The dynamic characteristics of the PCB, such as the natural frequencies, mode shapes and damping ratios were determined. Spectrum analysis was used to determine the stress response of the critical solder joint and the cumulative fatigue damage accumulated by the solder joint for a specific duration was determined.

Viscosity of particulate soap films: approaching the jamming of 2D capillary suspensions.

PubMed

Timounay, Yousra; Rouyer, Florence

2017-05-14

We compute the effective viscosity of particulate soap films thanks to local velocity fields obtained by Particle Image Velocimetry (PIV) during film retraction experiments. We identify the jamming of these 2D capillary suspensions at a critical particle surface fraction (≃0.84) where effective viscosity diverges. Pair correlation function and number of neighbors in contact or close to contact reveal the cohesive nature of this 2D capillary granular media. The experimental 2D dynamic viscosities can be predicted by a model considering viscous dissipation at the liquid interfaces induced by the motion of individual particles.

Dynamic recrystallization in friction surfaced austenitic stainless steel coatings

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

Puli, Ramesh, E-mail: rameshpuli2000@gmail.com; Janaki Ram, G.D.

2012-12-15

Friction surfacing involves complex thermo-mechanical phenomena. In this study, the nature of dynamic recrystallization in friction surfaced austenitic stainless steel AISI 316L coatings was investigated using electron backscattered diffraction and transmission electron microscopy. The results show that the alloy 316L undergoes discontinuous dynamic recrystallization under conditions of moderate Zener-Hollomon parameter during friction surfacing. - Highlights: Black-Right-Pointing-Pointer Dynamic recrystallization in alloy 316L friction surfaced coatings is examined. Black-Right-Pointing-Pointer Friction surfacing leads to discontinuous dynamic recrystallization in alloy 316L. Black-Right-Pointing-Pointer Strain rates in friction surfacing exceed 400 s{sup -1}. Black-Right-Pointing-Pointer Estimated grain size matches well with experimental observations in 316L coatings.

Collective motion of macroscopic spheres floating on capillary ripples: Dynamic heterogeneity and dynamic criticality

NASA Astrophysics Data System (ADS)

Sanlı, Ceyda; Saitoh, Kuniyasu; Luding, Stefan; van der Meer, Devaraj

2014-09-01

When a densely packed monolayer of macroscopic spheres floats on chaotic capillary Faraday waves, a coexistence of large scale convective motion and caging dynamics typical for glassy systems is observed. We subtract the convective mean flow using a coarse graining (homogenization) method and reveal subdiffusion for the caging time scales followed by a diffusive regime at later times. We apply the methods developed to study dynamic heterogeneity and show that the typical time and length scales of the fluctuations due to rearrangements of observed particle groups significantly increase when the system approaches its largest experimentally accessible packing concentration. To connect the system to the dynamic criticality literature, we fit power laws to our results. The resultant critical exponents are consistent with those found in densely packed suspensions of colloids.

Collective motion of macroscopic spheres floating on capillary ripples: dynamic heterogeneity and dynamic criticality.

PubMed

Sanlı, Ceyda; Saitoh, Kuniyasu; Luding, Stefan; van der Meer, Devaraj

2014-09-01

When a densely packed monolayer of macroscopic spheres floats on chaotic capillary Faraday waves, a coexistence of large scale convective motion and caging dynamics typical for glassy systems is observed. We subtract the convective mean flow using a coarse graining (homogenization) method and reveal subdiffusion for the caging time scales followed by a diffusive regime at later times. We apply the methods developed to study dynamic heterogeneity and show that the typical time and length scales of the fluctuations due to rearrangements of observed particle groups significantly increase when the system approaches its largest experimentally accessible packing concentration. To connect the system to the dynamic criticality literature, we fit power laws to our results. The resultant critical exponents are consistent with those found in densely packed suspensions of colloids.

Coring the deep critical zone in the Jemez River Basin Critical Zone Observatory, Valles Caldera National Preserve, Northern New Mexico

NASA Astrophysics Data System (ADS)

Moravec, B. G.; White, A. M.; Paras, B.; Sanchez, A.; McGuffy, C.; Fairbanks, D.; McIntosh, J. C.; Pelletier, J. D.; Gallery, R. E.; Rasmussen, C.; Carr, B.; Holbrook, W. S.; Chorover, J.

2016-12-01

The Critical Zone (CZ) is the focus of current interdisciplinary Earth surface science research that aims to describe the interactions between geological and biological processes that influence ecosystem function, soil formation, nutrient and carbon cycling, hydrologic partitioning, biological activity and diversity, and mineral weathering. Prior research at the Catalina-Jemez (C-J) CZO has focused on the CZ near-surface, including remote sensing, and sampling/analysis of vegetation and soil microbiota, soils and saprolite, and surface water. However, the extent to which weathering, water/rock interaction, and solute mobility along flowpaths in the deep CZ respond to near surface CZ processes (i.e. water, energy, and mass fluxes) is not well understood. The goal of the present research is to understand depth-dependent trends in weathering dynamics from the mobile soil to unweathered bedrock in relation to landscape position (hillslope aspect and downgradient hollow). We used diamond core drilling techniques to excavate three boreholes to depths of 18.9, 41.8, and 46.3 meters in an instrumented forested sub-catchment of the C-J CZO in northern New Mexico. Here we present field methodology and preliminary data collected during the field campaign conducted during summer 2016. Element concentrations were measured during core extractions using portable X-ray fluorescence (XRF), which was subsequently validated against bench-scale XRF. Depth-dependent trends in both regolith depth and chemical depletion patterns show significant variation with landscape position. All three boreholes show complex weathering profiles with differences potentially due to textural controls on weathering, development of preferential flowpaths, and differing hydrologic base levels. Preliminary data indicate that chemical depletion patterns are not monotonic, but rather comprise large excursions that are being investigated for their relation to variation in local mineralogical composition and incongruent weathering reactions.

Event-chain algorithm for the Heisenberg model: Evidence for z≃1 dynamic scaling.

PubMed

Nishikawa, Yoshihiko; Michel, Manon; Krauth, Werner; Hukushima, Koji

2015-12-01

We apply the event-chain Monte Carlo algorithm to the three-dimensional ferromagnetic Heisenberg model. The algorithm is rejection-free and also realizes an irreversible Markov chain that satisfies global balance. The autocorrelation functions of the magnetic susceptibility and the energy indicate a dynamical critical exponent z≈1 at the critical temperature, while that of the magnetization does not measure the performance of the algorithm. We show that the event-chain Monte Carlo algorithm substantially reduces the dynamical critical exponent from the conventional value of z≃2.

On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation

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

Garrido, J. M.; Algaba, J.; Blas, F. J., E-mail: felipe@uhu.es

2016-04-14

We have determined the interfacial properties of tetrahydrofuran (THF) from direct simulation of the vapor-liquid interface. The molecules are modeled using six different molecular models, three of them based on the united-atom approach and the other three based on a coarse-grained (CG) approach. In the first case, THF is modeled using the transferable parameters potential functions approach proposed by Chandrasekhar and Jorgensen [J. Chem. Phys. 77, 5073 (1982)] and a new parametrization of the TraPPE force fields for cyclic alkanes and ethers [S. J. Keasler et al., J. Phys. Chem. B 115, 11234 (2012)]. In both cases, dispersive and coulombicmore » intermolecular interactions are explicitly taken into account. In the second case, THF is modeled as a single sphere, a diatomic molecule, and a ring formed from three Mie monomers according to the SAFT-γ Mie top-down approach [V. Papaioannou et al., J. Chem. Phys. 140, 054107 (2014)]. Simulations were performed in the molecular dynamics canonical ensemble and the vapor-liquid surface tension is evaluated from the normal and tangential components of the pressure tensor along the simulation box. In addition to the surface tension, we have also obtained density profiles, coexistence densities, critical temperature, density, and pressure, and interfacial thickness as functions of temperature, paying special attention to the comparison between the estimations obtained from different models and literature experimental data. The simulation results obtained from the three CG models as described by the SAFT-γ Mie approach are able to predict accurately the vapor-liquid phase envelope of THF, in excellent agreement with estimations obtained from TraPPE model and experimental data in the whole range of coexistence. However, Chandrasekhar and Jorgensen model presents significant deviations from experimental results. We also compare the predictions for surface tension as obtained from simulation results for all the models with experimental data. The three CG models predict reasonably well (but only qualitatively) the surface tension of THF, as a function of temperature, from the triple point to the critical temperature. On the other hand, only the TraPPE united-atoms models are able to predict accurately the experimental surface tension of the system in the whole temperature range.« less

Quantum critical dynamics for a prototype class of insulating antiferromagnets

NASA Astrophysics Data System (ADS)

Wu, Jianda; Yang, Wang; Wu, Congjun; Si, Qimiao

2018-06-01

Quantum criticality is a fundamental organizing principle for studying strongly correlated systems. Nevertheless, understanding quantum critical dynamics at nonzero temperatures is a major challenge of condensed-matter physics due to the intricate interplay between quantum and thermal fluctuations. The recent experiments with the quantum spin dimer material TlCuCl3 provide an unprecedented opportunity to test the theories of quantum criticality. We investigate the nonzero-temperature quantum critical spin dynamics by employing an effective O (N ) field theory. The on-shell mass and the damping rate of quantum critical spin excitations as functions of temperature are calculated based on the renormalized coupling strength and are in excellent agreement with experiment observations. Their T lnT dependence is predicted to be dominant at very low temperatures, which will be tested in future experiments. Our work provides confidence that quantum criticality as a theoretical framework, which is being considered in so many different contexts of condensed-matter physics and beyond, is indeed grounded in materials and experiments accurately. It is also expected to motivate further experimental investigations on the applicability of the field theory to related quantum critical systems.

The Evolving Role of Field and Laboratory Seismic Measurements in Geotechnical Engineering

NASA Astrophysics Data System (ADS)

Stokoe, K. H.

2017-12-01

The geotechnical engineering has been faced with the problem of characterizing geological materials for site-specific design in the built environment since the profession began. When one of the design requirements included determining the dynamic response of important and critical facilities to earthquake shaking or other types of dynamic loads, seismically-based measurements in the field and laboratory became important tools for direct characterization of the stiffnesses and energy dissipation (material damping) of these materials. In the 1960s, field seismic measurements using small-strain body waves were adapted from exploration geophysics. At the same time, laboratory measurements began using dynamic, torsional, resonant-column devices to measure shear stiffness and material damping in shear. The laboratory measurements also allowed parameters such as material type, confinement state, and nonlinear straining to be evaluated. Today, seismic measurements are widely used and evolving because: (1) the measurements have a strong theoretical basis, (2) they can be performed in the field and laboratory, thus forming an important link between these measurements, and (3) in recent developments in field testing involving surface waves, they are noninvasive which makes them cost effective in comparison to other methods. Active field seismic measurements are used today over depths ranging from about 5 to 1000 m. Examples of shear-wave velocity (VS) profiles evaluated using boreholes, penetrometers, suspension logging, and Rayleigh-type surface waves are presented. The VS measurements were performed in materials ranging from uncemented soil to unweathered rock. The coefficients of variation (COVs) in the VS profiles are generally less than 0.15 over sites with surface areas of 50 km2 or more as long as material types are not laterally mixed. Interestingly, the largest COVs often occur around layer boundaries which vary vertically. It is also interesting to observe how the stiffness of rock near the ground surface is generally overestimated. Finally, intact specimens of the geological materials recovered from many sites were tested dynamically in the laboratory. Values of VS measured in the field and laboratory are compared, and biases in VS at soil versus rock sites are shown to exhibit opposite trends.

Quantifying root water extraction after drought recovery using sub-mm in situ empirical data

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

Dhiman, Indu; Bilheux, Hassina Z.; DeCarlo, Keito F.

Root-specific responses to stress are not well-known, and have been largely based on indirect measurements of bulk soil water extraction, which limits mechanistic modeling of root function. Here, we used neutron radiography to examine in situ root-soil water dynamics of a previously droughted black cottonwood ( Populus trichocarpa) seedling, contrasting water uptake by younger, thinner or older, thicker parts of the fine root system. The smaller diameter roots had greater water uptake capacity per unit surface area than the larger diameter roots, but they had less total surface area leading to less total water extraction; rates ranged from 0.0027 –more » 0.0116 g cm -2 hr -1. The finest most-active roots were not visible in the radiographs, indicating the need to include destructive sampling. Analysis based on bulk soil hydraulic properties indicated substantial redistribution of water via saturated/unsaturated flow, capillary wicking, and root hydraulic redistribution across the layers - suggesting water uptake dynamics following an infiltration event may be more complex than approximated by common soil hydraulic or root surface area modeling approaches. Lastly, our results highlight the need for continued exploration of root-trait specific water uptake rates in situ, and impacts of roots on soil hydraulic properties – both critical components for mechanistic modeling of root function.« less

Quantifying root water extraction after drought recovery using sub-mm in situ empirical data

DOE PAGES

Dhiman, Indu; Bilheux, Hassina Z.; DeCarlo, Keito F.; ...

2017-09-09

Root-specific responses to stress are not well-known, and have been largely based on indirect measurements of bulk soil water extraction, which limits mechanistic modeling of root function. Here, we used neutron radiography to examine in situ root-soil water dynamics of a previously droughted black cottonwood ( Populus trichocarpa) seedling, contrasting water uptake by younger, thinner or older, thicker parts of the fine root system. The smaller diameter roots had greater water uptake capacity per unit surface area than the larger diameter roots, but they had less total surface area leading to less total water extraction; rates ranged from 0.0027 –more » 0.0116 g cm -2 hr -1. The finest most-active roots were not visible in the radiographs, indicating the need to include destructive sampling. Analysis based on bulk soil hydraulic properties indicated substantial redistribution of water via saturated/unsaturated flow, capillary wicking, and root hydraulic redistribution across the layers - suggesting water uptake dynamics following an infiltration event may be more complex than approximated by common soil hydraulic or root surface area modeling approaches. Lastly, our results highlight the need for continued exploration of root-trait specific water uptake rates in situ, and impacts of roots on soil hydraulic properties – both critical components for mechanistic modeling of root function.« less

Distinguishing magnetic blocking and surface spin-glass freezing in nickel ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Nadeem, K.; Krenn, H.; Traussing, T.; Letofsky-Papst, I.

2011-01-01

Nickel ferrite nanoparticles dispersed in SiO2 matrix have been synthesized by sol-gel method. Structural analysis has been performed by using x-ray diffraction and transmission electron microscopy. Magnetic properties have been investigated by using superconducting quantum interference device magnetometry. In addition to the average blocking temperature peak at TB=120 K measured by a zero field cooled temperature scan of the dc susceptibility, an additional hump near 15 K is observed. Temperature dependent out-of-phase ac susceptibility shows the same features: one broad peak at high temperature and a second narrow peak at low temperature. The high temperature peak corresponds to magnetic blocking of individual nanoparticles, while the low temperature peak is attributed to surface spin-glass freezing which becomes dominant for decreasing particle diameter. To prove the dynamics of the spin (dis)order in both regimes of freezing and blocking, the frequency dependent ac susceptibility is investigated under a biasing dc field. The frequency shift in the "frozen" low-temperature ac susceptibility peak is fitted to a dynamic scaling law with a critical exponent zv=7.5, which indicates a spin-glass phase. Exchange bias is turned on at low temperature which signifies the existence of a strong core-shell interaction. Aging and memory effects are further unique fingerprints of a spin-glass freezing on the surface of isolated magnetic nanoparticles.

Modeling and Remote Sensing of Surface Water Dynamics in the Mekong River Basin

NASA Astrophysics Data System (ADS)

Pokhrel, Y. N.

2017-12-01

The Mekong river is one of the most complex river systems in the world that is shared by six nations in Southeast Asia. The river still remains relatively undammed (most existing dams are in the tributaries and are small), and its hydrology today is dominated by large natural flow variations that support the highly productive agricultural and riverine ecological systems; however, this is changing due to the alterations in land use and construction of new dams both in the tributaries the mainstream (16 mainstream and 110 tributary dams are planned to be completed by 2030). Understanding the changes in surface water dynamics is therefore crucial to provide realistic future predictions of changes in downstream floodplain and riverine ecology due to the construction of dams in the upstream. In this study, we use an integrated hydrological model and remote sensing data to examine the critical role of surface water systems in modulating the river-floodplain ecology in the lower reach of the basin, with a focus on the Tonle Sap lake. We present results on the changes in the seasonality and long-term trend in river-floodplain inundation extent over the past few decades. These results provide new insights on the changing hydrology of the Mekong and important implications for potential future hydrologic changes under accelerating human activities and climate change.

Anisotropic surface chemistry properties and adsorption behavior of silicate mineral crystals.

PubMed

Xu, Longhua; Tian, Jia; Wu, Houqin; Fang, Shuai; Lu, Zhongyuan; Ma, Caifeng; Sun, Wei; Hu, Yuehua

2018-03-07

Anisotropic surface properties of minerals play an important role in a variety of fields. With a focus on the two most intensively investigated silicate minerals (i.e., phyllosilicate minerals and pegmatite aluminosilicate minerals), this review highlights the research on their anisotropic surface properties based on their crystal structures. Four surface features comprise the anisotropic surface chemistry of minerals: broken bonds, energy, wettability, and charge. Analysis of surface broken bond and energy anisotropy helps to explain the cleavage and growth properties of mineral crystals, and understanding surface wettability and charge anisotropy is critical to the analysis of minerals' solution behavior, such as their flotation performance and rheological properties. In a specific reaction, the anisotropic surface properties of minerals are reflected in the adsorption strengths of reagents on different mineral surfaces. Combined with the knowledge of mineral crushing and grinding, a thorough understanding of the anisotropic surface chemistry properties and the anisotropic adsorption behavior of minerals will lead to the development of effective relational models comprising their crystal structure, surface chemistry properties, and targeted reagent adsorption. Overall, such a comprehensive approach is expected to firmly establish the connection between selective cleavage of mineral crystals for desired surfaces and designing novel reagents selectively adsorbed on the mineral surfaces. As tools to characterize the anisotropic surface chemistry properties of minerals, DLVO theory, atomic force microscopy (AFM), and molecular dynamics (MD) simulations are also reviewed. Copyright © 2017 Elsevier B.V. All rights reserved.

Tuning the Reversibility of Mg Anodes via Controlled Surface Passivation by H 2O/Cl – in Organic Electrolytes

DOE PAGES

Connell, Justin G.; Genorio, Bostjan; Lopes, Pietro Papa; ...

2016-10-17

Developing a new generation of battery chemistries is a critical challenge to moving beyond current Li-ion technologies. In this work, we introduce a surface-science-based approach for understanding the complex phenomena controlling the reversibility of Mg anodes for Mg-ion batteries. In addition, we identify the profound impact of trace levels of H 2O (≤3 ppm) on the kinetics of Mg deposition and determine that passive films of MgO and Mg(OH) 2 are formed only after Mg deposition ceases, rather than continuously during Mg reduction. We also find that Cl – inhibits passivation through the formation of adsorbed Cl – (Mg–Cl(ad)) and/ormore » MgCl 2 on the surface, as well as through a dynamic competition with H 2O in the double layer. In conclusion, this surface-science-based approach goes well beyond Mg anodes, highlighting the need for more in-depth understanding of electrolyte chemistries before a new generation of efficient and reversible battery technologies can be realized.« less

Hydrodynamic size-dependent cellular uptake of aqueous QDs probed by fluorescence correlation spectroscopy.

PubMed

Dong, Chaoqing; Irudayaraj, Joseph

2012-10-11

Aqueous quantum dots (QDs) directly synthesized with various thiol ligands have been investigated as imaging probes in living cells. However, the effect of the surface chemistry of these ligands on QDs' cellular uptakes and their intracellular fate remains poorly understood. In this work, four CdTe QDs were directly synthesized under aqueous conditions using four different thiols as stabilizers and their interactions with cells were investigated. Fluorescence correlation spectroscopy (FCS), X-ray photoelectron spectroscopy (XPS), and zeta potential measurements on QDs primarily show that the surface structure of these QDs is highly dependent on the thiol ligands used in the preparation of QDs' precursors, including its layer thicknesses, densities, and surface charges. Subsequently, FCS integrated with the maximum-entropy-method-based FCS (MEMFCS) was used to investigate the concentration distribution and dynamics of these QDs in living A-427 cells. Our findings indicate that QDs' surface characteristics affect cell membrane adsorption and subsequent internalization. More critically, we show that the cellular uptake of aqueous QDs is dependent on their hydrodynamic diameter and might have the potential to escape trapped environments to accumulate in the cytoplasm.

Water Penetration through a Superhydrophobic Mesh During a Drop Impact.

PubMed

Ryu, Seunggeol; Sen, Prosenjit; Nam, Youngsuk; Lee, Choongyeop

2017-01-06

When a water drop impacts a mesh having submillimeter pores, a part of the drop penetrates through the mesh if the impact velocity is sufficiently large. Here we show that different surface wettability, i.e., hydrophobicity and superhydrophobicity, leads to different water penetration dynamics on a mesh during drop impact. We show, despite the water repellence of a superhydrophobic surface, that water can penetrate a superhydrophobic mesh more easily (i.e., at a lower impact velocity) over a hydrophobic mesh via a penetration mechanism unique to a superhydrophobic mesh. On a superhydrophobic mesh, the water penetration can occur during the drop recoil stage, which appears at a lower impact velocity than the critical impact velocity for water penetration right upon impact. We propose that this unique water penetration on a superhydrophobic mesh can be attributed to the combination of the hydrodynamic focusing and the momentum transfer from the water drop when it is about to bounce off the surface, at which point the water drop retrieves most of its kinetic energy due to the negligible friction on superhydrophobic surfaces.

Lectin-functionalized poly(glycidyl methacrylate)-block-poly(vinyldimethyl azlactone) surface supports for high avidity microbial capture

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

Hansen, Ryan R; Hinestrosa Salazar, Juan P; Shubert, Katherine R

2013-01-01

Microbial exopolysaccharides (EPS) play a critical and dynamic role in shaping the interactions between microbial community members and their local environment. The capture of targeted microbes using surface immobilized lectins that recognize specific extracellular oligosaccharide moieties offers a non-destructive method for functional characterization based on EPS content. In this report, we evaluate the use of the block co-polymer, poly(glycidyl methacrylate)-block-4,4-dimethyl-2-vinylazlactone (PGMA-b-PVDMA), as a surface support for lectin-specific microbial capture. Arrays of circular polymer supports ten micron in diameter were generated on silicon substrates to provide discrete, covalent coupling sites for Triticum vulgare and Lens culinaris lectins. These supports promoted microbemore » adhesion and colony formation in a lectin-specific manner. Silicon posts with similar topography containing only physisorbed lectins showed significantly less activity. These results demonstrate that micropatterned PGMA-b-PVDMA supports provide a unique platform for microbial capture and screening based on EPS content by combining high avidity lectin surfaces with three-dimensional topography.« less

Numerical investigation of sliding drops on an inclined surface

NASA Astrophysics Data System (ADS)

Legendre, Dominique; Pedrono, Annaig; Interface Group Team

2017-11-01

Despite it apparent simplicity, the behavior of a drop on an inclined solid surface is far to be properly reproduced by numerical simulation. It involves static, hysteresis and dynamic contact line behaviors. Depending on the fluid properties, the hysteresis and the wall inclination, different drop shapes (rounded, corner or pearling drop) can be observed. The 3D numerical simulations of sliding droplets presented in this work are based on a Volume of Fluid (VoF) solver without any interface reconstruction developed in the JADIM code. The surface tension is solved using the classical CSF (Continuum Surface Force) model and a sub grid model is used to describe under hysteresis conditions both the shape, the dissipation of the non resolved scales of a moving contact line. Numerical simulations are compared with the experiments of. The agreement with experiments is found to be very good for both he critical angle of inclination for siding as well as for the specific shapes: rounded, corner and pearling drops. The simulations have been used to extend the range of hysteresis covered by the experiments.

Structural and Interfacial Properties of Hyperbranched-Linear Polymer Surfactant.

PubMed

Qiang, Taotao; Bu, Qiaoqiao; Huang, Zhaofeng; Wang, Xuechuan

2014-01-01

With oleic acid grafting modification, a series of hyperbranched-linear polymer surfactants (HLPS) were prepared by hydroxyl-terminated hyperbranched polymer (HBP), which was gained through a step synthesis method using trimethylolpropane and AB 2 monomer. The AB 2 monomers were obtained through the Michael addition reaction of methyl acrylate and diethanol amine. The structures of HLPS were characterised by Fourier transform infrared spectrophotometer and nuclear magnetic resonance (NMR), which indicated that HBP was successfully modified by oleic acid. Furthermore, the properties of surface tension and critical micelle concentration of HLPS solution showed that HLPS can significantly reduce the surface tension of water. The morphology of the HLPS solution was characterised by dynamic light scattering, which revealed that HLPS exhibited a nonmonotonic appearance in particle size at different scattering angles owing to the different replaced linear portions. The relationships of the surface pressure to monolayer area and time were measured using the Langmuir-Blodgett instrument, which showed that the surface tension of monolayer molecules increased with the increasing of hydrophobic groups. In addition, the interface conditions of different replaced HLPS solutions were simulated.

Water Penetration through a Superhydrophobic Mesh During a Drop Impact

NASA Astrophysics Data System (ADS)

Ryu, Seunggeol; Sen, Prosenjit; Nam, Youngsuk; Lee, Choongyeop

2017-01-01

When a water drop impacts a mesh having submillimeter pores, a part of the drop penetrates through the mesh if the impact velocity is sufficiently large. Here we show that different surface wettability, i.e., hydrophobicity and superhydrophobicity, leads to different water penetration dynamics on a mesh during drop impact. We show, despite the water repellence of a superhydrophobic surface, that water can penetrate a superhydrophobic mesh more easily (i.e., at a lower impact velocity) over a hydrophobic mesh via a penetration mechanism unique to a superhydrophobic mesh. On a superhydrophobic mesh, the water penetration can occur during the drop recoil stage, which appears at a lower impact velocity than the critical impact velocity for water penetration right upon impact. We propose that this unique water penetration on a superhydrophobic mesh can be attributed to the combination of the hydrodynamic focusing and the momentum transfer from the water drop when it is about to bounce off the surface, at which point the water drop retrieves most of its kinetic energy due to the negligible friction on superhydrophobic surfaces.

Secondary instabilities modulate cortical complexity in the mammalian brain

NASA Astrophysics Data System (ADS)

Budday, Silvia; Steinmann, Paul; Kuhl, Ellen

2015-10-01

Disclosing the origin of convolutions in the mammalian brain remains a scientific challenge. Primary folds form before we are born: they are static, well defined and highly preserved across individuals. Secondary folds occur and disappear throughout our entire lifetime: they are dynamic, irregular and highly variable among individuals. While extensive research has improved our understanding of primary folding in the mammalian brain, secondary folding remains understudied and poorly understood. Here, we show that secondary instabilities can explain the increasing complexity of our brain surface as we age. Using the nonlinear field theories of mechanics supplemented by the theory of finite growth, we explore the critical conditions for secondary instabilities. We show that with continuing growth, our brain surface continues to bifurcate into increasingly complex morphologies. Our results suggest that even small geometric variations can have a significant impact on surface morphogenesis. Secondary bifurcations, and with them morphological changes during childhood and adolescence, are closely associated with the formation and loss of neuronal connections. Understanding the correlation between neuronal connectivity, cortical thickness, surface morphology and ultimately behaviour, could have important implications on the diagnostics, classification and treatment of neurological disorders.

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

Martinez, Andre P.; Carrillo, Jan-Michael Y.; Dobrynin, Andrey V.

The molecular weight and polydispersity of the chains in a polymer brush are critical parameters determining the brush properties. However, the characterization of polymer brushes is hindered by the vanishingly small mass of polymer present in brush layers. In this study, in order to obtain sufficient quantities of polymer for analysis, polymer brushes were grown from high surface area fibrous nylon membranes by ATRP. We synthesized the brushes with varying surface initiator densities, polymerization times, and amounts of sacrificial initiator, then cleaved from the substrate, and analyzed by GPC and NMR. Characterization showed that the surface-grown polymer chains were moremore » polydisperse and had lower average molecular weight compared to solution-grown polymers synthesized concurrently. Furthermore, the molecular weight distribution of the polymer brushes was observed to be bimodal, with a low molecular weight population of chains representing a significant mass fraction of the polymer chains at high surface initiator densities. Moreover, the origin of this low MW polymer fraction is proposed to be the termination of growing chains by recombination during the early stages of polymerization, a mechanism confirmed by molecular dynamics simulations of brush polymerization.« less

Using a spatially-distributed hydrologic biogeochemistry model to study the spatial variation of carbon processes in a Critical Zone Observatory

NASA Astrophysics Data System (ADS)

Shi, Y.; Eissenstat, D. M.; Davis, K. J.; He, Y.

2015-12-01

Forest carbon processes are affected by soil moisture, soil temperature and solar radiation. Most of the current biogeochemical models are 1-D and represent one point in space. Therefore they can neither resolve topographically driven hill-slope soil moisture patterns, nor simulate the nonlinear effects of soil moisture on carbon processes. A spatially-distributed biogeochemistry model, Flux-PIHM-BGC, has been developed by coupling the Biome-BGC (BBGC) model with a coupled physically-based land surface hydrologic model, Flux-PIHM. Flux-PIHM incorporates a land-surface scheme (adapted from the Noah land surface model) into the Penn State Integrated Hydrologic Model (PIHM). Because PIHM is capable of simulating lateral water flow and deep groundwater, Flux-PIHM is able to represent the link between groundwater and the surface energy balance, as well as the land surface heterogeneities caused by topography. Flux-PIHM-BGC model was tested at the Susquehanna/Shale Hills critical zone observatory (SSHCZO). The abundant observations at the SSHCZO, including eddy covariance fluxes, soil moisture, groundwater level, sap flux, stream discharge, litterfall, leaf area index, aboveground carbon stock, and soil carbon efflux, provided an ideal test bed for the coupled model. Model results show that when uniform solar radiation is used, vegetation carbon and soil carbon are positively correlated with soil moisture in space, which agrees with the observations within the watershed. When topographically-driven solar radiation is used, however, the wetter valley floor becomes radiation limited, and produces less vegetation and soil carbon than the drier hillslope due to the assumption that canopy height is uniform in the watershed. This contradicts with the observations, and suggests that a tree height model with dynamic allocation model are needed to reproduce the spatial variation of carbon processes within a watershed.

Drought, Land-Use Change, and Water Availability in California's Central Valley

NASA Astrophysics Data System (ADS)

Faunt, C. C.; Sneed, M.; Traum, J.

2015-12-01

The Central Valley is a broad alluvial-filled structural trough that covers about 52,000 square kilometers and is one of the most productive agricultural regions in the world. Because the valley is semi-arid and the availability of surface water varies substantially from year to year, season to season, and from north to south, agriculture developed a reliance on groundwater for irrigation. During recent drought periods (2007-09 and 2012-present), groundwater pumping has increased due to a combination of factors including drought and land-use changes. In response, groundwater levels have declined to levels approaching or below historical low levels. In the San Joaquin Valley, the southern two thirds of the Central Valley, the extensive groundwater pumpage has caused aquifer system compaction, resulting in land subsidence and permanent loss of groundwater storage capacity. The magnitude and rate of subsidence varies based on geologic materials, consolidation history, and historical water levels. Spatially-variable subsidence has changed the land-surface slope, causing operational, maintenance, and construction-design problems for surface-water infrastructure. It is important for water agencies to plan for the effects of continued water-level declines, storage losses, and/or land subsidence. To combat these effects, excess surface water, when available, is artificially recharged. As surface-water availability, land use, and artificial recharge continue to vary, long-term groundwater-level and land-subsidence monitoring and modelling are critical to understanding the dynamics of the aquifer system. Modeling tools, such as the Central Valley Hydrologic Model, can be used in the analysis and evaluation of management strategies to mitigate adverse impacts due to subsidence, while also optimizing water availability. These analyses will be critical for successful implementation of recent legislation aimed toward sustainable groundwater use.

Noise switching at a dynamical critical point in a cavity-conductor hybrid

NASA Astrophysics Data System (ADS)

Armour, Andrew D.; Kubala, Björn; Ankerhold, Joachim

2017-12-01

Coupling a mesoscopic conductor to a microwave cavity can lead to fascinating feedback effects which generate strong correlations between the dynamics of photons and charges. We explore the connection between cavity dynamics and charge transport in a model system consisting of a voltage-biased Josephson junction embedded in a high-Q cavity, focusing on the behavior as the system is tuned through a dynamical critical point. On one side of the critical point the noise is strongly suppressed, signaling the existence of a regime of highly coherent transport, but on the other side it switches abruptly to a much larger value. Using a semiclassical approach we show that this behavior arises because of the strongly nonlinear cavity drive generated by the Cooper pairs. We also uncover an equivalence between charge and photonic current noise in the system which opens up a route to detecting the critical behavior through straightforward microwave measurements.

The interactions of peripheral membrane proteins with biological membranes

DOE PAGES

Johs, Alexander; Whited, A. M.

2015-07-29

The interactions of peripheral proteins with membrane surfaces are critical to many biological processes, including signaling, recognition, membrane trafficking, cell division and cell structure. On a molecular level, peripheral membrane proteins can modulate lipid composition, membrane dynamics and protein-protein interactions. Biochemical and biophysical studies have shown that these interactions are in fact highly complex, dominated by several different types of interactions, and have an interdependent effect on both the protein and membrane. Here we examine three major mechanisms underlying the interactions between peripheral membrane proteins and membranes: electrostatic interactions, hydrophobic interactions, and fatty acid modification of proteins. While experimental approachesmore » continue to provide critical insights into specific interaction mechanisms, emerging bioinformatics resources and tools contribute to a systems-level picture of protein-lipid interactions. Through these recent advances, we begin to understand the pivotal role of protein-lipid interactions underlying complex biological functions at membrane interfaces.« less

Comparison of 3D ion velocity distribution measurements and models in the vicinity of an absorbing boundary oriented obliquely to a magnetic field

NASA Astrophysics Data System (ADS)

Henriquez, Miguel F.; Thompson, Derek S.; Kenily, Shane; Khaziev, Rinat; Good, Timothy N.; McIlvain, Julianne; Siddiqui, M. Umair; Curreli, Davide; Scime, Earl E.

2016-10-01

Understanding particle distributions in plasma boundary regions is critical to predicting plasma-surface interactions. Ions in the presheath exhibit complex behavior because of collisions and due to the presence of boundary-localized electric fields. Complete understanding of particle dynamics is necessary for understanding the critical problems of tokamak wall loading and Hall thruster channel wall erosion. We report measurements of 3D argon ion velocity distribution functions (IVDFs) in the vicinity of an absorbing boundary oriented obliquely to a background magnetic field. Measurements were obtained via argon ion laser induced fluorescence throughout a spatial volume upstream of the boundary. These distribution functions reveal kinetic details that provide a point-to-point check on particle-in-cell and 1D3V Boltzmann simulations. We present the results of this comparison and discuss some implications for plasma boundary interaction physics.

Stability of a dragged viscous thread: Onset of ``stitching'' in a fluid-mechanical ``sewing machine''

NASA Astrophysics Data System (ADS)

Ribe, Neil M.; Lister, John R.; Chiu-Webster, Sunny

2006-12-01

A thin thread of viscous fluid that falls on a moving belt acts like a fluid-mechanical "sewing machine," exhibiting a rich variety of "stitch" patterns including meanders, translated coiling, slanted loops, braiding, figures-of-eight, W-patterns, side kicks, and period-doubled patterns. Using a numerical linear stability analysis, we determine the critical belt speed and oscillation frequency of the first bifurcation, at which a steady dragged viscous thread becomes unstable to transverse oscillations or "meandering." The predictions of the stability analysis agree closely with the experimental measurements of Chiu-Webster and Lister [J. Fluid Mech. 569, 89 (2006)]. Moreover, the critical belt speed and onset frequency for meandering are nearly identical to the contact-point migration speed and angular frequency, respectively, of steady coiling of a viscous thread on a stationary surface, implying a remarkable degree of dynamical similarity between the two phenomena.

Onset of `stitching' in the fluid mechanical `sewing machine'

NASA Astrophysics Data System (ADS)

Ribe, Neil; Lister, John; Chiu-Webster, Sunny

2006-11-01

A thin thread of viscous fluid that falls on a moving belt acts like a fluid mechanical `sewing machine', exhibiting a rich variety of `stitch' patterns including meanders, side kicks, slanted loops, braiding, figures-of-eight, W-patterns, and period-doubled patterns (Chiu-Webster and Lister, J. Fluid Mech., in press). Using a numerical linear stability analysis based on asymptotic `slender thread' theory, we determine the critical belt speed and frequency of the first bifurcation, at which a steady dragged viscous thread becomes unstable to sideways oscillations (`meanders'). The predictions of the stability analysis agree closely with experimental measurements. Moreover, we find that the critical belt speed and frequency for meandering are nearly identical to the contact point migration speed and the frequency, respectively, of steady coiling of a viscous thread on a stationary surface, implying a remarkable degree of dynamical similarity between the two phenomena.

Gaining Confidence in Navigating Rosetta at Mars Swing-By

NASA Technical Reports Server (NTRS)

Crammn, Ruediger; Budnik, Frank

2007-01-01

The Mars swing-by in the early morning of the 25th of February 2007 was one of the most critical events the Rosetta mission has experienced so far on its way to the comet Churyumov-Gerasimenko. The closest approach took place at a distance of only 250 km from the planet s surface. Missing the optimal target would have translated into considerable fuel cost. In order to achieve confidence in operating through this highly critical mission phase, a navigation analysis exercise was carried out beforehand. This paper describes the purpose and the chosen approach for this preparatory Flight Dynamics activity. It presents and discusses results of the analysis. Emphasis is put on the question of what is needed to simulate a valuable data set representative for operations. The results of the navigation analysis are compared with real data obtained during swing-by operations.

Neurobeachin and the Kinesin KIF21B Are Critical for Endocytic Recycling of NMDA Receptors and Regulate Social Behavior.

PubMed

Gromova, Kira V; Muhia, Mary; Rothammer, Nicola; Gee, Christine E; Thies, Edda; Schaefer, Irina; Kress, Sabrina; Kilimann, Manfred W; Shevchuk, Olga; Oertner, Thomas G; Kneussel, Matthias

2018-05-29

Autism spectrum disorders (ASDs) are associated with mutations affecting synaptic components, including GluN2B-NMDA receptors (NMDARs) and neurobeachin (NBEA). NBEA participates in biosynthetic pathways to regulate synapse receptor targeting, synaptic function, cognition, and social behavior. However, the role of NBEA-mediated transport in specific trafficking routes is unclear. Here, we highlight an additional function for NBEA in the local delivery and surface re-insertion of synaptic receptors in mouse neurons. NBEA dynamically interacts with Rab4-positive recycling endosomes, transiently enters spines in an activity-dependent manner, and regulates GluN2B-NMDAR recycling. Furthermore, we show that the microtubule growth inhibitor kinesin KIF21B constrains NBEA dynamics and is present in the NBEA-recycling endosome-NMDAR complex. Notably, Kif21b knockout decreases NMDAR surface expression and alters social behavior in mice, consistent with reported social deficits in Nbea mutants. The influence of NBEA-KIF21B interactions on GluN2B-NMDAR local recycling may be relevant to mechanisms underlying ASD etiology. Copyright © 2018 The Authors. Published by Elsevier Inc. All rights reserved.

A three-dimensional model for lubricant depletion under sliding condition on bit patterned media of hard disk drives

NASA Astrophysics Data System (ADS)

Wu, Lin

2018-05-01

In this paper, we model the depletion dynamics of the molecularly thin layer of lubricants on a bit patterned media disk of hard disk drives under a sliding air bearing head. The dominant physics and consequently, the lubricant depletion dynamics on a patterned disk are shown to be significantly different from the well-studied cases of a smooth disk. Our results indicate that the surface tension effect, which is negligible on a flat disk, apparently suppresses depletion by enforcing a bottleneck effect around the disk pattern peak regions to thwart the migration of lubricants. When the disjoining pressure is relatively small, it assists the depletion. But, when the disjoining pressure becomes dominant, the disjoining pressure resists depletion. Disk pattern orientation plays a critical role in the depletion process. The effect of disk pattern orientation on depletion originates from its complex interaction with other intermingled factors of external air shearing stress distribution and lubricant particle trajectory. Patterning a disk surface with nanostructures of high density, large height/pitch ratio, and particular orientation is demonstrated to be one efficient way to alleviate the formation of lubricant depletion tracks.

Relationship between peatland hydrology and biogeochemistry

NASA Astrophysics Data System (ADS)

Roulet, N. T.

2012-04-01

The 'boreal forest' landscape is composed of upland forests, peatlands, some of which are treed, lakes, streams, and in North America, beaver ponds. Each of these landscapes present quite different biogeochemical environments due to differences in both abiotic and biotic processes and conditions. A significant amount of the carbon (C) in the boreal landscape is stored in peatlands, in part, due to the effect of the water storage on C cycling. The near saturated conditions affect the plants that can grow in peatlands and over the shorter term moisture variability controls the rate of C input to the peat. In the peat water limits the supply of electron donors and this has a profound effect on the C biogeochemistry. Near peat surface the moisture storage can be quite dynamic and mostly oxic conditions prevail, but redox conditions change significantly within a few tenth of a meter below the surface where water residence times increase orders of magnitude. This limits the supply of electron donors and other substrates that control the rate of C mineralization. Understanding the links among the moisture dynamics, the chemical thermodynamics of temporally variable saturated environments, and the quality of C is critical to determining the sensitivity of the C stored in peatlands to environmental change.

Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics

NASA Astrophysics Data System (ADS)

Mansbach, Rachael A.; Ferguson, Andrew L.

2015-03-01

The conformational states explored by polymers and proteins can be controlled by environmental conditions (e.g., temperature, pressure, and solvent) and molecular chemistry (e.g., molecular weight and side chain identity). We introduce an approach employing the diffusion map nonlinear machine learning technique to recover single molecule free energy landscapes from molecular simulations, quantify changes to the landscape as a function of external conditions and molecular chemistry, and relate these changes to modifications of molecular structure and dynamics. In an application to an n-eicosane chain, we quantify the thermally accessible chain configurations as a function of temperature and solvent conditions. In an application to a family of polyglutamate-derivative homopeptides, we quantify helical stability as a function of side chain length, resolve the critical side chain length for the helix-coil transition, and expose the molecular mechanisms underpinning side chain-mediated helix stability. By quantifying single molecule responses through perturbations to the underlying free energy surface, our approach provides a quantitative bridge between experimentally controllable variables and microscopic molecular behavior, guiding and informing rational engineering of desirable molecular structure and function.

Partial coalescence of drops at liquid interfaces

NASA Astrophysics Data System (ADS)

Blanchette, François; Bigioni, Terry P.

2006-04-01

When two separate masses of the same fluid are brought gently into contact, they are expected to fully merge into a single larger mass to minimize surface energy. However, when a stationary drop coalesces with an underlying reservoir of identical fluid, merging does not always proceed to completion. Occasionally, a drop in the process of merging apparently defies surface tension by `pinching off' before total coalescence occurs, leaving behind a smaller daughter droplet. Moreover, this process can repeat itself for subsequent generations of daughter droplets, resulting in a cascade of self-similar events. Such partial coalescence behaviour has implications for the dynamics of a variety of systems, including the droplets in clouds, ocean mist and airborne salt particles, emulsions, and the generation of vortices near an interface. Although it was first observed almost half a century ago, little is known about its precise mechanism. Here, we combine high-speed video imaging with numerical simulations to determine the conditions under which partial coalescence occurs, and to reveal a dynamic pinch-off mechanism. This mechanism is critically dependent on the ability of capillary waves to vertically stretch the drop by focusing energy on its summit.

Calving relation for tidewater glaciers based on detailed stress field analysis

NASA Astrophysics Data System (ADS)

Mercenier, Rémy; Lüthi, Martin P.; Vieli, Andreas

2018-02-01

Ocean-terminating glaciers in Arctic regions have undergone rapid dynamic changes in recent years, which have been related to a dramatic increase in calving rates. Iceberg calving is a dynamical process strongly influenced by the geometry at the terminus of tidewater glaciers. We investigate the effect of varying water level, calving front slope and basal sliding on the state of stress and flow regime for an idealized grounded ocean-terminating glacier and scale these results with ice thickness and velocity. Results show that water depth and calving front slope strongly affect the stress state while the effect from spatially uniform variations in basal sliding is much smaller. An increased relative water level or a reclining calving front slope strongly decrease the stresses and velocities in the vicinity of the terminus and hence have a stabilizing effect on the calving front. We find that surface stress magnitude and distribution for simple geometries are determined solely by the water depth relative to ice thickness. Based on this scaled relationship for the stress peak at the surface, and assuming a critical stress for damage initiation, we propose a simple and new parametrization for calving rates for grounded tidewater glaciers that is calibrated with observations.

Machine learning of single molecule free energy surfaces and the impact of chemistry and environment upon structure and dynamics.

PubMed

Mansbach, Rachael A; Ferguson, Andrew L

2015-03-14

The conformational states explored by polymers and proteins can be controlled by environmental conditions (e.g., temperature, pressure, and solvent) and molecular chemistry (e.g., molecular weight and side chain identity). We introduce an approach employing the diffusion map nonlinear machine learning technique to recover single molecule free energy landscapes from molecular simulations, quantify changes to the landscape as a function of external conditions and molecular chemistry, and relate these changes to modifications of molecular structure and dynamics. In an application to an n-eicosane chain, we quantify the thermally accessible chain configurations as a function of temperature and solvent conditions. In an application to a family of polyglutamate-derivative homopeptides, we quantify helical stability as a function of side chain length, resolve the critical side chain length for the helix-coil transition, and expose the molecular mechanisms underpinning side chain-mediated helix stability. By quantifying single molecule responses through perturbations to the underlying free energy surface, our approach provides a quantitative bridge between experimentally controllable variables and microscopic molecular behavior, guiding and informing rational engineering of desirable molecular structure and function.

Modeling Interfacial Glass-Water Reactions: Recent Advances and Current Limitations

DOE PAGES

Pierce, Eric M.; Frugier, Pierre; Criscenti, Louise J.; ...

2014-07-12

Describing the reactions that occur at the glass-water interface and control the development of the altered layer constitutes one of the main scientific challenges impeding existing models from providing accurate radionuclide release estimates. Radionuclide release estimates are a critical component of the safety basis for geologic repositories. The altered layer (i.e., amorphous hydrated surface layer and crystalline reaction products) represents a complex region, both physically and chemically, sandwiched between two distinct boundaries pristine glass surface at the inner most interface and aqueous solution at the outer most interface. Computational models, spanning different length and time-scales, are currently being developed tomore » improve our understanding of this complex and dynamic process with the goal of accurately describing the pore-scale changes that occur as the system evolves. These modeling approaches include geochemical simulations [i.e., classical reaction path simulations and glass reactivity in allowance for alteration layer (GRAAL) simulations], Monte Carlo simulations, and Molecular Dynamics methods. Finally, in this manuscript, we discuss the advances and limitations of each modeling approach placed in the context of the glass-water reaction and how collectively these approaches provide insights into the mechanisms that control the formation and evolution of altered layers.« less

Chemical Vapor Deposition at High Pressure in a Microgravity Environment

NASA Technical Reports Server (NTRS)

McCall, Sonya; Bachmann, Klaus; LeSure, Stacie; Sukidi, Nkadi; Wang, Fuchao

1999-01-01

In this paper we present an evaluation of critical requirements of organometallic chemical vapor deposition (OMCVD) at elevated pressure for a channel flow reactor in a microgravity environment. The objective of using high pressure is to maintain single-phase surface composition for materials that have high thermal decomposition pressure at their optimum growth temperature. Access to microgravity is needed to maintain conditions of laminar flow, which is essential for process analysis. Based on ground based observations we present an optimized reactor design for OMCVD at high pressure and reduced gravity. Also, we discuss non-intrusive real-time optical monitoring of flow dynamics coupled to homogeneous gas phase reactions, transport and surface processes. While suborbital flights may suffice for studies of initial stages of heteroepitaxy experiments in space are essential for a complete evaluation of steady-state growth.

Analysis of the Touch-And-Go Surface Sampling Concept for Comet Sample Return Missions

NASA Technical Reports Server (NTRS)

Mandic, Milan; Acikmese, Behcet; Bayard, David S.; Blackmore, Lars

2012-01-01

This paper studies the Touch-and-Go (TAG) concept for enabling a spacecraft to take a sample from the surface of a small primitive body, such as an asteroid or comet. The idea behind the TAG concept is to let the spacecraft descend to the surface, make contact with the surface for several seconds, and then ascend to a safe location. Sampling would be accomplished by an end-effector that is active during the few seconds of surface contact. The TAG event is one of the most critical events in a primitive body sample-return mission. The purpose of this study is to evaluate the dynamic behavior of a representative spacecraft during the TAG event, i.e., immediately prior, during, and after surface contact of the sampler. The study evaluates the sample-collection performance of the proposed sampling end-effector, in this case a brushwheel sampler, while acquiring material from the surface during the contact. A main result of the study is a guidance and control (G&C) validation of the overall TAG concept, in addition to specific contributions to demonstrating the effectiveness of using nonlinear clutch mechanisms in the sampling arm joints, and increasing the length of the sampling arms to improve robustness.

Surface functionalization of nanobiomaterials for application in stem cell culture, tissue engineering, and regenerative medicine.

PubMed

Rana, Deepti; Ramasamy, Keerthana; Leena, Maria; Jiménez, Constanza; Campos, Javier; Ibarra, Paula; Haidar, Ziyad S; Ramalingam, Murugan

2016-05-01

Stem cell-based approaches offer great application potential in tissue engineering and regenerative medicine owing to their ability of sensing the microenvironment and respond accordingly (dynamic behavior). Recently, the combination of nanobiomaterials with stem cells has paved a great way for further exploration. Nanobiomaterials with engineered surfaces could mimic the native microenvironment to which the seeded stem cells could adhere and migrate. Surface functionalized nanobiomaterial-based scaffolds could then be used to regulate or control the cellular functions to culture stem cells and regenerate damaged tissues or organs. Therefore, controlling the interactions between nanobiomaterials and stem cells is a critical factor. However, surface functionalization or modification techniques has provided an alternative approach for tailoring the nanobiomaterials surface in accordance to the physiological surrounding of a living cells; thereby, enhancing the structural and functional properties of the engineered tissues and organs. Currently, there are a variety of methods and technologies available to modify the surface of biomaterials according to the specific cell or tissue properties to be regenerated. This review highlights the trends in surface modification techniques for nanobiomaterials and the biological relevance in stem cell-based tissue engineering and regenerative medicine. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:554-567, 2016. © 2016 American Institute of Chemical Engineers.

Gold cleaning methods for preparation of cell culture surfaces for self-assembled monolayers of zwitterionic oligopeptides.

PubMed

Enomoto, Junko; Kageyama, Tatsuto; Myasnikova, Dina; Onishi, Kisaki; Kobayashi, Yuka; Taruno, Yoko; Kanai, Takahiro; Fukuda, Junji

2018-05-01

Self-assembled monolayers (SAMs) have been used to elucidate interactions between cells and material surface chemistry. Gold surfaces modified with oligopeptide SAMs exhibit several unique characteristics, such as cell-repulsive surfaces, micropatterns of cell adhesion and non-adhesion regions for control over cell microenvironments, and dynamic release of cells upon external stimuli under culture conditions. However, basic procedures for the preparation of oligopeptide SAMs, including appropriate cleaning methods of the gold surface before modification, have not been fully established. Because gold surfaces are readily contaminated with organic compounds in the air, cleaning methods may be critical for SAM formation. In this study, we examined the effects of four gold cleaning methods: dilute aqua regia, an ozone water, atmospheric plasma, and UV irradiation. Among the methods, UV irradiation most significantly improved the formation of oligopeptide SAMs in terms of repulsion of cells on the surfaces. We fabricated an apparatus with a UV light source, a rotation table, and HEPA filter, to treat a number of gold substrates simultaneously. Furthermore, UV-cleaned gold substrates were capable of detaching cell sheets without serious cell injury. This may potentially provide a stable and robust approach to oligopeptide SAM-based experiments for biomedical studies. Copyright © 2017 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

Mean-field behavior as a result of noisy local dynamics in self-organized criticality: Neuroscience implications

NASA Astrophysics Data System (ADS)

Moosavi, S. Amin; Montakhab, Afshin

2014-05-01

Motivated by recent experiments in neuroscience which indicate that neuronal avalanches exhibit scale invariant behavior similar to self-organized critical systems, we study the role of noisy (nonconservative) local dynamics on the critical behavior of a sandpile model which can be taken to mimic the dynamics of neuronal avalanches. We find that despite the fact that noise breaks the strict local conservation required to attain criticality, our system exhibits true criticality for a wide range of noise in various dimensions, given that conservation is respected on the average. Although the system remains critical, exhibiting finite-size scaling, the value of critical exponents change depending on the intensity of local noise. Interestingly, for a sufficiently strong noise level, the critical exponents approach and saturate at their mean-field values, consistent with empirical measurements of neuronal avalanches. This is confirmed for both two and three dimensional models. However, the addition of noise does not affect the exponents at the upper critical dimension (D =4). In addition to an extensive finite-size scaling analysis of our systems, we also employ a useful time-series analysis method to establish true criticality of noisy systems. Finally, we discuss the implications of our work in neuroscience as well as some implications for the general phenomena of criticality in nonequilibrium systems.

Propose a Wall Shear Stress Divergence to Estimate the Risks of Intracranial Aneurysm Rupture

PubMed Central

Zhang, Y.; Takao, H.; Murayama, Y.; Qian, Y.

2013-01-01

Although wall shear stress (WSS) has long been considered a critical indicator of intracranial aneurysm rupture, there is still no definite conclusion as to whether a high or a low WSS results in aneurysm rupture. The reason may be that the effect of WSS direction has not been fully considered. The objectives of this study are to investigate the magnitude of WSS (|WSS|) and its divergence on the aneurysm surface and to test the significance of both in relation to the aneurysm rupture. Patient-specific computational fluid dynamics (CFD) was used to compute WSS and wall shear stress divergence (WSSD) on the aneurysm surface for nineteen patients. Our results revealed that if high |WSS| is stretching aneurysm luminal surface, and the stretching region is concentrated, the aneurysm is under a high risk of rupture. It seems that, by considering both direction and magnitude of WSS, WSSD may be a better indicator for the risk estimation of aneurysm rupture (154). PMID:24191140

PEGylated graphene oxide elicits strong immunological responses despite surface passivation

NASA Astrophysics Data System (ADS)

Luo, Nana; Weber, Jeffrey K.; Wang, Shuang; Luan, Binquan; Yue, Hua; Xi, Xiaobo; Du, Jing; Yang, Zaixing; Wei, Wei; Zhou, Ruhong; Ma, Guanghui

2017-02-01

Engineered nanomaterials promise to transform medicine at the bio-nano interface. However, it is important to elucidate how synthetic nanomaterials interact with critical biological systems before such products can be safely utilized in humans. Past evidence suggests that polyethylene glycol-functionalized (PEGylated) nanomaterials are largely biocompatible and elicit less dramatic immune responses than their pristine counterparts. We here report results that contradict these findings. We find that PEGylated graphene oxide nanosheets (nGO-PEGs) stimulate potent cytokine responses in peritoneal macrophages, despite not being internalized. Atomistic molecular dynamics simulations support a mechanism by which nGO-PEGs preferentially adsorb onto and/or partially insert into cell membranes, thereby amplifying interactions with stimulatory surface receptors. Further experiments demonstrate that nGO-PEG indeed provokes cytokine secretion by enhancing integrin β8-related signalling pathways. The present results inform that surface passivation does not always prevent immunological reactions to 2D nanomaterials but also suggest applications for PEGylated nanomaterials wherein immune stimulation is desired.

Multiscale deformation of a liquid surface in interaction with a nanoprobe

NASA Astrophysics Data System (ADS)

Ledesma-Alonso, R.; Tordjeman, P.; Legendre, D.

2012-06-01

The interaction between a nanoprobe and a liquid surface is studied. The surface deformation depends on physical and geometric parameters, which are depicted by employing three dimensionless parameters: Bond number Bo, modified Hamaker number Ha, and dimensionless separation distance D*. The evolution of the deformation is described by a strongly nonlinear partial differential equation, which is solved by means of numerical methods. The dynamic analysis of the liquid profile points out the existence of a critical distance Dmin*, below which the irreversible wetting process of the nanoprobe happens. For D*≥Dmin*, the numerical results show the existence of two deformation profiles, one stable and another unstable from the energetic point of view. Different deformation length-scales, characterizing the stable liquid equilibrium interface, define the near- and the far-field deformation zones, where self-similar profiles are found. Finally, our results allow us to provide simple relationships between the parameters, which leads to determine the optimal conditions when performing atomic force microscope measurements over liquids.

Criticality in conserved dynamical systems: experimental observation vs. exact properties.

PubMed

Marković, Dimitrije; Gros, Claudius; Schuelein, André

2013-03-01

Conserved dynamical systems are generally considered to be critical. We study a class of critical routing models, equivalent to random maps, which can be solved rigorously in the thermodynamic limit. The information flow is conserved for these routing models and governed by cyclic attractors. We consider two classes of information flow, Markovian routing without memory and vertex routing involving a one-step routing memory. Investigating the respective cycle length distributions for complete graphs, we find log corrections to power-law scaling for the mean cycle length, as a function of the number of vertices, and a sub-polynomial growth for the overall number of cycles. When observing experimentally a real-world dynamical system one normally samples stochastically its phase space. The number and the length of the attractors are then weighted by the size of their respective basins of attraction. This situation is equivalent, for theory studies, to "on the fly" generation of the dynamical transition probabilities. For the case of vertex routing models, we find in this case power law scaling for the weighted average length of attractors, for both conserved routing models. These results show that the critical dynamical systems are generically not scale-invariant but may show power-law scaling when sampled stochastically. It is hence important to distinguish between intrinsic properties of a critical dynamical system and its behavior that one would observe when randomly probing its phase space.

Low-Frequency Surface Backscattering Strengths Measured in the Critical Sea Test Experiments

DTIC Science & Technology

2017-01-19

Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/7160--17-9702 Low-Frequency Surface Backscattering Strengths Measured in the Critical Sea ...LIMITATION OF ABSTRACT Low-Frequency Surface Backscattering Strengths Measured in the Critical Sea Test Experiments Roger C. Gauss1 and Joseph M...significantly- updated results from 55 broadband SUS SSS measurements in 6 Critical Sea Test (CST) experiments. Since the time of the previously

CSDMS2.0: Computational Infrastructure for Community Surface Dynamics Modeling

NASA Astrophysics Data System (ADS)

Syvitski, J. P.; Hutton, E.; Peckham, S. D.; Overeem, I.; Kettner, A.

2012-12-01

The Community Surface Dynamic Modeling System (CSDMS) is an NSF-supported, international and community-driven program that seeks to transform the science and practice of earth-surface dynamics modeling. CSDMS integrates a diverse community of more than 850 geoscientists representing 360 international institutions (academic, government, industry) from 60 countries and is supported by a CSDMS Interagency Committee (22 Federal agencies), and a CSDMS Industrial Consortia (18 companies). CSDMS presently distributes more 200 Open Source models and modeling tools, access to high performance computing clusters in support of developing and running models, and a suite of products for education and knowledge transfer. CSDMS software architecture employs frameworks and services that convert stand-alone models into flexible "plug-and-play" components to be assembled into larger applications. CSDMS2.0 will support model applications within a web browser, on a wider variety of computational platforms, and on other high performance computing clusters to ensure robustness and sustainability of the framework. Conversion of stand-alone models into "plug-and-play" components will employ automated wrapping tools. Methods for quantifying model uncertainty are being adapted as part of the modeling framework. Benchmarking data is being incorporated into the CSDMS modeling framework to support model inter-comparison. Finally, a robust mechanism for ingesting and utilizing semantic mediation databases is being developed within the Modeling Framework. Six new community initiatives are being pursued: 1) an earth - ecosystem modeling initiative to capture ecosystem dynamics and ensuing interactions with landscapes, 2) a geodynamics initiative to investigate the interplay among climate, geomorphology, and tectonic processes, 3) an Anthropocene modeling initiative, to incorporate mechanistic models of human influences, 4) a coastal vulnerability modeling initiative, with emphasis on deltas and their multiple threats and stressors, 5) a continental margin modeling initiative, to capture extreme oceanic and atmospheric events generating turbidity currents in the Gulf of Mexico, and 6) a CZO Focus Research Group, to develop compatibility between CSDMS architecture and protocols and Critical Zone Observatory-developed models and data.

Water availability and land subsidence in the Central Valley, California, USA

NASA Astrophysics Data System (ADS)

Faunt, Claudia C.; Sneed, Michelle; Traum, Jon; Brandt, Justin T.

2016-05-01

The Central Valley in California (USA) covers about 52,000 km2 and is one of the most productive agricultural regions in the world. This agriculture relies heavily on surface-water diversions and groundwater pumpage to meet irrigation water demand. Because the valley is semi-arid and surface-water availability varies substantially, agriculture relies heavily on local groundwater. In the southern two thirds of the valley, the San Joaquin Valley, historic and recent groundwater pumpage has caused significant and extensive drawdowns, aquifer-system compaction and subsidence. During recent drought periods (2007-2009 and 2012-present), groundwater pumping has increased owing to a combination of decreased surface-water availability and land-use changes. Declining groundwater levels, approaching or surpassing historical low levels, have caused accelerated and renewed compaction and subsidence that likely is mostly permanent. The subsidence has caused operational, maintenance, and construction-design problems for water-delivery and flood-control canals in the San Joaquin Valley. Planning for the effects of continued subsidence in the area is important for water agencies. As land use, managed aquifer recharge, and surface-water availability continue to vary, long-term groundwater-level and subsidence monitoring and modelling are critical to understanding the dynamics of historical and continued groundwater use resulting in additional water-level and groundwater storage declines, and associated subsidence. Modeling tools such as the Central Valley Hydrologic Model, can be used in the evaluation of management strategies to mitigate adverse impacts due to subsidence while also optimizing water availability. This knowledge will be critical for successful implementation of recent legislation aimed toward sustainable groundwater use.

Water availability and land subsidence in the Central Valley, California, USA

USGS Publications Warehouse

Faunt, Claudia; Sneed, Michelle; Traum, Jonathan A.; Brandt, Justin

2016-01-01

The Central Valley in California (USA) covers about 52,000 km2 and is one of the most productive agricultural regions in the world. This agriculture relies heavily on surface-water diversions and groundwater pumpage to meet irrigation water demand. Because the valley is semi-arid and surface-water availability varies substantially, agriculture relies heavily on local groundwater. In the southern two thirds of the valley, the San Joaquin Valley, historic and recent groundwater pumpage has caused significant and extensive drawdowns, aquifer-system compaction and subsidence. During recent drought periods (2007–2009 and 2012-present), groundwater pumping has increased owing to a combination of decreased surface-water availability and land-use changes. Declining groundwater levels, approaching or surpassing historical low levels, have caused accelerated and renewed compaction and subsidence that likely is mostly permanent. The subsidence has caused operational, maintenance, and construction-design problems for water-delivery and flood-control canals in the San Joaquin Valley. Planning for the effects of continued subsidence in the area is important for water agencies. As land use, managed aquifer recharge, and surface-water availability continue to vary, long-term groundwater-level and subsidence monitoring and modelling are critical to understanding the dynamics of historical and continued groundwater use resulting in additional water-level and groundwater storage declines, and associated subsidence. Modeling tools such as the Central Valley Hydrologic Model, can be used in the evaluation of management strategies to mitigate adverse impacts due to subsidence while also optimizing water availability. This knowledge will be critical for successful implementation of recent legislation aimed toward sustainable groundwater use.

The impact of CO2 fertilization and historical land use/land cover change on regional climate extremes

NASA Astrophysics Data System (ADS)

Findell, Kirsten; Berg, Alexis; Gentine, Pierre; Krasting, John; Lintner, Benjamin; Malyshev, Sergey; Santanello, Joseph; Shevliakova, Elena

2017-04-01

Recent research highlights the role of land surface processes in heat waves, droughts, and other extreme events. Here we use an earth system model (ESM) from the Geophysical Fluid Dynamics Laboratory (GFDL) to investigate the regional impacts of historical anthropogenic land use/land cover change (LULCC) and the vegetative response to changes in atmospheric CO2 on combined extremes of temperature and humidity. A bivariate assessment allows us to consider aridity and moist enthalpy extremes, quantities central to human experience of near-surface climate conditions. We show that according to this model, conversion of forests to cropland has contributed to much of the upper central US and central Europe experiencing extreme hot, dry summers every 2-3 years instead of every 10 years. In the tropics, historical patterns of wood harvesting, shifting cultivation and regrowth of secondary vegetation have enhanced near surface moist enthalpy, leading to extensive increases in the occurrence of humid conditions throughout the tropics year round. These critical land use processes and practices are not included in many current generation land models, yet these results identify them as critical factors in the energy and water cycles of the midlatitudes and tropics. Current work is targeted at understanding how CO2 fertilization of plant growth impacts water use efficiency and surface flux partitioning, and how these changes influence temperature and humidity extremes. We use this modeling work to explore how remote sensing can be used to determine how different forest ecosystems in different climatological regimes are responding to enhanced CO2 and a warming world.

Model-based screening for critical wet-weather discharges related to micropollutants from urban areas.

PubMed

Mutzner, Lena; Staufer, Philipp; Ort, Christoph

2016-11-01

Wet-weather discharges contribute to anthropogenic micropollutant loads entering the aquatic environment. Thousands of wet-weather discharges exist in Swiss sewer systems, and we do not have the capacity to monitor them all. We consequently propose a model-based approach designed to identify critical discharge points in order to support effective monitoring. We applied a dynamic substance flow model to four substances representing different entry routes: indoor (Triclosan, Mecoprop, Copper) as well as rainfall-mobilized (Glyphosate, Mecoprop, Copper) inputs. The accumulation on different urban land-use surfaces in dry weather and subsequent substance-specific wash-off is taken into account. For evaluation, we use a conservative screening approach to detect critical discharge points. This approach considers only local dilution generated onsite from natural, unpolluted areas, i.e. excluding upstream dilution. Despite our conservative assumptions, we find that the environmental quality standards for Glyphosate and Mecoprop are not exceeded during any 10-min time interval over a representative one-year simulation period for all 2500 Swiss municipalities. In contrast, the environmental quality standard is exceeded during at least 20% of the discharge time at 83% of all modelled discharge points for Copper and at 71% for Triclosan. For Copper, this corresponds to a total median duration of approximately 19 days per year. For Triclosan, discharged only via combined sewer overflows, this means a median duration of approximately 10 days per year. In general, stormwater outlets contribute more to the calculated effect than combined sewer overflows for rainfall-mobilized substances. We further evaluate the Urban Index (A urban,impervious /A natural ) as a proxy for critical discharge points: catchments where Triclosan and Copper exceed the corresponding environmental quality standard often have an Urban Index >0.03. A dynamic substance flow analysis allows us to identify the most critical discharge points to be prioritized for more detailed analyses and monitoring. This forms a basis for the efficient mitigation of pollution. Copyright © 2016 Elsevier Ltd. All rights reserved.

Hierarchical adaptive nanostructured PVD coatings for extreme tribological applications: the quest for nonequilibrium states and emergent behavior.

PubMed

Fox-Rabinovich, German S; Yamamoto, Kenji; Beake, Ben D; Gershman, Iosif S; Kovalev, Anatoly I; Veldhuis, Stephen C; Aguirre, Myriam H; Dosbaeva, Goulnara; Endrino, Jose L

2012-08-01

Adaptive wear-resistant coatings produced by physical vapor deposition (PVD) are a relatively new generation of coatings which are attracting attention in the development of nanostructured materials for extreme tribological applications. An excellent example of such extreme operating conditions is high performance machining of hard-to-cut materials. The adaptive characteristics of such coatings develop fully during interaction with the severe environment. Modern adaptive coatings could be regarded as hierarchical surface-engineered nanostructural materials. They exhibit dynamic hierarchy on two major structural scales: (a) nanoscale surface layers of protective tribofilms generated during friction and (b) an underlying nano/microscaled layer. The tribofilms are responsible for some critical nanoscale effects that strongly impact the wear resistance of adaptive coatings. A new direction in nanomaterial research is discussed: compositional and microstructural optimization of the dynamically regenerating nanoscaled tribofilms on the surface of the adaptive coatings during friction. In this review we demonstrate the correlation between the microstructure, physical, chemical and micromechanical properties of hard coatings in their dynamic interaction (adaptation) with environment and the involvement of complex natural processes associated with self-organization during friction. Major physical, chemical and mechanical characteristics of the adaptive coating, which play a significant role in its operating properties, such as enhanced mass transfer, and the ability of the layer to provide dissipation and accumulation of frictional energy during operation are presented as well. Strategies for adaptive nanostructural coating design that enhance beneficial natural processes are outlined. The coatings exhibit emergent behavior during operation when their improved features work as a whole. In this way, as higher-ordered systems, they achieve multifunctionality and high wear resistance under extreme tribological conditions.

Kinetics of SiHCl3 chemical vapor deposition and fluid dynamic simulations.

PubMed

Cavallotti, Carlo; Masi, Maurizio

2011-09-01

Though most of the current silicon photovoltaic technology relies on trichlorosilane (SiHCl3) as a precursor gas to deposit Si, only a few studies have been devoted to the investigation of its gas phase and surface kinetics. In the present work we propose a new kinetic mechanism apt to describe the gas phase and surface chemistry active during the deposition of Si from SiHCl3. Kinetic constants of key reactions were either taken from the literature or determined through ab initio calculations. The capability of the mechanism to reproduce experimental data was tested through the implementation of the kinetic scheme in a fluid dynamic model and in the simulation of both deposition and etching of Si in horizontal reactors. The results of the simulations show that the reactivity of HCl is of key importance in order to control the Si deposition rate. When HCl reaches a critical concentration in the gas phase it starts etching the Si surface, so that the net deposition rate is the net sum of the adsorption rate of the gas phase precursors and the etching rate due to HCl. In these conditions the possibility to further deposit Si is directly related to the rate of consumption of HCl through its reaction with SiHCl3 to give SiCl4. The proposed reaction mechanism was implemented in a 3D fluid dynamic model of a simple Siemens reactor. The simulation results indicate that the proposed interpretation of the growth process applies also to this class of reactors, which operate in what can be defined as a mixed kinetic-transport controlled regime.

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

NASA Astrophysics Data System (ADS)

Langenbach, K.; Heilig, M.; Horsch, M.; Hasse, H.

2018-03-01

A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO2). The molecular model of CO2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

Hierarchical adaptive nanostructured PVD coatings for extreme tribological applications: the quest for nonequilibrium states and emergent behavior

PubMed Central

Fox-Rabinovich, German S; Yamamoto, Kenji; Beake, Ben D; Gershman, Iosif S; Kovalev, Anatoly I; Veldhuis, Stephen C; Aguirre, Myriam H.; Dosbaeva, Goulnara; Endrino, Jose L

2012-01-01

Adaptive wear-resistant coatings produced by physical vapor deposition (PVD) are a relatively new generation of coatings which are attracting attention in the development of nanostructured materials for extreme tribological applications. An excellent example of such extreme operating conditions is high performance machining of hard-to-cut materials. The adaptive characteristics of such coatings develop fully during interaction with the severe environment. Modern adaptive coatings could be regarded as hierarchical surface-engineered nanostructural materials. They exhibit dynamic hierarchy on two major structural scales: (a) nanoscale surface layers of protective tribofilms generated during friction and (b) an underlying nano/microscaled layer. The tribofilms are responsible for some critical nanoscale effects that strongly impact the wear resistance of adaptive coatings. A new direction in nanomaterial research is discussed: compositional and microstructural optimization of the dynamically regenerating nanoscaled tribofilms on the surface of the adaptive coatings during friction. In this review we demonstrate the correlation between the microstructure, physical, chemical and micromechanical properties of hard coatings in their dynamic interaction (adaptation) with environment and the involvement of complex natural processes associated with self-organization during friction. Major physical, chemical and mechanical characteristics of the adaptive coating, which play a significant role in its operating properties, such as enhanced mass transfer, and the ability of the layer to provide dissipation and accumulation of frictional energy during operation are presented as well. Strategies for adaptive nanostructural coating design that enhance beneficial natural processes are outlined. The coatings exhibit emergent behavior during operation when their improved features work as a whole. In this way, as higher-ordered systems, they achieve multifunctionality and high wear resistance under extreme tribological conditions. PMID:27877499

Testing Lithospheric versus Deep-Mantle Dynamics on Post-100 Ma Evolution of Western U.S. using Landscape Evolution Modeling

NASA Astrophysics Data System (ADS)

Chang, C.; Liu, L.

2017-12-01

Driving mechanisms of the topographic evolution of central-western North America from the Cretaceous Western Interior Seaway (WIS) to its present-day high elevation remain ellusive. Quantifying the effects of lithospheric deformation versus deep-mantle induced topography on the landscape evolution of the region is a key to better constraining the history of North American tectonics and mantle dynamics. One way to tackle this problem is through running landscape evolution simulation coupled with uplift histories characteristic to these tectonic processes. We then use available surface observations, e.g., sedimentation records, land erosion, and drainage evolution, to infer the likely lithospheric and mantle processes that formed the WIS, the subsequent Laramide orogeny, and the present-day high topography of central-western North America. In practice, we use BadLands to simulate the evolution of surface process. To validate a given uplift history, we quantitatively compare model predictions with onshore and offshore stratigraphy data from the literature. Furthermore, critical forcings of landscape evolution, such as climate, lithology and sea level, will also be examined to better attest the effects of different uplift scenarios. Preliminary results demonstrate that only with geographically migratory subsidence, as predicted by an inverse mantle convection model, can we re-produce large scale tilted strata and shifting sediment deposition observed in the WIS basins. Ongoing work will also look into styles of Cenozoic uplift events that ended the WIS and produced the landscape features today. Eventually, we hope to place new constraints on the evolution and properties of lithospheric and deep-mantle dynamics of North American and to locate the best-fit scenario of its coresponding surface evolution since 100 Ma.

Performance impact of dynamic surface coatings on polymeric insulator-based dielectrophoretic particle separators.

PubMed

Davalos, Rafael V; McGraw, Gregory J; Wallow, Thomas I; Morales, Alfredo M; Krafcik, Karen L; Fintschenko, Yolanda; Cummings, Eric B; Simmons, Blake A

2008-02-01

Efficient and robust particle separation and enrichment techniques are critical for a diverse range of lab-on-a-chip analytical devices including pathogen detection, sample preparation, high-throughput particle sorting, and biomedical diagnostics. Previously, using insulator-based dielectrophoresis (iDEP) in microfluidic glass devices, we demonstrated simultaneous particle separation and concentration of various biological organisms, polymer microbeads, and viruses. As an alternative to glass, we evaluate the performance of similar iDEP structures produced in polymer-based microfluidic devices. There are numerous processing and operational advantages that motivate our transition to polymers such as the availability of numerous innate chemical compositions for tailoring performance, mechanical robustness, economy of scale, and ease of thermoforming and mass manufacturing. The polymer chips we have evaluated are fabricated through an injection molding process of the commercially available cyclic olefin copolymer Zeonor 1060R. This publication is the first to demonstrate insulator-based dielectrophoretic biological particle differentiation in a polymeric device injection molded from a silicon master. The results demonstrate that the polymer devices achieve the same performance metrics as glass devices. We also demonstrate an effective means of enhancing performance of these microsystems in terms of system power demand through the use of a dynamic surface coating. We demonstrate that the commercially available nonionic block copolymer surfactant, Pluronic F127, has a strong interaction with the cyclic olefin copolymer at very low concentrations, positively impacting performance by decreasing the electric field necessary to achieve particle trapping by an order of magnitude. The presence of this dynamic surface coating, therefore, lowers the power required to operate such devices and minimizes Joule heating. The results of this study demonstrate that iDEP polymeric microfluidic devices with surfactant coatings provide an affordable engineering strategy for selective particle enrichment and sorting.

Satellite Microwave Remote Sensing for Environmental Modeling of Mosquito Population Dynamics

PubMed Central

Chuang, Ting-Wu; Henebry, Geoffrey M.; Kimball, John S.; VanRoekel-Patton, Denise L.; Hildreth, Michael B.; Wimberly, Michael C.

2012-01-01

Environmental variability has important influences on mosquito life cycles and understanding the spatial and temporal patterns of mosquito populations is critical for mosquito control and vector-borne disease prevention. Meteorological data used for model-based predictions of mosquito abundance and life cycle dynamics are typically acquired from ground-based weather stations; however, data availability and completeness are often limited by sparse networks and resource availability. In contrast, environmental measurements from satellite remote sensing are more spatially continuous and can be retrieved automatically. This study compared environmental measurements from the NASA Advanced Microwave Scanning Radiometer on EOS (AMSR-E) and in situ weather station data to examine their ability to predict the abundance of two important mosquito species (Aedes vexans and Culex tarsalis) in Sioux Falls, South Dakota, USA from 2005 to 2010. The AMSR-E land parameters included daily surface water inundation fraction, surface air temperature, soil moisture, and microwave vegetation opacity. The AMSR-E derived models had better fits and higher forecasting accuracy than models based on weather station data despite the relatively coarse (25-km) spatial resolution of the satellite data. In the AMSR-E models, air temperature and surface water fraction were the best predictors of Aedes vexans, whereas air temperature and vegetation opacity were the best predictors of Cx. tarsalis abundance. The models were used to extrapolate spatial, seasonal, and interannual patterns of climatic suitability for mosquitoes across eastern South Dakota. Our findings demonstrate that environmental metrics derived from satellite passive microwave radiometry are suitable for predicting mosquito population dynamics and can potentially improve the effectiveness of mosquito-borne disease early warning systems. PMID:23049143

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory.

PubMed

Langenbach, K; Heilig, M; Horsch, M; Hasse, H

2018-03-28

A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO 2 ). The molecular model of CO 2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

Ab initio potential-energy surfaces for complex, multichannel systems using modified novelty sampling and feedforward neural networks

NASA Astrophysics Data System (ADS)

Raff, L. M.; Malshe, M.; Hagan, M.; Doughan, D. I.; Rockley, M. G.; Komanduri, R.

2005-02-01

A neural network/trajectory approach is presented for the development of accurate potential-energy hypersurfaces that can be utilized to conduct ab initio molecular dynamics (AIMD) and Monte Carlo studies of gas-phase chemical reactions, nanometric cutting, and nanotribology, and of a variety of mechanical properties of importance in potential microelectromechanical systems applications. The method is sufficiently robust that it can be applied to a wide range of polyatomic systems. The overall method integrates ab initio electronic structure calculations with importance sampling techniques that permit the critical regions of configuration space to be determined. The computed ab initio energies and gradients are then accurately interpolated using neural networks (NN) rather than arbitrary parametrized analytical functional forms, moving interpolation or least-squares methods. The sampling method involves a tight integration of molecular dynamics calculations with neural networks that employ early stopping and regularization procedures to improve network performance and test for convergence. The procedure can be initiated using an empirical potential surface or direct dynamics. The accuracy and interpolation power of the method has been tested for two cases, the global potential surface for vinyl bromide undergoing unimolecular decomposition via four different reaction channels and nanometric cutting of silicon. The results show that the sampling methods permit the important regions of configuration space to be easily and rapidly identified, that convergence of the NN fit to the ab initio electronic structure database can be easily monitored, and that the interpolation accuracy of the NN fits is excellent, even for systems involving five atoms or more. The method permits a substantial computational speed and accuracy advantage over existing methods, is robust, and relatively easy to implement.

Structure and Dynamics of Nonionic Surfactant Aggregates in Layered Materials.

PubMed

Guégan, Régis; Veron, Emmanuel; Le Forestier, Lydie; Ogawa, Makoto; Cadars, Sylvian

2017-09-26

The aggregation of surfactants on solid surfaces as they are adsorbed from solution is the basis of numerous technological applications such as colloidal stabilization, ore flotation, and floor cleaning. The understanding of both the structure and the dynamics of surfactant aggregates applies to the development of alternative ways of preparing hybrid layered materials. For this purpose, we study the adsorption of the triethylene glycol mono n-decyl ether (C 10 E 3 ) nonionic surfactant onto a synthetic montmorillonite (Mt), an aluminosilicate clay mineral for organoclay preparation with important applications in materials sciences, catalysis, wastewater treatment, or as drug delivery. The aggregation mechanisms follow those observed in an analogous natural Mt, with the condensation of C 10 E 3 in a bilayer arrangement once the surfactant self-assembles in a lamellar phase beyond the critical micelle concentration, underlining the importance of the surfactant state in solution. Solid-state 1 H nuclear magnetic resonance (NMR) at fast magic-angle spinning (MAS) and high magnetic field combined with 1 H- 13 C correlation experiments and different types of 13 C NMR experiments selectively probes mobile or rigid moieties of C 10 E 3 in three different aggregate organizations: (i) a lateral monolayer, (ii) a lateral bilayer, and (iii) a normal bilayer. High-resolution 1 H{ 27 Al} CP- 1 H- 1 H spin diffusion experiments shed light on the proximities and dynamics of the different fragments and fractions of the intercalated surfactant molecules with respect to the Mt surface. 23 Na and 1 H NMR measurements combined with complementary NMR data, at both molecular and nanometer scales, precisely pointed out the location of the C 10 E 3 ethylene oxide hydrophilic group in close contact with the Mt surface interacting through ion-dipole or van der Waals interactions.

Enhancing the Damping Behavior of Dilute Zn-0.3Al Alloy by Equal Channel Angular Pressing

NASA Astrophysics Data System (ADS)

Demirtas, M.; Atli, K. C.; Yanar, H.; Purcek, G.

2017-06-01

The effect of grain size on the damping capacity of a dilute Zn-0.3Al alloy was investigated. It was found that there was a critical strain value (≈1 × 10-4) below and above which damping of Zn-0.3Al showed dynamic and static/dynamic hysteresis behavior, respectively. In the dynamic hysteresis region, damping resulted from viscous sliding of phase/grain boundaries, and decreasing grain size increased the damping capacity. While the quenched sample with 100 to 250 µm grain size showed very limited damping capacity with a loss factor tanδ of less than 0.007, decreasing grain size down to 2 µm by equal channel angular pressing (ECAP) increased tanδ to 0.100 in this region. Dynamic recrystallization due to microplasticity at the sample surface was proposed as the damping mechanism for the first time in the region where the alloy showed the combined aspects of dynamic and static hysteresis damping. In this region, tanδ increased with increasing strain amplitude, and ECAPed sample showed a tanδ value of 0.256 at a strain amplitude of 2 × 10-3, the highest recorded so far in the damping capacity-related studies on ZA alloys.

The unseen iceberg: Plant roots in arctic tundra

USGS Publications Warehouse

Iverson, Colleen M.; Sloan, Victoria L.; Sullivan, Patrick F.; Euskirchen, E.S.; McGuire, A. David; Norby, Richard J.; Walker, Anthony P.; Warren, Jeffrey M.; Wullschleger, Stan D.

2015-01-01

Plant roots play a critical role in ecosystem function in arctic tundra, but root dynamics in these ecosystems are poorly understood. To address this knowledge gap, we synthesized available literature on tundra roots, including their distribution, dynamics and contribution to ecosystem carbon and nutrient fluxes, and highlighted key aspects of their representation in terrestrial biosphere models. Across all tundra ecosystems, belowground plant biomass exceeded aboveground biomass, with the exception of polar desert tundra. Roots were shallowly distributed in the thin layer of soil that thaws annually, and were often found in surface organic soil horizons. Root traits – including distribution, chemistry, anatomy and resource partitioning – play an important role in controlling plant species competition, and therefore ecosystem carbon and nutrient fluxes, under changing climatic conditions, but have only been quantified for a small fraction of tundra plants. Further, the annual production and mortality of fine roots are key components of ecosystem processes in tundra, but extant data are sparse. Tundra root traits and dynamics should be the focus of future research efforts. Better representation of the dynamics and characteristics of tundra roots will improve the utility of models for the evaluation of the responses of tundra ecosystems to changing environmental conditions.

Specific cation interactions as the cause of slow dynamics and hysteresis in dye and perovskite solar cells: a small-perturbation study.

PubMed

Contreras, Lidia; Idígoras, Jesús; Todinova, Anna; Salado, Manuel; Kazim, Samrana; Ahmad, Shahzada; Anta, Juan A

2016-11-16

Hysteresis is one of the most remarkable features of perovskite solar cells; however, it is also present in other kinds of devices such as dye-sensitized solar cells. Hysteresis is due to underlying slow dynamic processes that interfere with the process of charge separation which depends critically on the selective contacts used. In this work we focus on the low-frequency (0.1-10 Hz) dynamics using impedance and intensity-modulated photocurrent spectroscopy and found that both perovskite solar cells (PSCs) and "viscous electrolyte containing" dye-sensitized solar cells (DSSCs) can be described on the same fundamental grounds. By comparing different electrolyte compositions in DSSCs and both methylammonium and formamidinium-based PSCs, we find a connection between the polar nature of the cations and the low-frequency component of these solar cells. There is evidence that in both cases ion transport and specific chemical interactions with the TiO 2 surface give rise to the slow dynamics and the hysteresis. This is mainly inferred from the slope of the capacitance vs. applied voltage which shows accumulation behavior for the formulations with higher dipole moments only.

Dynamic wetting of a liquid film in a vertical hydrophobic tube

NASA Astrophysics Data System (ADS)

Pigeonneau, Franck; Hayoun, Pascaline; Barthel, Etienne; Lequeux, Francois; Verneuil, Emilie; Letailleur, Alban; Teisseire, Jeremie; Saint-Gobain Recherche Collaboration; Espci-Physico-Chimie Des Polymeres Et Milieux Disperses Collaboration; Surface Du Verre Et Interfaces Collaboration

2016-11-01

The drop of a liquid plug through a tube occurs for instance in vending machine. In such a system, the fouling is linked to the creation of the liquid film at the rear of the liquid plug. Consequently, the conditions leading to the film creation are important to know. We study numerically the dynamic wetting transition of a liquid plug undergoing gravity on hydrophobic surface in a vertical tube. Using a lubrication theory, the liquid film thickness obeys the mass conservation equation with a volume flow rate depending on the relative motion of the tube, capillary and gravity forces. An ad hoc friction at the triple line is used to take into account the wetting dynamics. The lubrication equation is solved using a finite difference technique in space and a time integrator for stiff system with an adaptive time step. The numerical results are compared to experimental data. The complex film morphology due to the transients and the critical slowing down at the dynamic transition are reproduced. However, several experimental features are not predicted numerically especially the width of the transition. Our preliminary calculations suggest that the dispersion relation of the liquid film mode can explain the discrepancy.

Theory of multiple quantum dot formation in strained-layer heteroepitaxy

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

Du, Lin; Maroudas, Dimitrios, E-mail: maroudas@ecs.umass.edu

2016-07-11

We develop a theory for the experimentally observed formation of multiple quantum dots (QDs) in strained-layer heteroepitaxy based on surface morphological stability analysis of a coherently strained epitaxial thin film on a crystalline substrate. Using a fully nonlinear model of surface morphological evolution that accounts for a wetting potential contribution to the epitaxial film's free energy as well as surface diffusional anisotropy, we demonstrate the formation of multiple QD patterns in self-consistent dynamical simulations of the evolution of the epitaxial film surface perturbed from its planar state. The simulation predictions are supported by weakly nonlinear analysis of the epitaxial filmmore » surface morphological stability. We find that, in addition to the Stranski-Krastanow instability, long-wavelength perturbations from the planar film surface morphology can trigger a nonlinear instability, resulting in the splitting of a single QD into multiple QDs of smaller sizes, and predict the critical wavelength of the film surface perturbation for the onset of the nonlinear tip-splitting instability. The theory provides a fundamental interpretation for the observations of “QD pairs” or “double QDs” and other multiple QDs reported in experimental studies of epitaxial growth of semiconductor strained layers and sets the stage for precise engineering of tunable-size nanoscale surface features in strained-layer heteroepitaxy by exploiting film surface nonlinear, pattern forming phenomena.« less

Electroosmosis over charge-modulated surfaces with finite electrical double layer thicknesses: Asymptotic and numerical investigations

NASA Astrophysics Data System (ADS)

Ghosh, Uddipta; Mandal, Shubhadeep; Chakraborty, Suman

2017-06-01

Here we attempt to solve the fully coupled Poisson-Nernst-Planck-Navier-Stokes equations, to ascertain the influence of finite electric double layer (EDL) thickness on coupled charge and fluid dynamics over patterned charged surfaces. We go beyond the well-studied "weak-field" limit and obtain numerical solutions for a wide range of EDL thicknesses, applied electric field strengths, and the surface potentials. Asymptotic solutions to the coupled system are also derived using a combination of singular and regular perturbation, for thin EDLs and low surface potential, and good agreement between the two solutions is observed. Counterintuitively to common arguments, our analysis reveals that finite EDL thickness may either increase or decrease the "free-stream velocity" (equivalent to net throughput), depending on the strength of the applied electric field. We also unveil a critical EDL thickness for which the effect of finite EDL thickness on the free-stream velocity is the most prominent. Finally, we demonstrate that increasing the surface potential and the applied field tends to influence the overall flow patterns in the contrasting manners. These results may be of profound importance in developing a comprehensive theoretical basis for designing electro-osmotically actuated microfluidic mixtures.

ICESat Laser Altimeter Pointing, Ranging and Timing Calibration from Integrated Residual Analysis: A Summary of Early Mission Results

NASA Technical Reports Server (NTRS)

Lutchke, Scott B.; Rowlands, David D.; Harding, David J.; Bufton, Jack L.; Carabajal, Claudia C.; Williams, Teresa A.

2003-01-01

On January 12, 2003 the Ice, Cloud and land Elevation Satellite (ICESat) was successfUlly placed into orbit. The ICESat mission carries the Geoscience Laser Altimeter System (GLAS), which consists of three near-infrared lasers that operate at 40 short pulses per second. The instrument has collected precise elevation measurements of the ice sheets, sea ice roughness and thickness, ocean and land surface elevations and surface reflectivity. The accurate geolocation of GLAS's surface returns, the spots from which the laser energy reflects on the Earth's surface, is a critical issue in the scientific application of these data Pointing, ranging, timing and orbit errors must be compensated to accurately geolocate the laser altimeter surface returns. Towards this end, the laser range observations can be fully exploited in an integrated residual analysis to accurately calibrate these geolocation/instrument parameters. Early mission ICESat data have been simultaneously processed as direct altimetry from ocean sweeps along with dynamic crossovers resulting in a preliminary calibration of laser pointing, ranging and timing. The calibration methodology and early mission analysis results are summarized in this paper along with future calibration activities

Variant surface glycoprotein density defines an immune evasion threshold for African trypanosomes undergoing antigenic variation.

PubMed

Pinger, Jason; Chowdhury, Shanin; Papavasiliou, F Nina

2017-10-10

Trypanosoma brucei is a protozoan parasite that evades its host's adaptive immune response by repeatedly replacing its dense variant surface glycoprotein (VSG) coat from its large genomic VSG repertoire. While the mechanisms regulating VSG gene expression and diversification have been examined extensively, the dynamics of VSG coat replacement at the protein level, and the impact of this process on successful immune evasion, remain unclear. Here we evaluate the rate of VSG replacement at the trypanosome surface following a genetic VSG switch, and show that full coat replacement requires several days to complete. Using in vivo infection assays, we demonstrate that parasites undergoing coat replacement are only vulnerable to clearance via early IgM antibodies for a limited time. Finally, we show that IgM loses its ability to mediate trypanosome clearance at unexpectedly early stages of coat replacement based on a critical density threshold of its cognate VSGs on the parasite surface. Trypanosoma brucei evades the host immune system through replacement of a variant surface glycoprotein (VSG) coat. Here, the authors show that VSG replacement takes several days to complete, and the parasite is vulnerable to the host immune system for a short period of time during the process.

How deep can surface signals be traced in the critical zone? Merging biodiversity with biogeochemistry research in a central German Muschelkalk landscape

NASA Astrophysics Data System (ADS)

Küsel, Kirsten; Totsche, Kai; Trumbore, Susan; Lehmann, Robert; Steinhäuser, Christine; Herrmann, Martina

2016-04-01

The Earth's Critical Zone (CZ) is a thin living layer connecting atmosphere and geosphere, including aquifers. Humans live in the CZ and benefit from the vital supporting services it provides. However, the CZ is increasingly impacted by human activities including land and resource use, pollution and climate change. Recent interest in uniting the many disciplines studying this complex domain has initiated an international network of research infrastructure platforms that allow access to the CZ in a range of geologic settings. In this paper a new such infrastructure platform associated with the Collaborative Research Center AquaDiva is described, that uniquely seeks to combine CZ research with detailed investigation of the functional biodiversity of the subsurface. Overall, AquaDiva aims to test hypotheses about how water connects surface conditions set by land cover and land management to the biota and biogeochemical functions in the subsurface. With long-term and continuous observations, hypotheses about how seasonal variations and extreme events at the surface impact subsurface processes, community structure and function, are tested. AquaDiva has established the Hainich Critical Zone Exploratory (CZE) in central Germany in an alkaline geological setting of German Triassic Muschelkalk formations. The Hainich CZE includes specialized monitoring wells to access the vadose zone and two main groundwater complexes in limestone and marlstone parent materials along a ~6 km transect spanning forest, pasture and agricultural land uses. Initial results demonstrate fundamental differences in the biota and biogeochemistry of the two aquifer complexes that trace back to the land uses in their respective recharge areas. They also show the importance of antecedent conditions on the impact of precipitation events on responses in terms of groundwater dynamics, chemistry and ecology. Thus we find signals of surface land use and events can be detected in the subsurface CZ. Future research will expand to a second CZE in contrasting siliciclastic parent rock, to evaluate the relative importance of parent material lithology versus surface conditions for the emergent characteristics of the subsurface CZ and biodiversity. The Hainich CZE is open to researchers who bring new questions that the research platform can help answer.

Phoebe: A Surface Dominated by Water

NASA Astrophysics Data System (ADS)

Fraser, Wesley C.; Brown, Michael E.

2018-07-01

The Saturnian irregular satellite, Phoebe, can be broadly described as a water-rich rock. This object, which presumably originated from the same primordial population shared by the dynamically excited Kuiper Belt Objects (KBOs), has received high-resolution spectral imaging during the Cassini flyby. We present a new analysis of the Visual Infrared Mapping Spectrometer observations of Phoebe, which critically, includes a geometry correction routine that enables pixel-by-pixel mapping of visible and infrared spectral cubes directly onto the Phoebe shape model, even when an image exhibits significant trailing errors. The result of our re-analysis is a successful match of 46 images, producing spectral maps covering the majority of Phoebe’s surface, roughly a third of which is imaged by high-resolution observations (<22 km per pixel resolution). There is no spot on Phoebe’s surface that is absent of water absorption. The regions richest in water are clearly associated with the Jason and south pole impact basins. Phoebe exhibits only three spectral types, and a water–ice concentration that correlates with physical depth and visible albedo. The water-rich and water-poor regions exhibit significantly different crater size frequency distributions and different large crater morphologies. We propose that Phoebe once had a water-poor surface whose water–ice concentration was enhanced by basin-forming impacts that exposed richer subsurface layers. The range of Phoebe’s water–ice absorption spans the same range exhibited by dynamically excited KBOs. The common water–ice absorption depths and primordial origins, and the association of Phoebe’s water-rich regions with its impact basins, suggests the plausible idea that KBOs also originated with water-poor surfaces that were enhanced through stochastic collisional modification.

Traction Drive Inverter Cooling with Submerged Liquid Jet Impingement on Microfinned Enhanced Surfaces (Presentation)

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

Waye, S.; Narumanchi, S.; Moreno, G.

Jet impingement is one means to improve thermal management for power electronics in electric-drive traction vehicles. Jet impingement on microfin-enhanced surfaces further augments heat transfer and thermal performance. A channel flow heat exchanger from a commercial inverter was characterized as a baseline system for comparison with two new prototype designs using liquid jet impingement on plain and microfinned enhanced surfaces. The submerged jets can target areas with the highest heat flux to provide local cooling, such as areas under insulated-gate bipolar transistors and diode devices. Low power experiments, where four diodes were powered, dissipated 105 W of heat and weremore » used to validate computational fluid dynamics modeling of the baseline and prototype designs. Experiments and modeling used typical automotive flow rates using water-ethylene glycol as a coolant (50%-50% by volume). The computational fluid dynamics model was used to predict full inverter power heat dissipation. The channel flow and jet impingement configurations were tested at full inverter power of 40 to 100 kW (output power) on a dynamometer, translating to an approximate heat dissipation of 1 to 2 kW. With jet impingement, the cold plate material is not critical for the thermal pathway. A high-temperature plastic was used that could eventually be injection molded or formed, with the jets formed from a basic aluminum plate with orifices acting as nozzles. Long-term reliability of the jet nozzles and impingement on enhanced surfaces was examined. For jet impingement on microfinned surfaces, thermal performance increased 17%. Along with a weight reduction of approximately 3 kg, the specific power (kW/kg) increased by 36%, with an increase in power density (kW/L) of 12% compared with the baseline channel flow configuration.« less

Influence of water table fluctuations on subsurface methane dynamics and surface fluxes in seasonally flooded subtropical pastures.

NASA Astrophysics Data System (ADS)

Chamberlain, S.; Gomez-Casanovas, N.; Boughton, E.; Keel, E.; Walter, M. T.; Groffman, P. M.; Sparks, J. P.

2015-12-01

Seasonally flooded subtropical pastures are major sources of methane (CH4), and periodic flooding drives complex emission dynamics from these ecosystems. Understanding the mechanisms of belowground CH4 dynamics driving soil surface fluxes is needed to better understand emissions from these systems and their response to environmental change. We investigated subsurface CH4 dynamics in relation to net surface fluxes using laboratory water table manipulations and compared these results to eddy covariance-measured fluxes to link within-soil CH4 dynamics to observed ecosystem fluxes. Pronounced hysteresis was observed in ecosystem CH4 fluxes during precipitation driven flooding events. This dynamic was replicated in mesocosm experiments, with maximum CH4 fluxes observed during periods of water table recession. Hysteresis dynamics were best explained by oxygen dynamics during precipitation recharge events and the oxidation of CH4 produced in organic soil horizons during water table recession. We observed distinct CH4 dynamics between surface organic and deeper mineral soil horizons. In surface organic soil horizons, high levels of CH4 production were temporally linked to observed surface emissions. In contrast, high concentrations of CH4 observed in deeper mineral soils did not contribute to surface fluxes. Methane production potentials in surface organic soils were orders of magnitude higher than in mineral soils, suggesting that over longer flooding regimes CH4 produced in mineral horizons is unlikely to be a significant component of net surface emissions. Our results demonstrate that distinct CH4 dynamics may be stratified by depth, and flooding of the near-surface organic soils drives the high magnitude CH4 fluxes observed from subtropical pastures. These results suggest that relatively small changes in pasture water table dynamics can drive large changes in net CH4 emissions if surface organic soils remain saturated over longer time scales.

Plasmodium sporozoite motility is modulated by the turnover of discrete adhesion sites.

PubMed

Münter, Sylvia; Sabass, Benedikt; Selhuber-Unkel, Christine; Kudryashev, Mikhail; Hegge, Stephan; Engel, Ulrike; Spatz, Joachim P; Matuschewski, Kai; Schwarz, Ulrich S; Frischknecht, Friedrich

2009-12-17

Sporozoites are the highly motile stages of the malaria parasite injected into the host's skin during a mosquito bite. In order to navigate inside of the host, sporozoites rely on actin-dependent gliding motility. Although the major components of the gliding machinery are known, the spatiotemporal dynamics of the proteins and the underlying mechanism powering forward locomotion remain unclear. Here, we show that sporozoite motility is characterized by a continuous sequence of stick-and-slip phases. Reflection interference contrast and traction force microscopy identified the repeated turnover of discrete adhesion sites as the underlying mechanism of this substrate-dependent type of motility. Transient forces correlated with the formation and rupture of distinct substrate contact sites and were dependent on actin dynamics. Further, we show that the essential sporozoite surface protein TRAP is critical for the regulated formation and rupture of adhesion sites but is dispensable for retrograde capping.

Methods for simulation-based analysis of fluid-structure interaction.

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

Barone, Matthew Franklin; Payne, Jeffrey L.

2005-10-01

Methods for analysis of fluid-structure interaction using high fidelity simulations are critically reviewed. First, a literature review of modern numerical techniques for simulation of aeroelastic phenomena is presented. The review focuses on methods contained within the arbitrary Lagrangian-Eulerian (ALE) framework for coupling computational fluid dynamics codes to computational structural mechanics codes. The review treats mesh movement algorithms, the role of the geometric conservation law, time advancement schemes, wetted surface interface strategies, and some representative applications. The complexity and computational expense of coupled Navier-Stokes/structural dynamics simulations points to the need for reduced order modeling to facilitate parametric analysis. The proper orthogonalmore » decomposition (POD)/Galerkin projection approach for building a reduced order model (ROM) is presented, along with ideas for extension of the methodology to allow construction of ROMs based on data generated from ALE simulations.« less

Protein bio-corona: critical issue in immune nanotoxicology.

PubMed

Neagu, Monica; Piperigkou, Zoi; Karamanou, Konstantina; Engin, Ayse Basak; Docea, Anca Oana; Constantin, Carolina; Negrei, Carolina; Nikitovic, Dragana; Tsatsakis, Aristidis

2017-03-01

With the expansion of the nanomedicine field, the knowledge focusing on the behavior of nanoparticles in the biological milieu has rapidly escalated. Upon introduction to a complex biological system, nanomaterials dynamically interact with all the encountered biomolecules and form the protein "bio-corona." The decoration with these surface biomolecules endows nanoparticles with new properties. The present review will address updates of the protein bio-corona characteristics as influenced by nanoparticle's physicochemical properties and by the particularities of the encountered biological milieu. Undeniably, bio-corona generation influences the efficacy of the nanodrug and guides the actions of innate and adaptive immunity. Exploiting the dynamic process of protein bio-corona development in combination with the new engineered horizons of drugs linked to nanoparticles could lead to innovative functional nanotherapies. Therefore, bio-medical nanotechnologies should focus on the interactions of nanoparticles with the immune system for both safety and efficacy reasons.

Distributed control of large space antennas

NASA Technical Reports Server (NTRS)

Cameron, J. M.; Hamidi, M.; Lin, Y. H.; Wang, S. J.

1983-01-01

A systematic way to choose control design parameters and to evaluate performance for large space antennas is presented. The structural dynamics and control properties for a Hoop and Column Antenna and a Wrap-Rib Antenna are characterized. Some results of the effects of model parameter uncertainties to the stability, surface accuracy, and pointing errors are presented. Critical dynamics and control problems for these antenna configurations are identified and potential solutions are discussed. It was concluded that structural uncertainties and model error can cause serious performance deterioration and can even destabilize the controllers. For the hoop and column antenna, large hoop and long meat and the lack of stiffness between the two substructures result in low structural frequencies. Performance can be improved if this design can be strengthened. The two-site control system is more robust than either single-site control systems for the hoop and column antenna.

Grain-Boundary Roughening in Colloidal Crystals

NASA Astrophysics Data System (ADS)

Liao, Maijia; Xiao, Xiao; Chui, Siu Tat; Han, Yilong

2018-04-01

In polycrystals, faceted grains may become round and rough at high temperatures. Such a roughening phenomenon remains poorly understood, partly because of the lack of experimental observations. Here, we directly visualize the roughening dynamics of grain boundaries inside thin-film colloidal crystals at the single-particle level using video microscopy. The thermal fluctuations of grain boundaries appear to exhibit both static and dynamic critical-like behaviors, in contrast to the Kosterlitz-Thouless transition in typical free surface roughening. The roughening point shifts towards the melting point as the grain boundary's mismatch angle θ decreases and is preempted by melting when θ <18 ° . Counterintuitively, the amplitude of grain-boundary fluctuations decreases above the roughening point. This could be attributed to the observed widening of the grain boundary. The roughening strongly affects the mobility of the grain boundary but not the stiffness. These results provide new guidance for the control of microstructures in polycrystals and further development of roughening theory.

How To Functionalize Ceramics by Perfluoroalkylsilanes for Membrane Separation Process? Properties and Application of Hydrophobized Ceramic Membranes.

PubMed

Kujawa, Joanna; Cerneaux, Sophie; Kujawski, Wojciech; Bryjak, Marek; Kujawski, Jan

2016-03-23

The combination of microscopic (atomic force microscopy and scanning electron microscopy) and goniometric (static and dynamic measurements) techniques, and surface characterization (surface free energy determination, critical surface tension, liquid entry pressure, hydraulic permeability) was implemented to discuss the influence of perfluoroalkylsilanes structure and grafting time on the physicochemistry of the created hydrophobic surfaces on the titania ceramic membranes of 5 kD and 300 kD. The impact of molecular structure of perfluoroalkylsilanes modifiers (possessing from 6 to 12 carbon atoms in the fluorinated part of the alkyl chain) and the time of the functionalization process in the range of 5 to 35 h was studied. Based on the scanning electron microscopy with energy-dispersive X-ray spectroscopy, it was found that the localization of grafting molecules depends on the membrane pore size (5 kD or 300 kD). In the case of 5 kD titania membranes, modifiers are attached mainly on the surface and only partially inside the membrane pores, whereas, for 300 kD membranes, the perfluoroalkylsilanes molecules are present within the whole porous structure of the membranes. The application of 4 various types of PFAS molecules enabled for interesting observations and remarks. It was explained how to obtain ceramic membrane surfaces with controlled material (contact angle, roughness, contact angle hysteresis) and separation properties. Highly hydrophobic surfaces with low values of contact angle hysteresis and low roughness were obtained. These surfaces possessed also low values of critical surface tension, which means that surfaces are highly resistant to wetting. This finding is crucial in membrane applicability in separation processes. The obtained and characterized hydrophobic membranes were subsequently applied in air-gap membrane distillation processes. All membranes were very efficient in MD processes, showing good transport and selective properties (∼99% of NaCl salt rejection). Depending on the membrane pore size and used modifiers, the permeate flux was in the range of 0.5-4.5 kg·m(-2)·h(-1) and 0.3-4.2 kg·m(-2)·h(-1) for 5 kD and 300 kD membranes, respectively.

Linking Weathering, Rock Moisture Dynamics, Geochemistry, Runoff, Vegetation and Atmospheric Processes through the Critical Zone: Graduate Student led Research at the Eel River Critical Zone Observatory

NASA Astrophysics Data System (ADS)

Dietrich, W. E.

2014-12-01

In the Eel River Critical Zone Observatory lies Rivendell, a heavily-instrumented steep forested hillslope underlain by nearly vertically dipping argillite interbedded with sandstone. Under this convex hillslope lies "Zb", the transition to fresh bedrock, which varies from less than 6 m below the surface near the channel to 20 m at the divide. Rempe and Dietrich (2014, PNAS) show that the Zb profile can be predicted from the assumption that weathering occurs when drainage is induced in the uplifting fresh bedrock under hillslopes by lateral head gradients driven by channel incision at the hillslope boundary. Infiltrating winter precipitation is impeded at the lower conductivity boundary at Zb, generating perched groundwater that dynamically pulses water laterally to the channel, controlling stream runoff. Below the soil and above the water table lies an unsaturated zone through which all recharge to the perched groundwater (and thus all runoff to channels) occurs. It is this zone and the waters in them that profoundly affect critical zone processes. In our seasonally dry environment, the first rains penetrate past the soil and moisten the underlying weathered bedrock (Salve et al., 2012, WRR). It takes about 200 to 400 mm of cumulative rain, however, before the underlying groundwater rises significantly. Oshun et al (in review) show that by this cumulative rainfall the average of the wide-ranging isotopic signature of rain reaches a nearly constant average annual value. Consequently, the recharging perched groundwater shows only minor temporal isotopic variation. Kim et al, (2014, GCA) find that the winter high-flow groundwater chemistry is controlled by relatively fast-reacting cation exchange processes, likely occurring in transit in the unsaturated zone. Oshun also demonstrates that the Douglas fir rely on this rock moisture as a water source, while the broadleaf trees (oaks and madrone) use mostly soil moisture. Link et al (2014 WRR) show that Doug fir declines in transpiration rate significantly compared to the madrone during summer high water stress periods, with may induce feedbacks from the forest to atmospheric temperature and humidity. Collectively these studies spotlight the seasonally dynamic unsaturated zone in the weathered bedrock beneath the soil as key to understanding critical zone processes.

Dynamics of Phenanthrenequinone on Carbon Nano-Onion Surfaces Probed by Quasielastic Neutron Scattering

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

Anjos, Daniela M; Mamontov, Eugene; Brown, Gilbert M

We used quasielastic neutron scattering (QENS) to study the dynamics of phenanthrenequinone (PQ) on the surface of onion-like carbon (OLC), or so called carbon onions, as a function of surface coverage and temperature. For both the high- and low-coverage samples, we observed two diffusion processes; a faster process and nearly an order of magnitude slower process. On the high-coverage surface, the slow diffusion process is of long-range translational character, whereas the fast diffusion process is spatially localized on the length scale of ~ 4.7 . On the low-coverage surface, both diffusion processes are spatially localized; on the same length scalemore » of ~ 4.7 for the fast diffusion and a somewhat larger length scale for the slow diffusion. Arrhenius temperature dependence is observed except for the long-range diffusion on the high-coverage surface. We attribute the fast diffusion process to the generic localized in-cage dynamics of PQ molecules, and the slow diffusion process to the long-range translational dynamics of PQ molecules, which, depending on the coverage, may be either spatially restricted, or long-range. On the low-coverage surface, uniform surface coverage is not attained, and the PQ molecules experience the effect of spatial constraints on their long-range translational dynamics. Unexpectedly, the dynamics of PQ molecules on OLC as a function of temperature and surface coverage bears qualitative resemblance to the dynamics of water molecules on oxide surfaces, including practically temperature-independent residence times for the low-coverage surface. The dynamics features that we observed may be universal across different classes of surface adsorbates.« less

Continuous monitoring bed-level dynamics on an intertidal flat: introducing novel stand-alone high-resolution SED-sensors

NASA Astrophysics Data System (ADS)

Hu, Zhan; Lenting, Walther; van der Wal, Daphne; Bouma, Tjeerd

2015-04-01

Tidal flat morphology is continuously shaped by hydrodynamic force, resulting in highly dynamic bed elevations. The knowledge of short-term bed-level changes is important both for understanding sediment transport processes as well as for assessing critical ecological processes such as e.g. vegetation recruitment chances on tidal flats. Due to the labour involved, manual discontinuous measurements lack the ability to continuously monitor bed-elevation changes. Existing methods for automated continuous monitoring of bed-level changes lack vertical accuracy (e.g., Photo-Electronic Erosion Pin sensor and resistive rod) or limited in spatial application by using expensive technology (e.g., acoustic bed level sensors). A method provides sufficient accuracy with a reasonable cost is needed. In light of this, a high-accuracy sensor (2 mm) for continuously measuring short-term Surface-Elevation Dynamics (SED-sensor) was developed. This SED-sensor makes use of photovoltaic cells and operates stand-alone using internal power supply and data logging system. The unit cost and the labour in deployments is therefore reduced, which facilitates monitoring with a number of units. In this study, the performance of a group of SED-sensors is tested against data obtained with precise manual measurements using traditional Sediment Erosion Bars (SEB). An excellent agreement between the two methods was obtained, indicating the accuracy and precision of the SED-sensors. Furthermore, to demonstrate how the SED-sensors can be used for measuring short-term bed-level dynamics, two SED-sensors were deployed for 1 month at two sites with contrasting wave exposure conditions. Daily bed-level changes were obtained including a severe storm erosion event. The difference in observed bed-level dynamics at both sites was statistically explained by their different hydrodynamic conditions. Thus, the stand-alone SED-sensor can be applied to monitor sediment surface dynamics with high vertical and temporal resolutions, which provides opportunities to pinpoint morphological responses to various forces in a number of environments (e.g. tidal flats, beaches, rivers and dunes).

Studies of the Wetting of Gaps in Weightlessness

NASA Astrophysics Data System (ADS)

Collicott, Steven H.; Chen, Yongkang

2010-10-01

The geometry of a thin sheet metal vane terminating near a wall in a surface tension propellant management device (PMD) is common in devices designed by various people. A research program into the capillary fluid physics of the common vane-wall gap began in 1998 with the arrival of the second author at the School of Aeronautics and Astronautics at Purdue University. Drop tower experiments, Surface Evolver computations, and analysis were combined to explore the details of the fluid behavior in the vane-wall gap geometry. Results of four vane-wall gap experiment topics: critical wetting, advance rates, sensitivity to vane orientation, and effect of imperfect initial conditions, are discussed here. This work led to a desire by Weislogel to incorporate this type of geometry into his "Capillary Fluids Experiment" (CFE) that operated flawlessly on the International Space Station in 2006 and 2007. It is found that the wetting of vane-wall gaps is predicted correctly through use of the critical wetting analysis of Concus and Finn. Furthermore, the dynamics of the wetting flows are found to have scaling of flow rates versus time similar to those known for capillary advances in solid corners. In some cases, a seemingly misaligned vane is found to have more rapid capillary advance than for the same vane and gap but with the vane normal to the tank wall. An initial drop tower study of sensitivity to imperfect initial conditions shows that a critical wetting flow is largely immune to small tilts in the initial test orientation but that larger errors can be seen in cases that lack critical wetting and in the measurements of the time history of the meniscus minimum point.